USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 CYS SG : rot -138:sc= 0.315 USER MOD Set 1.2: A 122 CYS SG : rot -2:sc= 0.743 USER MOD Set 2.1: A 85 TYR OH : rot 165:sc= 0.191 USER MOD Set 2.2: A 87 CYS SG : rot -126:sc= 0.531 USER MOD Set 2.3: A 90 CYS SG : rot 165:sc= 0.45 USER MOD Set 2.4: A 101 HIS : no HE2:sc= -0.139 K(o=-1,f=-1.9) USER MOD Set 2.5: A 108 CYS SG : rot -136:sc= -2.04! USER MOD Set 3.1: A 102 CYS SG : rot -146:sc= 0.971 USER MOD Set 3.2: A 105 CYS SG : rot 125:sc= 0.41 USER MOD Set 3.3: A 118 HIS : no HD1:sc= 0.108 K(o=0.1,f=-0.78) USER MOD Set 3.4: A 125 CYS SG : rot 14:sc= -1.39 USER MOD Set 4.1: A 33 CYS SG : rot 61:sc= -2.58! USER MOD Set 4.2: A 34 CYS SG : rot -164:sc= 0.489 USER MOD Set 4.3: A 44 HIS : no HD1:sc= -2.35 K(o=-4.4,f=-5.4!) USER MOD Set 4.4: A 50 HIS : no HD1:sc= 0.0186 K(o=-4.4,f=-4.9) USER MOD Set 5.1: A 20 CYS SG : rot -57:sc= 1.21 USER MOD Set 5.2: A 22 HIS : no HD1:sc=-0.00717 K(o=-1.4,f=-2.2) USER MOD Set 5.3: A 40 CYS SG : rot 169:sc= -2.47 USER MOD Set 5.4: A 43 CYS SG : rot 173:sc= -0.12 USER MOD Set 6.1: A 27 CYS SG : rot 170:sc= -0.133 USER MOD Set 6.2: A 62 CYS SG : rot -124:sc= -0.151 USER MOD Set 6.3: A 64 ASN : amide:sc= 1.4 K(o=-4.1,f=-10!) USER MOD Set 6.4: A 65 CYS SG : rot -109:sc= -0.916 USER MOD Set 6.5: A 69 GLN : amide:sc= -3.93! C(o=-4.1!,f=-3.3!) USER MOD Set 6.6: A 75 CYS SG : rot 158:sc= -1.92! USER MOD Set 6.7: A 78 CYS SG : rot -149:sc= 1.6 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= 0.585 (180deg=0.412) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 30:sc= -0.193 USER MOD Single : A 39 THR OG1 : rot -150:sc= -0.214 USER MOD Single : A 46 ASN : amide:sc= -0.53 K(o=-0.53,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.595 K(o=0.59,f=0) USER MOD Single : A 51 GLN : amide:sc= -1.99! K(o=-2!,f=0.41) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.37! C(o=-2.4!,f=-5.2!) USER MOD Single : A 67 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.839) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.175 X(o=0.17,f=-0.17) USER MOD Single : A 73 GLN : amide:sc= 0.115 K(o=0.11,f=-0.39) 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 80 THR OG1 : rot 150:sc= -1.13 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.827 K(o=-0.83,f=-2.7) USER MOD Single : A 95 LYS NZ :NH3+ -159:sc= 0.405 (180deg=0.222) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.0453 (180deg=-0.236) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= 0.412 (180deg=0.326) USER MOD Single : A 99 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.24) USER MOD Single : A 100 TYR OH : rot -52:sc= 0.599 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0317) USER MOD Single : A 123 ASN : amide:sc=-0.00945 K(o=-0.0094,f=-1.6!) USER MOD Single : A 128 MET CE :methyl 169:sc= -0.25 (180deg=-0.413) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -9.459 9.608 -9.238 1.00 0.00 N ATOM 232 CA ARG A 18 -8.140 9.329 -8.661 1.00 0.00 C ATOM 233 C ARG A 18 -8.319 8.458 -7.402 1.00 0.00 C ATOM 234 O ARG A 18 -8.581 8.943 -6.293 1.00 0.00 O ATOM 235 CB ARG A 18 -7.290 10.620 -8.412 1.00 0.00 C ATOM 236 CG ARG A 18 -7.815 11.660 -7.380 1.00 0.00 C ATOM 237 CD ARG A 18 -9.109 12.368 -7.813 1.00 0.00 C ATOM 238 NE ARG A 18 -8.927 13.183 -9.029 1.00 0.00 N ATOM 239 CZ ARG A 18 -9.876 13.438 -9.945 1.00 0.00 C ATOM 240 NH1 ARG A 18 -11.097 12.922 -9.829 1.00 0.00 N ATOM 241 NH2 ARG A 18 -9.592 14.218 -10.976 1.00 0.00 N ATOM 0 HA ARG A 18 -7.551 8.768 -9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.296 10.307 -8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.172 11.130 -9.368 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.988 11.157 -6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.042 12.409 -7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.885 11.623 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.460 13.005 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.004 13.587 -9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.324 12.323 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.806 13.126 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.659 14.620 -11.070 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.306 14.417 -11.677 1.00 0.00 H new ATOM 255 N GLY A 19 -8.249 7.141 -7.628 1.00 0.00 N ATOM 256 CA GLY A 19 -8.408 6.143 -6.577 1.00 0.00 C ATOM 257 C GLY A 19 -8.833 4.791 -7.124 1.00 0.00 C ATOM 258 O GLY A 19 -9.042 4.624 -8.336 1.00 0.00 O ATOM 0 H GLY A 19 -8.080 6.741 -8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.467 6.034 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.150 6.491 -5.858 1.00 0.00 H new ATOM 262 N CYS A 20 -8.938 3.827 -6.214 1.00 0.00 N ATOM 263 CA CYS A 20 -9.455 2.480 -6.484 1.00 0.00 C ATOM 264 C CYS A 20 -10.312 2.100 -5.270 1.00 0.00 C ATOM 265 O CYS A 20 -10.044 2.578 -4.161 1.00 0.00 O ATOM 266 CB CYS A 20 -8.279 1.473 -6.697 1.00 0.00 C ATOM 267 SG CYS A 20 -8.699 -0.073 -7.589 1.00 0.00 S ATOM 0 H CYS A 20 -8.660 3.960 -5.242 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.049 2.452 -7.397 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.486 1.982 -7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.873 1.207 -5.721 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.653 -0.692 -6.959 1.00 0.00 H new ATOM 272 N GLU A 21 -11.342 1.254 -5.465 1.00 0.00 N ATOM 273 CA GLU A 21 -12.235 0.809 -4.356 1.00 0.00 C ATOM 274 C GLU A 21 -11.450 0.017 -3.270 1.00 0.00 C ATOM 275 O GLU A 21 -11.939 -0.170 -2.150 1.00 0.00 O ATOM 276 CB GLU A 21 -13.453 -0.018 -4.893 1.00 0.00 C ATOM 277 CG GLU A 21 -13.145 -1.426 -5.476 1.00 0.00 C ATOM 278 CD GLU A 21 -12.304 -1.399 -6.764 1.00 0.00 C ATOM 279 OE1 GLU A 21 -11.062 -1.396 -6.670 1.00 0.00 O ATOM 280 OE2 GLU A 21 -12.883 -1.354 -7.875 1.00 0.00 O ATOM 0 H GLU A 21 -11.583 0.861 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.631 1.708 -3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.168 -0.137 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.947 0.569 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.619 -2.013 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.086 -1.938 -5.679 1.00 0.00 H new ATOM 287 N HIS A 22 -10.228 -0.438 -3.627 1.00 0.00 N ATOM 288 CA HIS A 22 -9.286 -1.076 -2.698 1.00 0.00 C ATOM 289 C HIS A 22 -8.520 -0.014 -1.867 1.00 0.00 C ATOM 290 O HIS A 22 -8.534 -0.058 -0.629 1.00 0.00 O ATOM 291 CB HIS A 22 -8.302 -1.972 -3.503 1.00 0.00 C ATOM 292 CG HIS A 22 -8.991 -3.059 -4.297 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.888 -3.148 -5.670 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.809 -4.045 -3.858 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.643 -4.170 -6.020 1.00 0.00 C ATOM 296 NE2 HIS A 22 -10.220 -4.742 -4.960 1.00 0.00 N ATOM 0 H HIS A 22 -9.870 -0.369 -4.580 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.841 -1.697 -1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.726 -1.345 -4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.593 -2.430 -2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.084 -4.243 -2.833 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.778 -4.504 -7.038 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.848 -5.546 -4.971 1.00 0.00 H new ATOM 304 N TYR A 23 -7.858 0.944 -2.555 1.00 0.00 N ATOM 305 CA TYR A 23 -7.053 2.008 -1.898 1.00 0.00 C ATOM 306 C TYR A 23 -7.501 3.383 -2.414 1.00 0.00 C ATOM 307 O TYR A 23 -7.375 3.668 -3.614 1.00 0.00 O ATOM 308 CB TYR A 23 -5.533 1.829 -2.178 1.00 0.00 C ATOM 309 CG TYR A 23 -4.932 0.492 -1.718 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.430 0.322 -0.421 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.861 -0.596 -2.585 1.00 0.00 C ATOM 312 CE1 TYR A 23 -3.887 -0.883 -0.016 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.325 -1.799 -2.186 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.837 -1.942 -0.902 1.00 0.00 C ATOM 315 OH TYR A 23 -3.293 -3.145 -0.502 1.00 0.00 O ATOM 0 H TYR A 23 -7.864 1.005 -3.573 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.215 1.935 -0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.363 1.935 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.993 2.639 -1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.468 1.147 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.235 -0.493 -3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.504 -0.996 0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.286 -2.629 -2.875 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.335 -3.785 -1.243 1.00 0.00 H new ATOM 325 N ASP A 24 -8.013 4.221 -1.503 1.00 0.00 N ATOM 326 CA ASP A 24 -8.442 5.598 -1.808 1.00 0.00 C ATOM 327 C ASP A 24 -7.216 6.526 -1.783 1.00 0.00 C ATOM 328 O ASP A 24 -6.849 7.064 -0.729 1.00 0.00 O ATOM 329 CB ASP A 24 -9.512 6.075 -0.780 1.00 0.00 C ATOM 330 CG ASP A 24 -10.883 5.379 -0.892 1.00 0.00 C ATOM 331 OD1 ASP A 24 -10.932 4.156 -1.145 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.923 6.047 -0.678 1.00 0.00 O ATOM 0 H ASP A 24 -8.143 3.963 -0.525 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.893 5.626 -2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.123 5.917 0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.656 7.149 -0.901 1.00 0.00 H new ATOM 337 N ARG A 25 -6.555 6.649 -2.944 1.00 0.00 N ATOM 338 CA ARG A 25 -5.331 7.450 -3.107 1.00 0.00 C ATOM 339 C ARG A 25 -5.292 8.100 -4.491 1.00 0.00 C ATOM 340 O ARG A 25 -5.721 7.495 -5.478 1.00 0.00 O ATOM 341 CB ARG A 25 -4.080 6.562 -2.874 1.00 0.00 C ATOM 342 CG ARG A 25 -4.061 5.227 -3.641 1.00 0.00 C ATOM 343 CD ARG A 25 -2.869 4.326 -3.262 1.00 0.00 C ATOM 344 NE ARG A 25 -1.572 4.846 -3.741 1.00 0.00 N ATOM 345 CZ ARG A 25 -0.371 4.348 -3.398 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.267 3.432 -2.439 1.00 0.00 N ATOM 347 NH2 ARG A 25 0.725 4.780 -4.014 1.00 0.00 N ATOM 0 H ARG A 25 -6.857 6.191 -3.804 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.331 8.248 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.194 7.133 -3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.001 6.349 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.990 4.691 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.028 5.431 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.833 4.219 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.029 3.330 -3.675 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.589 5.642 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.103 3.101 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.649 3.060 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.654 5.488 -4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.637 4.404 -3.756 1.00 0.00 H new ATOM 361 N GLY A 26 -4.729 9.318 -4.554 1.00 0.00 N ATOM 362 CA GLY A 26 -4.601 10.062 -5.807 1.00 0.00 C ATOM 363 C GLY A 26 -3.374 9.674 -6.629 1.00 0.00 C ATOM 364 O GLY A 26 -2.970 10.423 -7.533 1.00 0.00 O ATOM 0 H GLY A 26 -4.354 9.807 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.496 9.901 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.555 11.128 -5.583 1.00 0.00 H new ATOM 368 N CYS A 27 -2.800 8.486 -6.346 1.00 0.00 N ATOM 369 CA CYS A 27 -1.582 7.984 -6.998 1.00 0.00 C ATOM 370 C CYS A 27 -1.601 6.443 -7.088 1.00 0.00 C ATOM 371 O CYS A 27 -2.325 5.775 -6.351 1.00 0.00 O ATOM 372 CB CYS A 27 -0.334 8.487 -6.243 1.00 0.00 C ATOM 373 SG CYS A 27 -0.080 10.279 -6.345 1.00 0.00 S ATOM 0 H CYS A 27 -3.177 7.844 -5.649 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.545 8.369 -8.017 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.417 8.202 -5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.546 7.983 -6.641 1.00 0.00 H new ATOM 0 HG CYS A 27 0.857 10.632 -5.516 1.00 0.00 H new ATOM 379 N LEU A 28 -0.821 5.905 -8.038 1.00 0.00 N ATOM 380 CA LEU A 28 -0.660 4.456 -8.272 1.00 0.00 C ATOM 381 C LEU A 28 0.681 3.960 -7.678 1.00 0.00 C ATOM 382 O LEU A 28 1.405 4.731 -7.052 1.00 0.00 O ATOM 383 CB LEU A 28 -0.712 4.187 -9.808 1.00 0.00 C ATOM 384 CG LEU A 28 -1.972 4.738 -10.566 1.00 0.00 C ATOM 385 CD1 LEU A 28 -1.917 4.432 -12.071 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.265 4.191 -9.965 1.00 0.00 C ATOM 0 H LEU A 28 -0.271 6.475 -8.681 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.466 3.912 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.178 4.622 -10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.659 3.110 -9.969 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.962 5.821 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.808 4.831 -12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.030 4.894 -12.504 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.874 3.353 -12.222 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.118 4.591 -10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.267 3.103 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.334 4.487 -8.918 1.00 0.00 H new ATOM 398 N LEU A 29 0.953 2.654 -7.825 1.00 0.00 N ATOM 399 CA LEU A 29 2.293 2.038 -7.630 1.00 0.00 C ATOM 400 C LEU A 29 2.933 1.850 -9.019 1.00 0.00 C ATOM 401 O LEU A 29 2.247 1.406 -9.951 1.00 0.00 O ATOM 402 CB LEU A 29 2.194 0.632 -6.930 1.00 0.00 C ATOM 403 CG LEU A 29 1.944 0.604 -5.379 1.00 0.00 C ATOM 404 CD1 LEU A 29 0.541 1.122 -5.005 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.175 -0.821 -4.802 1.00 0.00 C ATOM 0 H LEU A 29 0.239 1.975 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 29 2.888 2.691 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.389 0.075 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.119 0.092 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 29 2.670 1.282 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.415 1.083 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.430 2.151 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.216 0.498 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.995 -0.812 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.490 -1.522 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.202 -1.130 -4.995 1.00 0.00 H new ATOM 417 N LYS A 30 4.229 2.184 -9.166 1.00 0.00 N ATOM 418 CA LYS A 30 4.991 1.833 -10.379 1.00 0.00 C ATOM 419 C LYS A 30 5.772 0.544 -10.108 1.00 0.00 C ATOM 420 O LYS A 30 6.690 0.542 -9.280 1.00 0.00 O ATOM 421 CB LYS A 30 5.963 2.949 -10.823 1.00 0.00 C ATOM 422 CG LYS A 30 6.645 2.629 -12.167 1.00 0.00 C ATOM 423 CD LYS A 30 7.618 3.718 -12.648 1.00 0.00 C ATOM 424 CE LYS A 30 8.275 3.306 -13.966 1.00 0.00 C ATOM 425 NZ LYS A 30 9.380 4.213 -14.374 1.00 0.00 N ATOM 0 H LYS A 30 4.767 2.693 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 30 4.279 1.697 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.418 3.889 -10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.725 3.091 -10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.187 1.688 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.877 2.481 -12.926 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.084 4.659 -12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.384 3.890 -11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.662 2.291 -13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.520 3.287 -14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.976 3.738 -15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.982 5.082 -14.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.956 4.455 -13.542 1.00 0.00 H new ATOM 439 N ALA A 31 5.373 -0.540 -10.788 1.00 0.00 N ATOM 440 CA ALA A 31 6.035 -1.845 -10.716 1.00 0.00 C ATOM 441 C ALA A 31 7.240 -1.870 -11.669 1.00 0.00 C ATOM 442 O ALA A 31 7.031 -2.018 -12.871 1.00 0.00 O ATOM 443 CB ALA A 31 5.033 -2.961 -11.077 1.00 0.00 C ATOM 0 H ALA A 31 4.567 -0.532 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 31 6.392 -2.015 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.531 -3.929 -11.022 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.199 -2.942 -10.376 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.660 -2.802 -12.089 1.00 0.00 H new ATOM 449 N PRO A 32 8.515 -1.749 -11.157 1.00 0.00 N ATOM 450 CA PRO A 32 9.736 -1.691 -12.013 1.00 0.00 C ATOM 451 C PRO A 32 9.997 -3.001 -12.792 1.00 0.00 C ATOM 452 O PRO A 32 10.876 -3.038 -13.658 1.00 0.00 O ATOM 453 CB PRO A 32 10.875 -1.394 -10.993 1.00 0.00 C ATOM 454 CG PRO A 32 10.362 -1.924 -9.692 1.00 0.00 C ATOM 455 CD PRO A 32 8.871 -1.680 -9.712 1.00 0.00 C ATOM 0 HA PRO A 32 9.647 -0.939 -12.797 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.804 -1.884 -11.282 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.084 -0.326 -10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.584 -2.986 -9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.831 -1.416 -8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.335 -2.432 -9.132 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.619 -0.709 -9.285 1.00 0.00 H new ATOM 463 N CYS A 33 9.223 -4.066 -12.471 1.00 0.00 N ATOM 464 CA CYS A 33 9.267 -5.349 -13.197 1.00 0.00 C ATOM 465 C CYS A 33 8.830 -5.174 -14.670 1.00 0.00 C ATOM 466 O CYS A 33 9.394 -5.799 -15.572 1.00 0.00 O ATOM 467 CB CYS A 33 8.378 -6.382 -12.473 1.00 0.00 C ATOM 468 SG CYS A 33 6.728 -5.752 -12.002 1.00 0.00 S ATOM 0 H CYS A 33 8.553 -4.055 -11.702 1.00 0.00 H new ATOM 0 HA CYS A 33 10.295 -5.712 -13.207 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.252 -7.252 -13.118 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.894 -6.723 -11.576 1.00 0.00 H new ATOM 0 HG CYS A 33 6.083 -5.386 -13.069 1.00 0.00 H new ATOM 473 N CYS A 34 7.856 -4.280 -14.904 1.00 0.00 N ATOM 474 CA CYS A 34 7.324 -3.991 -16.257 1.00 0.00 C ATOM 475 C CYS A 34 7.052 -2.483 -16.432 1.00 0.00 C ATOM 476 O CYS A 34 6.415 -2.073 -17.408 1.00 0.00 O ATOM 477 CB CYS A 34 6.044 -4.833 -16.483 1.00 0.00 C ATOM 478 SG CYS A 34 4.805 -4.671 -15.152 1.00 0.00 S ATOM 0 H CYS A 34 7.412 -3.735 -14.165 1.00 0.00 H new ATOM 0 HA CYS A 34 8.064 -4.266 -17.008 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.588 -4.536 -17.428 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.324 -5.882 -16.579 1.00 0.00 H new ATOM 0 HG CYS A 34 3.944 -5.641 -15.240 1.00 0.00 H new ATOM 483 N ASP A 35 7.553 -1.669 -15.469 1.00 0.00 N ATOM 484 CA ASP A 35 7.374 -0.193 -15.422 1.00 0.00 C ATOM 485 C ASP A 35 5.891 0.247 -15.490 1.00 0.00 C ATOM 486 O ASP A 35 5.595 1.413 -15.784 1.00 0.00 O ATOM 487 CB ASP A 35 8.254 0.490 -16.516 1.00 0.00 C ATOM 488 CG ASP A 35 9.763 0.375 -16.202 1.00 0.00 C ATOM 489 OD1 ASP A 35 10.324 -0.742 -16.303 1.00 0.00 O ATOM 490 OD2 ASP A 35 10.382 1.393 -15.806 1.00 0.00 O ATOM 0 H ASP A 35 8.103 -2.026 -14.688 1.00 0.00 H new ATOM 0 HA ASP A 35 7.718 0.147 -14.446 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.049 0.032 -17.484 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.980 1.542 -16.597 1.00 0.00 H new ATOM 495 N LYS A 36 4.967 -0.683 -15.151 1.00 0.00 N ATOM 496 CA LYS A 36 3.512 -0.458 -15.251 1.00 0.00 C ATOM 497 C LYS A 36 2.952 0.206 -13.991 1.00 0.00 C ATOM 498 O LYS A 36 3.568 0.181 -12.927 1.00 0.00 O ATOM 499 CB LYS A 36 2.749 -1.776 -15.547 1.00 0.00 C ATOM 500 CG LYS A 36 2.784 -2.228 -17.026 1.00 0.00 C ATOM 501 CD LYS A 36 1.751 -3.340 -17.318 1.00 0.00 C ATOM 502 CE LYS A 36 1.553 -3.605 -18.813 1.00 0.00 C ATOM 503 NZ LYS A 36 2.781 -4.120 -19.471 1.00 0.00 N ATOM 0 H LYS A 36 5.213 -1.609 -14.801 1.00 0.00 H new ATOM 0 HA LYS A 36 3.359 0.222 -16.089 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.170 -2.569 -14.929 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.709 -1.653 -15.244 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.587 -1.372 -17.671 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.783 -2.588 -17.271 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.072 -4.261 -16.832 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.794 -3.063 -16.875 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.745 -4.324 -18.946 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.242 -2.682 -19.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.592 -4.282 -20.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.547 -3.424 -19.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.065 -5.015 -19.024 1.00 0.00 H new ATOM 517 N LEU A 37 1.750 0.781 -14.143 1.00 0.00 N ATOM 518 CA LEU A 37 1.131 1.663 -13.140 1.00 0.00 C ATOM 519 C LEU A 37 -0.234 1.087 -12.692 1.00 0.00 C ATOM 520 O LEU A 37 -1.165 1.021 -13.500 1.00 0.00 O ATOM 521 CB LEU A 37 0.946 3.093 -13.739 1.00 0.00 C ATOM 522 CG LEU A 37 2.230 3.882 -14.199 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.325 3.868 -13.122 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.770 3.416 -15.572 1.00 0.00 C ATOM 0 H LEU A 37 1.174 0.646 -14.974 1.00 0.00 H new ATOM 0 HA LEU A 37 1.783 1.725 -12.268 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.281 3.010 -14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.431 3.701 -12.995 1.00 0.00 H new ATOM 0 HG LEU A 37 1.915 4.917 -14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.193 4.423 -13.478 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.946 4.333 -12.212 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.614 2.839 -12.910 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.654 3.998 -15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.033 2.360 -15.520 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.003 3.562 -16.333 1.00 0.00 H new ATOM 536 N TYR A 38 -0.332 0.645 -11.411 1.00 0.00 N ATOM 537 CA TYR A 38 -1.577 0.070 -10.815 1.00 0.00 C ATOM 538 C TYR A 38 -1.694 0.484 -9.333 1.00 0.00 C ATOM 539 O TYR A 38 -0.699 0.424 -8.615 1.00 0.00 O ATOM 540 CB TYR A 38 -1.565 -1.484 -10.883 1.00 0.00 C ATOM 541 CG TYR A 38 -1.496 -2.101 -12.293 1.00 0.00 C ATOM 542 CD1 TYR A 38 -2.654 -2.340 -13.037 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.275 -2.483 -12.861 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.598 -2.938 -14.283 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.221 -3.074 -14.110 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.381 -3.302 -14.813 1.00 0.00 C ATOM 547 OH TYR A 38 -1.322 -3.908 -16.050 1.00 0.00 O ATOM 0 H TYR A 38 0.450 0.676 -10.757 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.422 0.453 -11.388 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.712 -1.846 -10.308 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.463 -1.856 -10.390 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.612 -2.052 -12.631 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.641 -2.313 -12.314 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.506 -3.119 -14.838 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.732 -3.356 -14.533 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.069 -3.597 -16.603 1.00 0.00 H new ATOM 557 N THR A 39 -2.917 0.845 -8.865 1.00 0.00 N ATOM 558 CA THR A 39 -3.161 1.269 -7.450 1.00 0.00 C ATOM 559 C THR A 39 -2.863 0.129 -6.438 1.00 0.00 C ATOM 560 O THR A 39 -2.577 0.380 -5.260 1.00 0.00 O ATOM 561 CB THR A 39 -4.651 1.727 -7.227 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.088 2.575 -8.281 1.00 0.00 O ATOM 563 CG2 THR A 39 -4.857 2.475 -5.895 1.00 0.00 C ATOM 0 H THR A 39 -3.756 0.853 -9.445 1.00 0.00 H new ATOM 0 HA THR A 39 -2.482 2.103 -7.275 1.00 0.00 H new ATOM 0 HB THR A 39 -5.238 0.809 -7.205 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.758 3.203 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.903 2.765 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.583 1.823 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.230 3.367 -5.878 1.00 0.00 H new ATOM 571 N CYS A 40 -2.956 -1.127 -6.905 1.00 0.00 N ATOM 572 CA CYS A 40 -2.900 -2.308 -6.027 1.00 0.00 C ATOM 573 C CYS A 40 -1.981 -3.383 -6.631 1.00 0.00 C ATOM 574 O CYS A 40 -1.834 -3.455 -7.859 1.00 0.00 O ATOM 575 CB CYS A 40 -4.328 -2.886 -5.853 1.00 0.00 C ATOM 576 SG CYS A 40 -5.641 -1.633 -5.703 1.00 0.00 S ATOM 0 H CYS A 40 -3.071 -1.352 -7.893 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.500 -2.010 -5.058 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.552 -3.528 -6.705 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.344 -3.518 -4.965 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.803 -2.208 -5.802 1.00 0.00 H new ATOM 581 N ARG A 41 -1.386 -4.221 -5.752 1.00 0.00 N ATOM 582 CA ARG A 41 -0.660 -5.442 -6.160 1.00 0.00 C ATOM 583 C ARG A 41 -1.573 -6.370 -6.984 1.00 0.00 C ATOM 584 O ARG A 41 -1.200 -6.824 -8.065 1.00 0.00 O ATOM 585 CB ARG A 41 -0.117 -6.218 -4.915 1.00 0.00 C ATOM 586 CG ARG A 41 0.262 -7.698 -5.220 1.00 0.00 C ATOM 587 CD ARG A 41 0.746 -8.512 -4.012 1.00 0.00 C ATOM 588 NE ARG A 41 1.046 -9.910 -4.407 1.00 0.00 N ATOM 589 CZ ARG A 41 2.239 -10.528 -4.319 1.00 0.00 C ATOM 590 NH1 ARG A 41 3.313 -9.901 -3.850 1.00 0.00 N ATOM 591 NH2 ARG A 41 2.349 -11.783 -4.720 1.00 0.00 N ATOM 0 H ARG A 41 -1.396 -4.069 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 41 0.184 -5.130 -6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.760 -5.699 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.871 -6.199 -4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.606 -8.197 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.043 -7.707 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.638 -8.049 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.017 -8.505 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 41 0.272 -10.457 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.245 -8.930 -3.547 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.206 -10.391 -3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.535 -12.273 -5.091 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.248 -12.261 -4.658 1.00 0.00 H new ATOM 605 N LEU A 42 -2.766 -6.647 -6.436 1.00 0.00 N ATOM 606 CA LEU A 42 -3.744 -7.563 -7.046 1.00 0.00 C ATOM 607 C LEU A 42 -4.255 -7.028 -8.393 1.00 0.00 C ATOM 608 O LEU A 42 -4.412 -7.793 -9.336 1.00 0.00 O ATOM 609 CB LEU A 42 -4.890 -7.879 -6.031 1.00 0.00 C ATOM 610 CG LEU A 42 -5.588 -6.658 -5.318 1.00 0.00 C ATOM 611 CD1 LEU A 42 -6.704 -6.028 -6.175 1.00 0.00 C ATOM 612 CD2 LEU A 42 -6.129 -7.056 -3.927 1.00 0.00 C ATOM 0 H LEU A 42 -3.081 -6.241 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.251 -8.507 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.658 -8.446 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.485 -8.533 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.818 -5.898 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.150 -5.192 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.283 -5.670 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.470 -6.776 -6.382 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.604 -6.193 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.859 -7.858 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.305 -7.399 -3.301 1.00 0.00 H new ATOM 624 N CYS A 43 -4.450 -5.696 -8.485 1.00 0.00 N ATOM 625 CA CYS A 43 -4.889 -5.038 -9.738 1.00 0.00 C ATOM 626 C CYS A 43 -3.790 -5.092 -10.827 1.00 0.00 C ATOM 627 O CYS A 43 -4.091 -5.003 -12.017 1.00 0.00 O ATOM 628 CB CYS A 43 -5.402 -3.589 -9.471 1.00 0.00 C ATOM 629 SG CYS A 43 -7.106 -3.511 -8.783 1.00 0.00 S ATOM 0 H CYS A 43 -4.311 -5.052 -7.706 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.736 -5.601 -10.130 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.719 -3.095 -8.779 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.372 -3.027 -10.404 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.383 -2.286 -8.447 1.00 0.00 H new ATOM 634 N HIS A 44 -2.516 -5.241 -10.407 1.00 0.00 N ATOM 635 CA HIS A 44 -1.402 -5.569 -11.323 1.00 0.00 C ATOM 636 C HIS A 44 -1.526 -7.033 -11.777 1.00 0.00 C ATOM 637 O HIS A 44 -1.737 -7.299 -12.952 1.00 0.00 O ATOM 638 CB HIS A 44 -0.034 -5.293 -10.621 1.00 0.00 C ATOM 639 CG HIS A 44 1.203 -5.897 -11.268 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.576 -7.207 -11.058 1.00 0.00 N ATOM 641 CD2 HIS A 44 2.199 -5.351 -12.052 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.742 -7.413 -11.664 1.00 0.00 C ATOM 643 NE2 HIS A 44 3.171 -6.339 -12.283 1.00 0.00 N ATOM 0 H HIS A 44 -2.232 -5.139 -9.433 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.450 -4.935 -12.209 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.106 -4.214 -10.562 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.097 -5.662 -9.597 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.227 -4.338 -12.424 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.273 -8.353 -11.648 1.00 0.00 H new ATOM 0 HE2 HIS A 44 4.032 -6.241 -12.821 1.00 0.00 H new ATOM 651 N ASP A 45 -1.495 -7.954 -10.799 1.00 0.00 N ATOM 652 CA ASP A 45 -1.385 -9.416 -11.032 1.00 0.00 C ATOM 653 C ASP A 45 -2.585 -10.003 -11.821 1.00 0.00 C ATOM 654 O ASP A 45 -2.427 -10.993 -12.541 1.00 0.00 O ATOM 655 CB ASP A 45 -1.204 -10.128 -9.662 1.00 0.00 C ATOM 656 CG ASP A 45 -1.057 -11.666 -9.751 1.00 0.00 C ATOM 657 OD1 ASP A 45 0.036 -12.152 -10.099 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.030 -12.393 -9.441 1.00 0.00 O ATOM 0 H ASP A 45 -1.546 -7.708 -9.810 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.514 -9.593 -11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.322 -9.720 -9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.060 -9.894 -9.029 1.00 0.00 H new ATOM 663 N ASN A 46 -3.773 -9.372 -11.712 1.00 0.00 N ATOM 664 CA ASN A 46 -4.995 -9.840 -12.417 1.00 0.00 C ATOM 665 C ASN A 46 -4.998 -9.436 -13.912 1.00 0.00 C ATOM 666 O ASN A 46 -5.853 -9.891 -14.679 1.00 0.00 O ATOM 667 CB ASN A 46 -6.268 -9.311 -11.699 1.00 0.00 C ATOM 668 CG ASN A 46 -6.490 -9.881 -10.284 1.00 0.00 C ATOM 669 OD1 ASN A 46 -7.000 -9.192 -9.400 1.00 0.00 O ATOM 670 ND2 ASN A 46 -6.138 -11.144 -10.056 1.00 0.00 N ATOM 0 H ASN A 46 -3.916 -8.537 -11.144 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.996 -10.929 -12.382 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.207 -8.225 -11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.139 -9.545 -12.312 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.289 -11.557 -9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.717 -11.699 -10.801 1.00 0.00 H new ATOM 677 N ASN A 47 -4.058 -8.558 -14.308 1.00 0.00 N ATOM 678 CA ASN A 47 -3.836 -8.167 -15.725 1.00 0.00 C ATOM 679 C ASN A 47 -2.472 -8.673 -16.235 1.00 0.00 C ATOM 680 O ASN A 47 -2.190 -8.597 -17.440 1.00 0.00 O ATOM 681 CB ASN A 47 -3.907 -6.622 -15.882 1.00 0.00 C ATOM 682 CG ASN A 47 -5.303 -6.047 -15.621 1.00 0.00 C ATOM 683 OD1 ASN A 47 -6.128 -5.939 -16.533 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.580 -5.679 -14.382 1.00 0.00 N ATOM 0 H ASN A 47 -3.425 -8.094 -13.656 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.624 -8.627 -16.321 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.198 -6.161 -15.194 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.594 -6.352 -16.890 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.497 -5.293 -14.158 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.877 -5.781 -13.650 1.00 0.00 H new ATOM 691 N GLU A 48 -1.629 -9.190 -15.319 1.00 0.00 N ATOM 692 CA GLU A 48 -0.223 -9.544 -15.617 1.00 0.00 C ATOM 693 C GLU A 48 0.022 -11.054 -15.540 1.00 0.00 C ATOM 694 O GLU A 48 -0.771 -11.808 -14.969 1.00 0.00 O ATOM 695 CB GLU A 48 0.718 -8.792 -14.635 1.00 0.00 C ATOM 696 CG GLU A 48 0.713 -7.257 -14.808 1.00 0.00 C ATOM 697 CD GLU A 48 1.481 -6.773 -16.041 1.00 0.00 C ATOM 698 OE1 GLU A 48 0.936 -6.789 -17.164 1.00 0.00 O ATOM 699 OE2 GLU A 48 2.655 -6.387 -15.890 1.00 0.00 O ATOM 0 H GLU A 48 -1.901 -9.374 -14.353 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.009 -9.239 -16.641 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.426 -9.033 -13.613 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.735 -9.159 -14.771 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.319 -6.911 -14.875 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.146 -6.799 -13.919 1.00 0.00 H new ATOM 706 N ASP A 49 1.165 -11.462 -16.118 1.00 0.00 N ATOM 707 CA ASP A 49 1.635 -12.859 -16.145 1.00 0.00 C ATOM 708 C ASP A 49 2.566 -13.146 -14.946 1.00 0.00 C ATOM 709 O ASP A 49 3.170 -14.222 -14.864 1.00 0.00 O ATOM 710 CB ASP A 49 2.390 -13.122 -17.480 1.00 0.00 C ATOM 711 CG ASP A 49 1.523 -12.881 -18.732 1.00 0.00 C ATOM 712 OD1 ASP A 49 1.489 -11.736 -19.237 1.00 0.00 O ATOM 713 OD2 ASP A 49 0.876 -13.833 -19.214 1.00 0.00 O ATOM 0 H ASP A 49 1.801 -10.818 -16.589 1.00 0.00 H new ATOM 0 HA ASP A 49 0.774 -13.523 -16.074 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.268 -12.477 -17.525 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.750 -14.151 -17.489 1.00 0.00 H new ATOM 718 N HIS A 50 2.658 -12.180 -14.011 1.00 0.00 N ATOM 719 CA HIS A 50 3.587 -12.232 -12.869 1.00 0.00 C ATOM 720 C HIS A 50 3.058 -11.357 -11.707 1.00 0.00 C ATOM 721 O HIS A 50 2.196 -10.493 -11.913 1.00 0.00 O ATOM 722 CB HIS A 50 5.009 -11.785 -13.324 1.00 0.00 C ATOM 723 CG HIS A 50 5.075 -10.379 -13.885 1.00 0.00 C ATOM 724 ND1 HIS A 50 4.581 -10.012 -15.114 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.548 -9.240 -13.329 1.00 0.00 C ATOM 726 CE1 HIS A 50 4.751 -8.687 -15.246 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.336 -8.159 -14.181 1.00 0.00 N ATOM 0 H HIS A 50 2.085 -11.336 -14.029 1.00 0.00 H new ATOM 0 HA HIS A 50 3.656 -13.257 -12.504 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.688 -11.856 -12.474 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.371 -12.482 -14.080 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.023 -9.178 -12.361 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.448 -8.121 -16.114 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.577 -7.181 -14.021 1.00 0.00 H new ATOM 735 N GLN A 51 3.606 -11.581 -10.500 1.00 0.00 N ATOM 736 CA GLN A 51 3.134 -10.943 -9.245 1.00 0.00 C ATOM 737 C GLN A 51 3.906 -9.643 -8.931 1.00 0.00 C ATOM 738 O GLN A 51 5.097 -9.528 -9.244 1.00 0.00 O ATOM 739 CB GLN A 51 3.263 -11.938 -8.056 1.00 0.00 C ATOM 740 CG GLN A 51 4.697 -12.437 -7.781 1.00 0.00 C ATOM 741 CD GLN A 51 4.783 -13.427 -6.614 1.00 0.00 C ATOM 742 OE1 GLN A 51 4.652 -14.638 -6.793 1.00 0.00 O ATOM 743 NE2 GLN A 51 5.012 -12.920 -5.409 1.00 0.00 N ATOM 0 H GLN A 51 4.394 -12.213 -10.360 1.00 0.00 H new ATOM 0 HA GLN A 51 2.086 -10.679 -9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.882 -11.457 -7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.625 -12.800 -8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.087 -12.913 -8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.338 -11.581 -7.570 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.116 -11.912 -5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.084 -13.538 -4.601 1.00 0.00 H new ATOM 752 N LEU A 52 3.202 -8.653 -8.343 1.00 0.00 N ATOM 753 CA LEU A 52 3.818 -7.403 -7.844 1.00 0.00 C ATOM 754 C LEU A 52 4.171 -7.598 -6.366 1.00 0.00 C ATOM 755 O LEU A 52 3.298 -7.522 -5.503 1.00 0.00 O ATOM 756 CB LEU A 52 2.845 -6.183 -8.044 1.00 0.00 C ATOM 757 CG LEU A 52 3.399 -4.726 -7.738 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.592 -3.643 -8.490 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.413 -4.383 -6.228 1.00 0.00 C ATOM 0 H LEU A 52 2.193 -8.696 -8.201 1.00 0.00 H new ATOM 0 HA LEU A 52 4.724 -7.182 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.500 -6.198 -9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.971 -6.347 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 52 4.430 -4.732 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.999 -2.659 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.660 -3.819 -9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.548 -3.687 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.802 -3.375 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.399 -4.439 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.048 -5.094 -5.699 1.00 0.00 H new ATOM 771 N ASP A 53 5.432 -7.901 -6.068 1.00 0.00 N ATOM 772 CA ASP A 53 5.923 -7.853 -4.685 1.00 0.00 C ATOM 773 C ASP A 53 6.126 -6.383 -4.289 1.00 0.00 C ATOM 774 O ASP A 53 6.897 -5.652 -4.920 1.00 0.00 O ATOM 775 CB ASP A 53 7.207 -8.697 -4.510 1.00 0.00 C ATOM 776 CG ASP A 53 6.924 -10.201 -4.678 1.00 0.00 C ATOM 777 OD1 ASP A 53 6.254 -10.785 -3.793 1.00 0.00 O ATOM 778 OD2 ASP A 53 7.335 -10.796 -5.693 1.00 0.00 O ATOM 0 H ASP A 53 6.131 -8.181 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 53 5.186 -8.297 -4.015 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.952 -8.383 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.632 -8.514 -3.523 1.00 0.00 H new ATOM 783 N ARG A 54 5.365 -5.957 -3.267 1.00 0.00 N ATOM 784 CA ARG A 54 5.286 -4.549 -2.802 1.00 0.00 C ATOM 785 C ARG A 54 6.633 -4.004 -2.282 1.00 0.00 C ATOM 786 O ARG A 54 6.800 -2.795 -2.145 1.00 0.00 O ATOM 787 CB ARG A 54 4.212 -4.451 -1.690 1.00 0.00 C ATOM 788 CG ARG A 54 4.473 -5.403 -0.499 1.00 0.00 C ATOM 789 CD ARG A 54 3.331 -5.439 0.528 1.00 0.00 C ATOM 790 NE ARG A 54 3.451 -6.623 1.396 1.00 0.00 N ATOM 791 CZ ARG A 54 2.474 -7.128 2.155 1.00 0.00 C ATOM 792 NH1 ARG A 54 1.308 -6.502 2.286 1.00 0.00 N ATOM 793 NH2 ARG A 54 2.673 -8.273 2.782 1.00 0.00 N ATOM 0 H ARG A 54 4.774 -6.588 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 54 5.017 -3.934 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.171 -3.425 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.235 -4.676 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.638 -6.411 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.391 -5.098 0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.351 -4.533 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.371 -5.456 0.012 1.00 0.00 H new ATOM 0 HE ARG A 54 4.354 -7.096 1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.146 -5.619 1.802 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.576 -6.905 2.870 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.564 -8.760 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.936 -8.670 3.365 1.00 0.00 H new ATOM 807 N PHE A 55 7.586 -4.905 -1.999 1.00 0.00 N ATOM 808 CA PHE A 55 8.927 -4.539 -1.502 1.00 0.00 C ATOM 809 C PHE A 55 9.881 -4.163 -2.663 1.00 0.00 C ATOM 810 O PHE A 55 11.045 -3.828 -2.424 1.00 0.00 O ATOM 811 CB PHE A 55 9.505 -5.714 -0.669 1.00 0.00 C ATOM 812 CG PHE A 55 8.598 -6.154 0.490 1.00 0.00 C ATOM 813 CD1 PHE A 55 8.515 -5.402 1.662 1.00 0.00 C ATOM 814 CD2 PHE A 55 7.831 -7.318 0.403 1.00 0.00 C ATOM 815 CE1 PHE A 55 7.697 -5.798 2.706 1.00 0.00 C ATOM 816 CE2 PHE A 55 7.015 -7.713 1.448 1.00 0.00 C ATOM 817 CZ PHE A 55 6.949 -6.954 2.598 1.00 0.00 C ATOM 0 H PHE A 55 7.451 -5.910 -2.108 1.00 0.00 H new ATOM 0 HA PHE A 55 8.835 -3.658 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.676 -6.565 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.475 -5.421 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.098 -4.497 1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.876 -7.919 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.644 -5.203 3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.429 -8.616 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.313 -7.264 3.414 1.00 0.00 H new ATOM 827 N LYS A 56 9.380 -4.222 -3.919 1.00 0.00 N ATOM 828 CA LYS A 56 10.192 -3.955 -5.132 1.00 0.00 C ATOM 829 C LYS A 56 9.872 -2.575 -5.742 1.00 0.00 C ATOM 830 O LYS A 56 10.755 -1.948 -6.342 1.00 0.00 O ATOM 831 CB LYS A 56 9.957 -5.066 -6.198 1.00 0.00 C ATOM 832 CG LYS A 56 10.100 -6.519 -5.672 1.00 0.00 C ATOM 833 CD LYS A 56 11.464 -6.822 -5.014 1.00 0.00 C ATOM 834 CE LYS A 56 12.649 -6.733 -5.988 1.00 0.00 C ATOM 835 NZ LYS A 56 13.933 -7.061 -5.315 1.00 0.00 N ATOM 0 H LYS A 56 8.408 -4.454 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 56 11.239 -3.957 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.957 -4.943 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.663 -4.920 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.309 -6.711 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.947 -7.210 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.626 -6.123 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.435 -7.822 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.489 -7.417 -6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.703 -5.728 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.712 -6.991 -6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.097 -6.392 -4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.890 -8.029 -4.937 1.00 0.00 H new ATOM 849 N VAL A 57 8.604 -2.122 -5.600 1.00 0.00 N ATOM 850 CA VAL A 57 8.132 -0.854 -6.204 1.00 0.00 C ATOM 851 C VAL A 57 8.891 0.364 -5.628 1.00 0.00 C ATOM 852 O VAL A 57 8.778 0.689 -4.449 1.00 0.00 O ATOM 853 CB VAL A 57 6.561 -0.674 -6.085 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.821 -1.700 -6.966 1.00 0.00 C ATOM 855 CG2 VAL A 57 6.066 -0.772 -4.632 1.00 0.00 C ATOM 0 H VAL A 57 7.887 -2.618 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 57 8.358 -0.910 -7.269 1.00 0.00 H new ATOM 0 HB VAL A 57 6.336 0.331 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.745 -1.556 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.111 -1.562 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.083 -2.709 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.984 -0.642 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.323 -1.750 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.539 0.006 -4.033 1.00 0.00 H new ATOM 865 N LYS A 58 9.727 0.987 -6.473 1.00 0.00 N ATOM 866 CA LYS A 58 10.543 2.148 -6.081 1.00 0.00 C ATOM 867 C LYS A 58 9.744 3.439 -6.309 1.00 0.00 C ATOM 868 O LYS A 58 9.501 4.224 -5.376 1.00 0.00 O ATOM 869 CB LYS A 58 11.865 2.165 -6.896 1.00 0.00 C ATOM 870 CG LYS A 58 12.858 3.293 -6.509 1.00 0.00 C ATOM 871 CD LYS A 58 13.414 3.152 -5.071 1.00 0.00 C ATOM 872 CE LYS A 58 14.250 1.874 -4.878 1.00 0.00 C ATOM 873 NZ LYS A 58 14.717 1.724 -3.475 1.00 0.00 N ATOM 0 H LYS A 58 9.857 0.702 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 58 10.795 2.077 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.364 1.204 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.621 2.263 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.689 3.294 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.358 4.257 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.028 4.021 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.584 3.148 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.654 1.005 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.111 1.899 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.276 0.852 -3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.307 2.541 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.896 1.675 -2.839 1.00 0.00 H new ATOM 887 N GLU A 59 9.335 3.631 -7.569 1.00 0.00 N ATOM 888 CA GLU A 59 8.553 4.791 -7.997 1.00 0.00 C ATOM 889 C GLU A 59 7.055 4.515 -7.882 1.00 0.00 C ATOM 890 O GLU A 59 6.616 3.415 -7.524 1.00 0.00 O ATOM 891 CB GLU A 59 8.901 5.149 -9.463 1.00 0.00 C ATOM 892 CG GLU A 59 10.322 5.686 -9.676 1.00 0.00 C ATOM 893 CD GLU A 59 10.688 5.802 -11.171 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.883 4.747 -11.819 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.755 6.928 -11.709 1.00 0.00 O ATOM 0 H GLU A 59 9.541 2.978 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 59 8.803 5.628 -7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.768 4.261 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.189 5.894 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.412 6.665 -9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.035 5.027 -9.180 1.00 0.00 H new ATOM 902 N VAL A 60 6.299 5.550 -8.236 1.00 0.00 N ATOM 903 CA VAL A 60 4.844 5.585 -8.283 1.00 0.00 C ATOM 904 C VAL A 60 4.472 6.632 -9.350 1.00 0.00 C ATOM 905 O VAL A 60 5.255 7.562 -9.597 1.00 0.00 O ATOM 906 CB VAL A 60 4.240 6.017 -6.884 1.00 0.00 C ATOM 907 CG1 VAL A 60 4.345 4.900 -5.809 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.914 7.315 -6.381 1.00 0.00 C ATOM 0 H VAL A 60 6.713 6.440 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 60 4.444 4.599 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 60 3.178 6.200 -7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.915 5.255 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.801 4.018 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.393 4.643 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.487 7.597 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.985 7.148 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.745 8.115 -7.102 1.00 0.00 H new ATOM 918 N GLN A 61 3.319 6.507 -10.018 1.00 0.00 N ATOM 919 CA GLN A 61 2.765 7.665 -10.762 1.00 0.00 C ATOM 920 C GLN A 61 1.634 8.270 -9.948 1.00 0.00 C ATOM 921 O GLN A 61 1.197 7.706 -8.952 1.00 0.00 O ATOM 922 CB GLN A 61 2.292 7.341 -12.211 1.00 0.00 C ATOM 923 CG GLN A 61 0.853 6.827 -12.384 1.00 0.00 C ATOM 924 CD GLN A 61 0.301 6.984 -13.826 1.00 0.00 C ATOM 925 OE1 GLN A 61 -0.491 6.173 -14.290 1.00 0.00 O ATOM 926 NE2 GLN A 61 0.678 8.054 -14.526 1.00 0.00 N ATOM 0 H GLN A 61 2.762 5.654 -10.065 1.00 0.00 H new ATOM 0 HA GLN A 61 3.580 8.378 -10.892 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.402 8.244 -12.812 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.969 6.596 -12.628 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.817 5.774 -12.104 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.200 7.363 -11.695 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.338 8.719 -14.124 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.306 8.207 -15.463 1.00 0.00 H new ATOM 935 N CYS A 62 1.213 9.449 -10.358 1.00 0.00 N ATOM 936 CA CYS A 62 0.017 10.109 -9.845 1.00 0.00 C ATOM 937 C CYS A 62 -1.112 9.889 -10.851 1.00 0.00 C ATOM 938 O CYS A 62 -0.850 9.802 -12.042 1.00 0.00 O ATOM 939 CB CYS A 62 0.337 11.587 -9.670 1.00 0.00 C ATOM 940 SG CYS A 62 -1.007 12.627 -9.049 1.00 0.00 S ATOM 0 H CYS A 62 1.699 9.991 -11.072 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.296 9.706 -8.882 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.182 11.676 -8.988 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.661 11.984 -10.632 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.225 13.599 -9.884 1.00 0.00 H new ATOM 945 N ILE A 63 -2.351 9.755 -10.377 1.00 0.00 N ATOM 946 CA ILE A 63 -3.519 9.594 -11.264 1.00 0.00 C ATOM 947 C ILE A 63 -3.991 11.000 -11.654 1.00 0.00 C ATOM 948 O ILE A 63 -4.255 11.292 -12.824 1.00 0.00 O ATOM 949 CB ILE A 63 -4.699 8.807 -10.563 1.00 0.00 C ATOM 950 CG1 ILE A 63 -4.147 7.688 -9.630 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.656 8.193 -11.615 1.00 0.00 C ATOM 952 CD1 ILE A 63 -5.188 6.960 -8.793 1.00 0.00 C ATOM 0 H ILE A 63 -2.579 9.754 -9.383 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.229 9.010 -12.137 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.257 9.521 -9.957 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.621 6.955 -10.242 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.410 8.129 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.459 7.657 -11.108 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.081 8.988 -12.228 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.103 7.501 -12.250 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.698 6.203 -8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.699 7.674 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.914 6.481 -9.451 1.00 0.00 H new ATOM 964 N ASN A 64 -4.022 11.876 -10.630 1.00 0.00 N ATOM 965 CA ASN A 64 -4.426 13.278 -10.755 1.00 0.00 C ATOM 966 C ASN A 64 -3.197 14.129 -11.118 1.00 0.00 C ATOM 967 O ASN A 64 -2.516 14.653 -10.235 1.00 0.00 O ATOM 968 CB ASN A 64 -5.063 13.759 -9.436 1.00 0.00 C ATOM 969 CG ASN A 64 -5.748 15.128 -9.547 1.00 0.00 C ATOM 970 OD1 ASN A 64 -6.936 15.218 -9.857 1.00 0.00 O ATOM 971 ND2 ASN A 64 -5.015 16.201 -9.292 1.00 0.00 N ATOM 0 H ASN A 64 -3.761 11.618 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.169 13.381 -11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.795 13.022 -9.106 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.292 13.809 -8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.433 17.130 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.033 16.099 -9.037 1.00 0.00 H new ATOM 978 N CYS A 65 -2.885 14.077 -12.409 1.00 0.00 N ATOM 979 CA CYS A 65 -1.883 14.907 -13.164 1.00 0.00 C ATOM 980 C CYS A 65 -0.905 13.991 -13.915 1.00 0.00 C ATOM 981 O CYS A 65 -0.063 14.478 -14.680 1.00 0.00 O ATOM 982 CB CYS A 65 -1.099 15.998 -12.347 1.00 0.00 C ATOM 983 SG CYS A 65 0.238 15.393 -11.239 1.00 0.00 S ATOM 0 H CYS A 65 -3.348 13.409 -13.025 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.490 15.495 -13.853 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.663 16.705 -13.053 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.817 16.553 -11.743 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.136 15.517 -10.000 1.00 0.00 H new ATOM 988 N GLU A 66 -1.023 12.658 -13.668 1.00 0.00 N ATOM 989 CA GLU A 66 -0.324 11.583 -14.439 1.00 0.00 C ATOM 990 C GLU A 66 1.227 11.642 -14.355 1.00 0.00 C ATOM 991 O GLU A 66 1.930 10.933 -15.088 1.00 0.00 O ATOM 992 CB GLU A 66 -0.815 11.570 -15.916 1.00 0.00 C ATOM 993 CG GLU A 66 -2.322 11.262 -16.079 1.00 0.00 C ATOM 994 CD GLU A 66 -2.789 11.264 -17.548 1.00 0.00 C ATOM 995 OE1 GLU A 66 -2.527 10.271 -18.262 1.00 0.00 O ATOM 996 OE2 GLU A 66 -3.416 12.257 -17.993 1.00 0.00 O ATOM 0 H GLU A 66 -1.612 12.292 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.595 10.641 -13.961 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.603 12.540 -16.366 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.242 10.828 -16.472 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.537 10.289 -15.638 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.899 11.999 -15.521 1.00 0.00 H new ATOM 1003 N LYS A 67 1.741 12.437 -13.409 1.00 0.00 N ATOM 1004 CA LYS A 67 3.183 12.742 -13.277 1.00 0.00 C ATOM 1005 C LYS A 67 3.863 11.708 -12.346 1.00 0.00 C ATOM 1006 O LYS A 67 3.283 11.315 -11.320 1.00 0.00 O ATOM 1007 CB LYS A 67 3.300 14.208 -12.757 1.00 0.00 C ATOM 1008 CG LYS A 67 4.715 14.852 -12.760 1.00 0.00 C ATOM 1009 CD LYS A 67 5.531 14.551 -11.485 1.00 0.00 C ATOM 1010 CE LYS A 67 6.920 15.205 -11.497 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.719 14.807 -10.311 1.00 0.00 N ATOM 0 H LYS A 67 1.166 12.895 -12.702 1.00 0.00 H new ATOM 0 HA LYS A 67 3.703 12.667 -14.232 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.643 14.834 -13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.918 14.236 -11.736 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.267 14.493 -13.628 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.614 15.932 -12.871 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.977 14.902 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.644 13.472 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.450 14.920 -12.406 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.813 16.289 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.729 14.955 -10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.437 15.384 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.551 13.803 -10.100 1.00 0.00 H new ATOM 1025 N ILE A 68 5.088 11.273 -12.721 1.00 0.00 N ATOM 1026 CA ILE A 68 5.863 10.256 -11.971 1.00 0.00 C ATOM 1027 C ILE A 68 6.676 10.920 -10.838 1.00 0.00 C ATOM 1028 O ILE A 68 7.363 11.921 -11.057 1.00 0.00 O ATOM 1029 CB ILE A 68 6.883 9.471 -12.895 1.00 0.00 C ATOM 1030 CG1 ILE A 68 6.196 8.891 -14.178 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.606 8.348 -12.096 1.00 0.00 C ATOM 1032 CD1 ILE A 68 5.310 7.675 -13.956 1.00 0.00 C ATOM 0 H ILE A 68 5.568 11.617 -13.553 1.00 0.00 H new ATOM 0 HA ILE A 68 5.132 9.555 -11.569 1.00 0.00 H new ATOM 0 HB ILE A 68 7.629 10.191 -13.230 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.595 9.678 -14.634 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.972 8.626 -14.896 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.301 7.824 -12.752 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.155 8.789 -11.264 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.869 7.643 -11.711 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.885 7.356 -14.908 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.904 6.864 -13.534 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.505 7.932 -13.267 1.00 0.00 H new ATOM 1044 N GLN A 69 6.600 10.327 -9.648 1.00 0.00 N ATOM 1045 CA GLN A 69 7.442 10.675 -8.486 1.00 0.00 C ATOM 1046 C GLN A 69 7.881 9.375 -7.784 1.00 0.00 C ATOM 1047 O GLN A 69 7.444 8.291 -8.165 1.00 0.00 O ATOM 1048 CB GLN A 69 6.711 11.648 -7.498 1.00 0.00 C ATOM 1049 CG GLN A 69 5.419 11.122 -6.819 1.00 0.00 C ATOM 1050 CD GLN A 69 4.189 11.090 -7.739 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.412 12.046 -7.809 1.00 0.00 O ATOM 1052 NE2 GLN A 69 3.997 9.990 -8.440 1.00 0.00 N ATOM 0 H GLN A 69 5.940 9.574 -9.452 1.00 0.00 H new ATOM 0 HA GLN A 69 8.323 11.212 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.416 11.928 -6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.461 12.559 -8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.604 10.115 -6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.196 11.748 -5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.655 9.215 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.190 9.914 -9.059 1.00 0.00 H new ATOM 1061 N HIS A 70 8.792 9.468 -6.810 1.00 0.00 N ATOM 1062 CA HIS A 70 9.174 8.310 -5.970 1.00 0.00 C ATOM 1063 C HIS A 70 8.145 8.115 -4.842 1.00 0.00 C ATOM 1064 O HIS A 70 7.405 9.051 -4.517 1.00 0.00 O ATOM 1065 CB HIS A 70 10.608 8.491 -5.416 1.00 0.00 C ATOM 1066 CG HIS A 70 11.693 8.282 -6.446 1.00 0.00 C ATOM 1067 ND1 HIS A 70 12.594 7.237 -6.394 1.00 0.00 N ATOM 1068 CD2 HIS A 70 12.010 8.987 -7.560 1.00 0.00 C ATOM 1069 CE1 HIS A 70 13.412 7.312 -7.427 1.00 0.00 C ATOM 1070 NE2 HIS A 70 13.076 8.360 -8.150 1.00 0.00 N ATOM 0 H HIS A 70 9.284 10.331 -6.578 1.00 0.00 H new ATOM 0 HA HIS A 70 9.174 7.408 -6.582 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.703 9.495 -5.001 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.761 7.791 -4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.514 9.878 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 70 14.220 6.629 -7.643 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.535 8.657 -9.011 1.00 0.00 H new ATOM 1079 N ALA A 71 8.098 6.890 -4.269 1.00 0.00 N ATOM 1080 CA ALA A 71 7.065 6.486 -3.289 1.00 0.00 C ATOM 1081 C ALA A 71 7.072 7.378 -2.018 1.00 0.00 C ATOM 1082 O ALA A 71 7.857 7.163 -1.090 1.00 0.00 O ATOM 1083 CB ALA A 71 7.223 4.995 -2.937 1.00 0.00 C ATOM 0 H ALA A 71 8.775 6.155 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 71 6.091 6.632 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.458 4.708 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.113 4.394 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.210 4.825 -2.506 1.00 0.00 H new ATOM 1089 N GLN A 72 6.199 8.401 -2.026 1.00 0.00 N ATOM 1090 CA GLN A 72 6.036 9.375 -0.912 1.00 0.00 C ATOM 1091 C GLN A 72 4.559 9.409 -0.454 1.00 0.00 C ATOM 1092 O GLN A 72 3.769 8.570 -0.891 1.00 0.00 O ATOM 1093 CB GLN A 72 6.561 10.769 -1.372 1.00 0.00 C ATOM 1094 CG GLN A 72 5.881 11.350 -2.639 1.00 0.00 C ATOM 1095 CD GLN A 72 6.681 12.500 -3.278 1.00 0.00 C ATOM 1096 OE1 GLN A 72 7.519 12.278 -4.155 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.453 13.726 -2.826 1.00 0.00 N ATOM 0 H GLN A 72 5.575 8.584 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 72 6.625 9.072 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.430 11.476 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.632 10.692 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.751 10.554 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.885 11.709 -2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.754 13.880 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.977 14.515 -3.205 1.00 0.00 H new ATOM 1106 N GLN A 73 4.184 10.342 0.457 1.00 0.00 N ATOM 1107 CA GLN A 73 2.798 10.404 1.003 1.00 0.00 C ATOM 1108 C GLN A 73 1.928 11.442 0.260 1.00 0.00 C ATOM 1109 O GLN A 73 0.697 11.360 0.299 1.00 0.00 O ATOM 1110 CB GLN A 73 2.795 10.700 2.531 1.00 0.00 C ATOM 1111 CG GLN A 73 1.418 10.447 3.213 1.00 0.00 C ATOM 1112 CD GLN A 73 1.295 10.947 4.654 1.00 0.00 C ATOM 1113 OE1 GLN A 73 2.277 11.080 5.376 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.068 11.190 5.095 1.00 0.00 N ATOM 0 H GLN A 73 4.812 11.056 0.828 1.00 0.00 H new ATOM 0 HA GLN A 73 2.360 9.419 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.550 10.079 3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.085 11.738 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.642 10.924 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.217 9.376 3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.731 11.071 4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.077 11.496 6.057 1.00 0.00 H new ATOM 1123 N THR A 74 2.551 12.417 -0.422 1.00 0.00 N ATOM 1124 CA THR A 74 1.811 13.461 -1.169 1.00 0.00 C ATOM 1125 C THR A 74 2.552 13.835 -2.464 1.00 0.00 C ATOM 1126 O THR A 74 3.759 14.067 -2.445 1.00 0.00 O ATOM 1127 CB THR A 74 1.592 14.753 -0.307 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.053 14.400 0.979 1.00 0.00 O ATOM 1129 CG2 THR A 74 0.634 15.748 -0.983 1.00 0.00 C ATOM 0 H THR A 74 3.566 12.509 -0.475 1.00 0.00 H new ATOM 0 HA THR A 74 0.836 13.041 -1.414 1.00 0.00 H new ATOM 0 HB THR A 74 2.565 15.232 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.920 15.212 1.512 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.514 16.626 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.044 16.050 -1.947 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.336 15.274 -1.134 1.00 0.00 H new ATOM 1137 N CYS A 75 1.803 13.868 -3.583 1.00 0.00 N ATOM 1138 CA CYS A 75 2.291 14.341 -4.890 1.00 0.00 C ATOM 1139 C CYS A 75 2.695 15.814 -4.819 1.00 0.00 C ATOM 1140 O CYS A 75 1.849 16.685 -4.639 1.00 0.00 O ATOM 1141 CB CYS A 75 1.186 14.181 -5.942 1.00 0.00 C ATOM 1142 SG CYS A 75 1.546 14.870 -7.598 1.00 0.00 S ATOM 0 H CYS A 75 0.830 13.563 -3.603 1.00 0.00 H new ATOM 0 HA CYS A 75 3.162 13.746 -5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.968 13.119 -6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.280 14.654 -5.563 1.00 0.00 H new ATOM 0 HG CYS A 75 0.788 14.292 -8.482 1.00 0.00 H new ATOM 1147 N GLU A 76 3.993 16.050 -4.935 1.00 0.00 N ATOM 1148 CA GLU A 76 4.604 17.393 -5.047 1.00 0.00 C ATOM 1149 C GLU A 76 3.999 18.249 -6.206 1.00 0.00 C ATOM 1150 O GLU A 76 3.996 19.481 -6.136 1.00 0.00 O ATOM 1151 CB GLU A 76 6.158 17.235 -5.210 1.00 0.00 C ATOM 1152 CG GLU A 76 6.631 15.963 -5.976 1.00 0.00 C ATOM 1153 CD GLU A 76 6.065 15.813 -7.400 1.00 0.00 C ATOM 1154 OE1 GLU A 76 6.551 16.511 -8.311 1.00 0.00 O ATOM 1155 OE2 GLU A 76 5.123 15.009 -7.612 1.00 0.00 O ATOM 0 H GLU A 76 4.683 15.299 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 76 4.379 17.940 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.542 18.113 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.610 17.229 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.719 15.975 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.352 15.083 -5.396 1.00 0.00 H new ATOM 1162 N GLU A 77 3.485 17.573 -7.252 1.00 0.00 N ATOM 1163 CA GLU A 77 3.000 18.215 -8.492 1.00 0.00 C ATOM 1164 C GLU A 77 1.594 18.866 -8.329 1.00 0.00 C ATOM 1165 O GLU A 77 1.328 19.902 -8.946 1.00 0.00 O ATOM 1166 CB GLU A 77 3.003 17.157 -9.635 1.00 0.00 C ATOM 1167 CG GLU A 77 2.647 17.688 -11.043 1.00 0.00 C ATOM 1168 CD GLU A 77 3.667 18.693 -11.618 1.00 0.00 C ATOM 1169 OE1 GLU A 77 4.770 18.267 -12.026 1.00 0.00 O ATOM 1170 OE2 GLU A 77 3.373 19.904 -11.661 1.00 0.00 O ATOM 0 H GLU A 77 3.393 16.557 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 77 3.675 19.035 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.991 16.700 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.298 16.367 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.562 16.843 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.668 18.165 -11.002 1.00 0.00 H new ATOM 1177 N CYS A 78 0.695 18.272 -7.497 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.716 18.772 -7.373 1.00 0.00 C ATOM 1179 C CYS A 78 -1.303 18.608 -5.953 1.00 0.00 C ATOM 1180 O CYS A 78 -2.499 18.840 -5.760 1.00 0.00 O ATOM 1181 CB CYS A 78 -1.637 18.074 -8.412 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.921 16.295 -8.117 1.00 0.00 S ATOM 0 H CYS A 78 0.908 17.464 -6.912 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.676 19.842 -7.575 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.600 18.584 -8.422 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.201 18.198 -9.403 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.103 15.690 -9.253 1.00 0.00 H new ATOM 1187 N SER A 79 -0.454 18.222 -4.973 1.00 0.00 N ATOM 1188 CA SER A 79 -0.847 18.054 -3.553 1.00 0.00 C ATOM 1189 C SER A 79 -1.967 16.998 -3.354 1.00 0.00 C ATOM 1190 O SER A 79 -2.809 17.148 -2.460 1.00 0.00 O ATOM 1191 CB SER A 79 -1.228 19.427 -2.924 1.00 0.00 C ATOM 1192 OG SER A 79 -0.119 20.313 -2.917 1.00 0.00 O ATOM 0 H SER A 79 0.530 18.017 -5.146 1.00 0.00 H new ATOM 0 HA SER A 79 0.023 17.664 -3.025 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.049 19.872 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.584 19.277 -1.905 1.00 0.00 H new ATOM 0 HG SER A 79 -0.386 21.168 -2.519 1.00 0.00 H new ATOM 1198 N THR A 80 -1.949 15.903 -4.156 1.00 0.00 N ATOM 1199 CA THR A 80 -2.918 14.799 -3.976 1.00 0.00 C ATOM 1200 C THR A 80 -2.304 13.762 -3.012 1.00 0.00 C ATOM 1201 O THR A 80 -1.105 13.445 -3.093 1.00 0.00 O ATOM 1202 CB THR A 80 -3.375 14.137 -5.330 1.00 0.00 C ATOM 1203 OG1 THR A 80 -4.502 13.282 -5.107 1.00 0.00 O ATOM 1204 CG2 THR A 80 -2.276 13.322 -6.015 1.00 0.00 C ATOM 0 H THR A 80 -1.286 15.764 -4.919 1.00 0.00 H new ATOM 0 HA THR A 80 -3.831 15.214 -3.549 1.00 0.00 H new ATOM 0 HB THR A 80 -3.633 14.964 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.061 13.261 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.662 12.896 -6.941 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.429 13.970 -6.240 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.953 12.519 -5.353 1.00 0.00 H new ATOM 1212 N LEU A 81 -3.131 13.261 -2.099 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.694 12.442 -0.966 1.00 0.00 C ATOM 1214 C LEU A 81 -2.734 10.945 -1.336 1.00 0.00 C ATOM 1215 O LEU A 81 -3.757 10.443 -1.820 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.601 12.745 0.270 1.00 0.00 C ATOM 1217 CG LEU A 81 -3.123 12.182 1.649 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.739 12.746 2.048 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -4.164 12.451 2.761 1.00 0.00 C ATOM 0 H LEU A 81 -4.139 13.413 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.663 12.690 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.702 13.827 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.596 12.348 0.067 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.022 11.103 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.441 12.332 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.003 12.472 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.796 13.832 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.800 12.047 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.319 13.525 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.107 11.971 2.500 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.594 10.259 -1.132 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.480 8.790 -1.264 1.00 0.00 C ATOM 1233 C PHE A 82 -2.264 8.085 -0.135 1.00 0.00 C ATOM 1234 O PHE A 82 -2.594 6.912 -0.243 1.00 0.00 O ATOM 1235 CB PHE A 82 0.002 8.339 -1.193 1.00 0.00 C ATOM 1236 CG PHE A 82 0.907 8.750 -2.358 1.00 0.00 C ATOM 1237 CD1 PHE A 82 1.082 10.085 -2.711 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.628 7.791 -3.060 1.00 0.00 C ATOM 1239 CE1 PHE A 82 1.941 10.446 -3.727 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.489 8.150 -4.067 1.00 0.00 C ATOM 1241 CZ PHE A 82 2.650 9.478 -4.404 1.00 0.00 C ATOM 0 H PHE A 82 -0.718 10.710 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.895 8.515 -2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.433 8.733 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.023 7.252 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.536 10.851 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.509 6.747 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 82 2.058 11.486 -3.992 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.043 7.390 -4.598 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.329 9.758 -5.196 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.491 8.806 0.962 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.265 8.305 2.088 1.00 0.00 C ATOM 1253 C GLY A 83 -2.851 8.983 3.372 1.00 0.00 C ATOM 1254 O GLY A 83 -1.701 9.419 3.497 1.00 0.00 O ATOM 0 H GLY A 83 -2.141 9.755 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.327 8.475 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.125 7.228 2.180 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.801 9.117 4.314 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.535 9.631 5.656 1.00 0.00 C ATOM 1260 C GLU A 84 -2.482 8.770 6.370 1.00 0.00 C ATOM 1261 O GLU A 84 -1.622 9.284 7.097 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.843 9.674 6.473 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.920 10.649 5.936 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.854 10.060 4.861 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.495 10.061 3.665 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.960 9.595 5.220 1.00 0.00 O ATOM 0 H GLU A 84 -4.778 8.869 4.158 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.141 10.643 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.267 8.670 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.603 9.951 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.527 10.994 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.421 11.525 5.522 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.590 7.456 6.155 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.576 6.490 6.560 1.00 0.00 C ATOM 1275 C TYR A 85 -0.572 6.276 5.411 1.00 0.00 C ATOM 1276 O TYR A 85 -0.960 6.183 4.235 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.235 5.145 6.945 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.231 4.101 7.453 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -0.706 4.199 8.737 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -0.795 3.039 6.651 1.00 0.00 C ATOM 1281 CE1 TYR A 85 0.211 3.282 9.208 1.00 0.00 C ATOM 1282 CE2 TYR A 85 0.119 2.117 7.122 1.00 0.00 C ATOM 1283 CZ TYR A 85 0.620 2.244 8.399 1.00 0.00 C ATOM 1284 OH TYR A 85 1.536 1.325 8.871 1.00 0.00 O ATOM 0 H TYR A 85 -3.393 7.033 5.690 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.048 6.879 7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.985 5.323 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.759 4.743 6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.022 5.009 9.378 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.180 2.939 5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.607 3.377 10.208 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.439 1.300 6.492 1.00 0.00 H new ATOM 0 HH TYR A 85 1.539 0.537 8.288 1.00 0.00 H new ATOM 1294 N TYR A 86 0.715 6.208 5.768 1.00 0.00 N ATOM 1295 CA TYR A 86 1.791 5.795 4.857 1.00 0.00 C ATOM 1296 C TYR A 86 2.690 4.780 5.577 1.00 0.00 C ATOM 1297 O TYR A 86 2.803 4.802 6.815 1.00 0.00 O ATOM 1298 CB TYR A 86 2.620 7.015 4.349 1.00 0.00 C ATOM 1299 CG TYR A 86 3.535 7.696 5.395 1.00 0.00 C ATOM 1300 CD1 TYR A 86 3.012 8.251 6.564 1.00 0.00 C ATOM 1301 CD2 TYR A 86 4.922 7.786 5.210 1.00 0.00 C ATOM 1302 CE1 TYR A 86 3.822 8.864 7.502 1.00 0.00 C ATOM 1303 CE2 TYR A 86 5.735 8.400 6.148 1.00 0.00 C ATOM 1304 CZ TYR A 86 5.181 8.936 7.290 1.00 0.00 C ATOM 1305 OH TYR A 86 5.991 9.552 8.223 1.00 0.00 O ATOM 0 H TYR A 86 1.043 6.440 6.705 1.00 0.00 H new ATOM 0 HA TYR A 86 1.347 5.331 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.238 6.686 3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.928 7.762 3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.948 8.200 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.365 7.368 4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.390 9.285 8.398 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.801 8.459 5.985 1.00 0.00 H new ATOM 0 HH TYR A 86 6.923 9.516 7.922 1.00 0.00 H new ATOM 1315 N CYS A 87 3.314 3.893 4.796 1.00 0.00 N ATOM 1316 CA CYS A 87 4.291 2.924 5.303 1.00 0.00 C ATOM 1317 C CYS A 87 5.256 2.596 4.154 1.00 0.00 C ATOM 1318 O CYS A 87 4.853 1.966 3.168 1.00 0.00 O ATOM 1319 CB CYS A 87 3.555 1.666 5.819 1.00 0.00 C ATOM 1320 SG CYS A 87 4.508 0.593 6.934 1.00 0.00 S ATOM 0 H CYS A 87 3.155 3.826 3.791 1.00 0.00 H new ATOM 0 HA CYS A 87 4.858 3.328 6.142 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.650 1.984 6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.239 1.075 4.959 1.00 0.00 H new ATOM 0 HG CYS A 87 4.506 -0.623 6.473 1.00 0.00 H new ATOM 1325 N ASP A 88 6.521 3.012 4.309 1.00 0.00 N ATOM 1326 CA ASP A 88 7.530 3.035 3.227 1.00 0.00 C ATOM 1327 C ASP A 88 7.877 1.623 2.738 1.00 0.00 C ATOM 1328 O ASP A 88 7.900 1.364 1.537 1.00 0.00 O ATOM 1329 CB ASP A 88 8.808 3.761 3.729 1.00 0.00 C ATOM 1330 CG ASP A 88 9.938 3.827 2.678 1.00 0.00 C ATOM 1331 OD1 ASP A 88 9.893 4.715 1.800 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.869 2.986 2.722 1.00 0.00 O ATOM 0 H ASP A 88 6.883 3.348 5.201 1.00 0.00 H new ATOM 0 HA ASP A 88 7.107 3.575 2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.545 4.775 4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.180 3.251 4.618 1.00 0.00 H new ATOM 1337 N ILE A 89 8.115 0.727 3.698 1.00 0.00 N ATOM 1338 CA ILE A 89 8.613 -0.636 3.448 1.00 0.00 C ATOM 1339 C ILE A 89 7.537 -1.497 2.748 1.00 0.00 C ATOM 1340 O ILE A 89 7.810 -2.149 1.729 1.00 0.00 O ATOM 1341 CB ILE A 89 9.071 -1.288 4.803 1.00 0.00 C ATOM 1342 CG1 ILE A 89 10.221 -0.443 5.454 1.00 0.00 C ATOM 1343 CG2 ILE A 89 9.475 -2.777 4.646 1.00 0.00 C ATOM 1344 CD1 ILE A 89 10.651 -0.893 6.844 1.00 0.00 C ATOM 0 H ILE A 89 7.966 0.926 4.687 1.00 0.00 H new ATOM 0 HA ILE A 89 9.472 -0.583 2.779 1.00 0.00 H new ATOM 0 HB ILE A 89 8.212 -1.280 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.089 -0.473 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.899 0.597 5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.782 -3.175 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.624 -3.347 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.303 -2.857 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.450 -0.245 7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.801 -0.835 7.524 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.010 -1.921 6.799 1.00 0.00 H new ATOM 1356 N CYS A 90 6.305 -1.461 3.294 1.00 0.00 N ATOM 1357 CA CYS A 90 5.163 -2.205 2.731 1.00 0.00 C ATOM 1358 C CYS A 90 4.678 -1.543 1.433 1.00 0.00 C ATOM 1359 O CYS A 90 4.023 -2.187 0.618 1.00 0.00 O ATOM 1360 CB CYS A 90 4.001 -2.265 3.738 1.00 0.00 C ATOM 1361 SG CYS A 90 4.439 -2.875 5.387 1.00 0.00 S ATOM 0 H CYS A 90 6.076 -0.921 4.129 1.00 0.00 H new ATOM 0 HA CYS A 90 5.498 -3.219 2.515 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.577 -1.266 3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.219 -2.904 3.328 1.00 0.00 H new ATOM 0 HG CYS A 90 3.491 -2.578 6.225 1.00 0.00 H new ATOM 1366 N HIS A 91 4.969 -0.223 1.300 1.00 0.00 N ATOM 1367 CA HIS A 91 4.582 0.612 0.137 1.00 0.00 C ATOM 1368 C HIS A 91 3.059 0.776 -0.013 1.00 0.00 C ATOM 1369 O HIS A 91 2.586 1.354 -1.010 1.00 0.00 O ATOM 1370 CB HIS A 91 5.221 0.083 -1.173 1.00 0.00 C ATOM 1371 CG HIS A 91 6.697 0.350 -1.281 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.663 -0.520 -0.831 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.358 1.393 -1.831 1.00 0.00 C ATOM 1374 CE1 HIS A 91 8.852 -0.021 -1.086 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.700 1.138 -1.696 1.00 0.00 N ATOM 0 H HIS A 91 5.487 0.297 2.009 1.00 0.00 H new ATOM 0 HA HIS A 91 4.977 1.608 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.050 -0.991 -1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.716 0.541 -2.023 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.484 -1.413 -0.371 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.914 2.264 -2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.796 -0.483 -0.837 1.00 0.00 H new ATOM 1384 N LEU A 92 2.293 0.305 0.989 1.00 0.00 N ATOM 1385 CA LEU A 92 0.845 0.470 1.008 1.00 0.00 C ATOM 1386 C LEU A 92 0.564 1.830 1.651 1.00 0.00 C ATOM 1387 O LEU A 92 1.014 2.120 2.774 1.00 0.00 O ATOM 1388 CB LEU A 92 0.134 -0.732 1.715 1.00 0.00 C ATOM 1389 CG LEU A 92 0.421 -0.985 3.244 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.556 -0.213 4.170 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.404 -2.497 3.580 1.00 0.00 C ATOM 0 H LEU A 92 2.665 -0.195 1.797 1.00 0.00 H new ATOM 0 HA LEU A 92 0.428 0.461 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.941 -0.596 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.401 -1.640 1.174 1.00 0.00 H new ATOM 0 HG LEU A 92 1.422 -0.598 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.313 -0.424 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.464 0.857 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.579 -0.530 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.605 -2.636 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.574 -2.912 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.169 -3.008 2.996 1.00 0.00 H new ATOM 1403 N PHE A 93 -0.054 2.699 0.864 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.423 4.046 1.279 1.00 0.00 C ATOM 1405 C PHE A 93 -1.936 4.149 1.088 1.00 0.00 C ATOM 1406 O PHE A 93 -2.425 3.985 -0.040 1.00 0.00 O ATOM 1407 CB PHE A 93 0.328 5.115 0.428 1.00 0.00 C ATOM 1408 CG PHE A 93 1.851 4.914 0.282 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.654 4.608 1.383 1.00 0.00 C ATOM 1410 CD2 PHE A 93 2.478 5.059 -0.959 1.00 0.00 C ATOM 1411 CE1 PHE A 93 4.021 4.450 1.245 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.845 4.897 -1.094 1.00 0.00 C ATOM 1413 CZ PHE A 93 4.617 4.593 0.009 1.00 0.00 C ATOM 0 H PHE A 93 -0.318 2.485 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.146 4.232 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.113 5.133 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.152 6.094 0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 93 2.201 4.493 2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.884 5.302 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.625 4.214 2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.309 5.008 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.685 4.467 -0.095 1.00 0.00 H new ATOM 1423 N ASP A 94 -2.662 4.363 2.183 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.133 4.377 2.194 1.00 0.00 C ATOM 1425 C ASP A 94 -4.627 5.217 3.370 1.00 0.00 C ATOM 1426 O ASP A 94 -3.822 5.745 4.137 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.695 2.924 2.256 1.00 0.00 C ATOM 1428 CG ASP A 94 -4.371 2.173 3.564 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -3.178 1.913 3.844 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -5.310 1.798 4.297 1.00 0.00 O ATOM 0 H ASP A 94 -2.247 4.534 3.099 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.497 4.828 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -5.777 2.960 2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.295 2.356 1.416 1.00 0.00 H new ATOM 1435 N LYS A 95 -5.950 5.359 3.496 1.00 0.00 N ATOM 1436 CA LYS A 95 -6.561 6.187 4.547 1.00 0.00 C ATOM 1437 C LYS A 95 -6.321 5.583 5.942 1.00 0.00 C ATOM 1438 O LYS A 95 -6.242 4.358 6.093 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.070 6.351 4.286 1.00 0.00 C ATOM 1440 CG LYS A 95 -8.407 7.010 2.927 1.00 0.00 C ATOM 1441 CD LYS A 95 -9.925 7.180 2.714 1.00 0.00 C ATOM 1442 CE LYS A 95 -10.671 5.839 2.751 1.00 0.00 C ATOM 1443 NZ LYS A 95 -12.105 5.987 2.387 1.00 0.00 N ATOM 0 H LYS A 95 -6.625 4.908 2.879 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.089 7.169 4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.544 5.371 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.503 6.951 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.924 7.985 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.996 6.403 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.327 7.838 3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.103 7.666 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.193 5.140 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.593 5.409 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.642 5.176 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.479 6.865 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.198 6.024 1.352 1.00 0.00 H new ATOM 1457 N ASP A 96 -6.236 6.455 6.956 1.00 0.00 N ATOM 1458 CA ASP A 96 -5.959 6.039 8.340 1.00 0.00 C ATOM 1459 C ASP A 96 -7.291 5.767 9.039 1.00 0.00 C ATOM 1460 O ASP A 96 -8.081 6.688 9.276 1.00 0.00 O ATOM 1461 CB ASP A 96 -5.143 7.118 9.106 1.00 0.00 C ATOM 1462 CG ASP A 96 -4.935 6.771 10.596 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -4.351 5.706 10.891 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -5.380 7.540 11.481 1.00 0.00 O ATOM 0 H ASP A 96 -6.356 7.462 6.843 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.353 5.133 8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.171 7.238 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.657 8.076 9.030 1.00 0.00 H new ATOM 1469 N LYS A 97 -7.532 4.486 9.336 1.00 0.00 N ATOM 1470 CA LYS A 97 -8.752 4.004 9.994 1.00 0.00 C ATOM 1471 C LYS A 97 -8.360 2.915 10.994 1.00 0.00 C ATOM 1472 O LYS A 97 -8.418 1.714 10.682 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.777 3.478 8.942 1.00 0.00 C ATOM 1474 CG LYS A 97 -10.323 4.559 7.979 1.00 0.00 C ATOM 1475 CD LYS A 97 -11.276 3.986 6.912 1.00 0.00 C ATOM 1476 CE LYS A 97 -11.922 5.076 6.051 1.00 0.00 C ATOM 1477 NZ LYS A 97 -12.685 6.065 6.853 1.00 0.00 N ATOM 0 H LYS A 97 -6.871 3.739 9.121 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.240 4.821 10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.303 2.692 8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.616 3.021 9.468 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.848 5.321 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.487 5.053 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.725 3.300 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.057 3.405 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.147 5.594 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.589 4.611 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.288 6.631 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.279 5.566 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.023 6.692 7.353 1.00 0.00 H new ATOM 1491 N LYS A 98 -7.835 3.376 12.156 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.557 2.534 13.346 1.00 0.00 C ATOM 1493 C LYS A 98 -6.419 1.513 13.135 1.00 0.00 C ATOM 1494 O LYS A 98 -6.103 0.748 14.060 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.856 1.811 13.799 1.00 0.00 C ATOM 1496 CG LYS A 98 -9.999 2.742 14.243 1.00 0.00 C ATOM 1497 CD LYS A 98 -9.659 3.494 15.542 1.00 0.00 C ATOM 1498 CE LYS A 98 -10.815 4.363 16.046 1.00 0.00 C ATOM 1499 NZ LYS A 98 -10.584 4.830 17.437 1.00 0.00 N ATOM 0 H LYS A 98 -7.590 4.356 12.295 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.212 3.210 14.128 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.213 1.189 12.978 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.612 1.141 14.624 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.208 3.462 13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.907 2.157 14.390 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.390 2.773 16.314 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.785 4.123 15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.937 5.224 15.388 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.744 3.794 16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.471 5.208 17.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.259 4.033 18.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.860 5.577 17.437 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.773 1.541 11.949 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.863 0.468 11.513 1.00 0.00 C ATOM 1515 C GLN A 99 -3.499 0.572 12.214 1.00 0.00 C ATOM 1516 O GLN A 99 -3.148 1.619 12.778 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.699 0.467 9.967 1.00 0.00 C ATOM 1518 CG GLN A 99 -3.719 1.495 9.372 1.00 0.00 C ATOM 1519 CD GLN A 99 -3.515 1.290 7.866 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -2.706 0.452 7.448 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -4.198 2.073 7.046 1.00 0.00 N ATOM 0 H GLN A 99 -5.868 2.301 11.276 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.311 -0.482 11.803 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.375 -0.528 9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.679 0.635 9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.096 2.502 9.553 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.759 1.417 9.882 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.858 2.754 7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.065 1.995 6.038 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.729 -0.519 12.146 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.465 -0.671 12.879 1.00 0.00 C ATOM 1532 C TYR A 100 -0.473 -1.518 12.058 1.00 0.00 C ATOM 1533 O TYR A 100 -0.859 -2.540 11.463 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.747 -1.338 14.264 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.365 -2.757 14.190 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -3.705 -2.956 13.815 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -1.599 -3.897 14.464 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -4.244 -4.221 13.723 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -2.141 -5.160 14.364 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.459 -5.317 13.995 1.00 0.00 C ATOM 1541 OH TYR A 100 -3.986 -6.585 13.892 1.00 0.00 O ATOM 0 H TYR A 100 -2.967 -1.330 11.575 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.019 0.310 13.042 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.812 -1.393 14.822 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.419 -0.694 14.831 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.325 -2.100 13.594 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.566 -3.784 14.759 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.278 -4.351 13.439 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.532 -6.027 14.575 1.00 0.00 H new ATOM 0 HH TYR A 100 -4.817 -6.637 14.408 1.00 0.00 H new ATOM 1551 N HIS A 101 0.795 -1.073 11.980 1.00 0.00 N ATOM 1552 CA HIS A 101 1.888 -1.889 11.435 1.00 0.00 C ATOM 1553 C HIS A 101 2.440 -2.782 12.543 1.00 0.00 C ATOM 1554 O HIS A 101 3.110 -2.311 13.469 1.00 0.00 O ATOM 1555 CB HIS A 101 3.029 -1.049 10.755 1.00 0.00 C ATOM 1556 CG HIS A 101 4.167 -1.922 10.223 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.144 -2.507 8.948 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.224 -2.425 10.913 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.162 -3.356 8.966 1.00 0.00 C ATOM 1560 NE2 HIS A 101 5.835 -3.333 10.114 1.00 0.00 N ATOM 0 H HIS A 101 1.086 -0.146 12.291 1.00 0.00 H new ATOM 0 HA HIS A 101 1.473 -2.499 10.633 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.608 -0.469 9.934 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.430 -0.337 11.476 1.00 0.00 H new ATOM 0 HD1 HIS A 101 3.494 -2.322 8.184 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.522 -2.151 11.914 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.418 -3.999 8.137 1.00 0.00 H new ATOM 1568 N CYS A 102 2.110 -4.065 12.449 1.00 0.00 N ATOM 1569 CA CYS A 102 2.722 -5.109 13.265 1.00 0.00 C ATOM 1570 C CYS A 102 3.984 -5.615 12.552 1.00 0.00 C ATOM 1571 O CYS A 102 3.882 -6.154 11.443 1.00 0.00 O ATOM 1572 CB CYS A 102 1.729 -6.251 13.462 1.00 0.00 C ATOM 1573 SG CYS A 102 2.342 -7.604 14.497 1.00 0.00 S ATOM 0 H CYS A 102 1.405 -4.413 11.800 1.00 0.00 H new ATOM 0 HA CYS A 102 2.993 -4.712 14.243 1.00 0.00 H new ATOM 0 HB2 CYS A 102 0.818 -5.852 13.909 1.00 0.00 H new ATOM 0 HB3 CYS A 102 1.456 -6.651 12.486 1.00 0.00 H new ATOM 0 HG CYS A 102 1.857 -8.732 14.069 1.00 0.00 H new ATOM 1578 N GLU A 103 5.165 -5.412 13.171 1.00 0.00 N ATOM 1579 CA GLU A 103 6.466 -5.842 12.602 1.00 0.00 C ATOM 1580 C GLU A 103 6.613 -7.372 12.662 1.00 0.00 C ATOM 1581 O GLU A 103 7.292 -7.968 11.822 1.00 0.00 O ATOM 1582 CB GLU A 103 7.632 -5.154 13.351 1.00 0.00 C ATOM 1583 CG GLU A 103 7.567 -3.618 13.332 1.00 0.00 C ATOM 1584 CD GLU A 103 8.705 -2.948 14.115 1.00 0.00 C ATOM 1585 OE1 GLU A 103 9.804 -2.763 13.554 1.00 0.00 O ATOM 1586 OE2 GLU A 103 8.501 -2.598 15.300 1.00 0.00 O ATOM 0 H GLU A 103 5.248 -4.948 14.075 1.00 0.00 H new ATOM 0 HA GLU A 103 6.498 -5.541 11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.636 -5.495 14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.575 -5.473 12.906 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.596 -3.274 12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.612 -3.297 13.748 1.00 0.00 H new ATOM 1593 N ASN A 104 5.967 -7.989 13.665 1.00 0.00 N ATOM 1594 CA ASN A 104 5.945 -9.456 13.828 1.00 0.00 C ATOM 1595 C ASN A 104 5.157 -10.133 12.678 1.00 0.00 C ATOM 1596 O ASN A 104 5.665 -11.053 12.029 1.00 0.00 O ATOM 1597 CB ASN A 104 5.344 -9.843 15.198 1.00 0.00 C ATOM 1598 CG ASN A 104 6.183 -9.394 16.403 1.00 0.00 C ATOM 1599 OD1 ASN A 104 5.979 -8.314 16.951 1.00 0.00 O ATOM 1600 ND2 ASN A 104 7.135 -10.222 16.815 1.00 0.00 N ATOM 0 H ASN A 104 5.446 -7.488 14.385 1.00 0.00 H new ATOM 0 HA ASN A 104 6.974 -9.813 13.788 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.348 -9.408 15.281 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.224 -10.926 15.237 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.723 -9.968 17.609 1.00 0.00 H new ATOM 0 HD22 ASN A 104 7.279 -11.112 16.338 1.00 0.00 H new ATOM 1607 N CYS A 105 3.899 -9.678 12.442 1.00 0.00 N ATOM 1608 CA CYS A 105 3.079 -10.153 11.286 1.00 0.00 C ATOM 1609 C CYS A 105 3.670 -9.606 9.956 1.00 0.00 C ATOM 1610 O CYS A 105 3.398 -10.141 8.876 1.00 0.00 O ATOM 1611 CB CYS A 105 1.580 -9.739 11.428 1.00 0.00 C ATOM 1612 SG CYS A 105 0.667 -10.494 12.828 1.00 0.00 S ATOM 0 H CYS A 105 3.430 -8.988 13.029 1.00 0.00 H new ATOM 0 HA CYS A 105 3.115 -11.242 11.276 1.00 0.00 H new ATOM 0 HB2 CYS A 105 1.531 -8.655 11.531 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.064 -9.995 10.503 1.00 0.00 H new ATOM 0 HG CYS A 105 0.134 -9.557 13.554 1.00 0.00 H new ATOM 1617 N GLY A 106 4.455 -8.512 10.069 1.00 0.00 N ATOM 1618 CA GLY A 106 5.228 -7.949 8.952 1.00 0.00 C ATOM 1619 C GLY A 106 4.440 -6.968 8.089 1.00 0.00 C ATOM 1620 O GLY A 106 4.984 -6.408 7.134 1.00 0.00 O ATOM 0 H GLY A 106 4.567 -7.997 10.942 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.107 -7.443 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 106 5.587 -8.764 8.324 1.00 0.00 H new ATOM 1624 N ILE A 107 3.162 -6.727 8.447 1.00 0.00 N ATOM 1625 CA ILE A 107 2.194 -6.001 7.590 1.00 0.00 C ATOM 1626 C ILE A 107 1.422 -4.934 8.389 1.00 0.00 C ATOM 1627 O ILE A 107 1.582 -4.803 9.609 1.00 0.00 O ATOM 1628 CB ILE A 107 1.159 -6.999 6.931 1.00 0.00 C ATOM 1629 CG1 ILE A 107 0.411 -7.834 8.034 1.00 0.00 C ATOM 1630 CG2 ILE A 107 1.854 -7.926 5.900 1.00 0.00 C ATOM 1631 CD1 ILE A 107 -0.732 -8.692 7.513 1.00 0.00 C ATOM 0 H ILE A 107 2.769 -7.029 9.338 1.00 0.00 H new ATOM 0 HA ILE A 107 2.772 -5.509 6.808 1.00 0.00 H new ATOM 0 HB ILE A 107 0.416 -6.409 6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.133 -8.479 8.535 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.020 -7.149 8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.118 -8.601 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.304 -7.321 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.629 -8.508 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.189 -9.232 8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.479 -8.055 7.039 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.348 -9.405 6.783 1.00 0.00 H new ATOM 1643 N CYS A 108 0.589 -4.173 7.659 1.00 0.00 N ATOM 1644 CA CYS A 108 -0.351 -3.193 8.224 1.00 0.00 C ATOM 1645 C CYS A 108 -1.570 -3.091 7.327 1.00 0.00 C ATOM 1646 O CYS A 108 -1.438 -2.745 6.157 1.00 0.00 O ATOM 1647 CB CYS A 108 0.311 -1.813 8.330 1.00 0.00 C ATOM 1648 SG CYS A 108 1.285 -1.368 6.886 1.00 0.00 S ATOM 0 H CYS A 108 0.550 -4.224 6.641 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.645 -3.523 9.220 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.462 -1.060 8.483 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.953 -1.794 9.211 1.00 0.00 H new ATOM 0 HG CYS A 108 2.412 -0.844 7.267 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.744 -3.384 7.879 1.00 0.00 N ATOM 1654 CA ARG A 109 -4.036 -3.238 7.165 1.00 0.00 C ATOM 1655 C ARG A 109 -5.093 -2.697 8.122 1.00 0.00 C ATOM 1656 O ARG A 109 -4.881 -2.702 9.346 1.00 0.00 O ATOM 1657 CB ARG A 109 -4.530 -4.571 6.501 1.00 0.00 C ATOM 1658 CG ARG A 109 -3.783 -5.026 5.213 1.00 0.00 C ATOM 1659 CD ARG A 109 -3.580 -3.895 4.163 1.00 0.00 C ATOM 1660 NE ARG A 109 -4.785 -3.062 3.933 1.00 0.00 N ATOM 1661 CZ ARG A 109 -4.818 -1.708 3.985 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -3.755 -1.018 4.382 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -5.927 -1.059 3.688 1.00 0.00 N ATOM 0 H ARG A 109 -2.841 -3.730 8.834 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.873 -2.533 6.350 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -4.453 -5.369 7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -5.587 -4.461 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.809 -5.426 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.341 -5.840 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.763 -3.252 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.274 -4.342 3.217 1.00 0.00 H new ATOM 0 HE ARG A 109 -5.657 -3.546 3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.901 -1.507 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.792 0.001 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.764 -1.576 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.948 -0.040 3.728 1.00 0.00 H new ATOM 1677 N ILE A 110 -6.236 -2.245 7.544 1.00 0.00 N ATOM 1678 CA ILE A 110 -7.337 -1.621 8.298 1.00 0.00 C ATOM 1679 C ILE A 110 -7.898 -2.622 9.333 1.00 0.00 C ATOM 1680 O ILE A 110 -8.620 -3.569 8.992 1.00 0.00 O ATOM 1681 CB ILE A 110 -8.481 -1.094 7.343 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.911 -0.078 6.293 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.647 -0.457 8.150 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -7.354 1.209 6.884 1.00 0.00 C ATOM 0 H ILE A 110 -6.413 -2.306 6.541 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.938 -0.753 8.823 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.881 -1.953 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -7.123 -0.570 5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.702 0.176 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.416 -0.105 7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.074 -1.202 8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.270 0.383 8.733 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.984 1.847 6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.142 1.730 7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.537 0.973 7.566 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.503 -2.397 10.584 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.828 -3.257 11.705 1.00 0.00 C ATOM 1698 C GLY A 111 -7.721 -2.459 12.976 1.00 0.00 C ATOM 1699 O GLY A 111 -6.657 -1.883 13.214 1.00 0.00 O ATOM 0 H GLY A 111 -6.935 -1.591 10.846 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.836 -3.657 11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.149 -4.109 11.736 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.793 -2.360 13.809 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.731 -1.581 15.044 1.00 0.00 C ATOM 1705 C PRO A 112 -7.799 -2.254 16.061 1.00 0.00 C ATOM 1706 O PRO A 112 -8.068 -3.358 16.548 1.00 0.00 O ATOM 1707 CB PRO A 112 -10.194 -1.496 15.517 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.850 -2.705 14.929 1.00 0.00 C ATOM 1709 CD PRO A 112 -10.121 -3.007 13.632 1.00 0.00 C ATOM 0 HA PRO A 112 -8.312 -0.584 14.908 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -10.260 -1.499 16.605 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.670 -0.579 15.171 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.789 -3.551 15.614 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.908 -2.520 14.745 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.024 -4.080 13.469 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.652 -2.600 12.771 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.676 -1.575 16.315 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.607 -2.047 17.208 1.00 0.00 C ATOM 1719 C LYS A 113 -6.124 -2.261 18.650 1.00 0.00 C ATOM 1720 O LYS A 113 -5.546 -3.032 19.417 1.00 0.00 O ATOM 1721 CB LYS A 113 -4.433 -1.033 17.184 1.00 0.00 C ATOM 1722 CG LYS A 113 -4.807 0.384 17.683 1.00 0.00 C ATOM 1723 CD LYS A 113 -3.677 1.423 17.489 1.00 0.00 C ATOM 1724 CE LYS A 113 -3.385 1.711 16.008 1.00 0.00 C ATOM 1725 NZ LYS A 113 -2.289 2.694 15.833 1.00 0.00 N ATOM 0 H LYS A 113 -6.478 -0.665 15.899 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.255 -3.014 16.850 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.621 -1.420 17.800 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -4.053 -0.958 16.165 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.697 0.724 17.154 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.065 0.332 18.741 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.953 2.352 17.988 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.769 1.060 17.970 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.120 0.781 15.504 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.288 2.088 15.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.127 2.857 14.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.551 3.591 16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.419 2.325 16.267 1.00 0.00 H new ATOM 1739 N GLU A 114 -7.201 -1.534 19.001 1.00 0.00 N ATOM 1740 CA GLU A 114 -7.918 -1.691 20.279 1.00 0.00 C ATOM 1741 C GLU A 114 -8.671 -3.046 20.344 1.00 0.00 C ATOM 1742 O GLU A 114 -8.804 -3.634 21.423 1.00 0.00 O ATOM 1743 CB GLU A 114 -8.889 -0.496 20.529 1.00 0.00 C ATOM 1744 CG GLU A 114 -9.832 -0.121 19.345 1.00 0.00 C ATOM 1745 CD GLU A 114 -9.305 1.044 18.481 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -8.512 0.805 17.544 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -9.669 2.215 18.754 1.00 0.00 O ATOM 0 H GLU A 114 -7.601 -0.814 18.399 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.174 -1.690 21.075 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.505 -0.730 21.398 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.295 0.381 20.786 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.973 -0.997 18.712 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.811 0.146 19.742 1.00 0.00 H new ATOM 1754 N ASP A 115 -9.151 -3.528 19.185 1.00 0.00 N ATOM 1755 CA ASP A 115 -9.858 -4.832 19.072 1.00 0.00 C ATOM 1756 C ASP A 115 -8.891 -5.980 18.719 1.00 0.00 C ATOM 1757 O ASP A 115 -9.318 -7.130 18.622 1.00 0.00 O ATOM 1758 CB ASP A 115 -10.976 -4.761 17.997 1.00 0.00 C ATOM 1759 CG ASP A 115 -12.119 -3.786 18.332 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -11.871 -2.568 18.420 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -13.276 -4.233 18.500 1.00 0.00 O ATOM 0 H ASP A 115 -9.064 -3.032 18.298 1.00 0.00 H new ATOM 0 HA ASP A 115 -10.299 -5.037 20.047 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.531 -4.467 17.046 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -11.394 -5.758 17.859 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.604 -5.667 18.487 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.563 -6.688 18.215 1.00 0.00 C ATOM 1768 C PHE A 116 -5.478 -6.675 19.302 1.00 0.00 C ATOM 1769 O PHE A 116 -5.327 -5.702 20.047 1.00 0.00 O ATOM 1770 CB PHE A 116 -5.918 -6.480 16.813 1.00 0.00 C ATOM 1771 CG PHE A 116 -6.792 -6.928 15.639 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -6.947 -8.286 15.348 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -7.441 -6.004 14.822 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -7.723 -8.701 14.283 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -8.215 -6.421 13.755 1.00 0.00 C ATOM 1776 CZ PHE A 116 -8.355 -7.768 13.485 1.00 0.00 C ATOM 0 H PHE A 116 -7.253 -4.709 18.481 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.054 -7.661 18.226 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -5.680 -5.423 16.690 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -4.975 -7.026 16.776 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -6.453 -9.022 15.965 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.338 -4.948 15.025 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.835 -9.755 14.075 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -8.711 -5.692 13.132 1.00 0.00 H new ATOM 0 HZ PHE A 116 -8.959 -8.092 12.650 1.00 0.00 H new ATOM 1786 N PHE A 117 -4.752 -7.800 19.384 1.00 0.00 N ATOM 1787 CA PHE A 117 -3.524 -7.942 20.186 1.00 0.00 C ATOM 1788 C PHE A 117 -2.643 -9.035 19.552 1.00 0.00 C ATOM 1789 O PHE A 117 -3.160 -10.057 19.089 1.00 0.00 O ATOM 1790 CB PHE A 117 -3.849 -8.269 21.679 1.00 0.00 C ATOM 1791 CG PHE A 117 -4.623 -9.575 21.919 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -6.017 -9.594 21.912 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -3.951 -10.780 22.151 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -6.711 -10.768 22.127 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -4.647 -11.952 22.364 1.00 0.00 C ATOM 1796 CZ PHE A 117 -6.028 -11.947 22.351 1.00 0.00 C ATOM 0 H PHE A 117 -5.005 -8.653 18.886 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.984 -6.995 20.186 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.912 -8.315 22.234 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.426 -7.444 22.096 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.561 -8.678 21.736 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -2.871 -10.793 22.164 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.791 -10.764 22.120 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.112 -12.873 22.541 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.573 -12.865 22.516 1.00 0.00 H new ATOM 1806 N HIS A 118 -1.319 -8.813 19.506 1.00 0.00 N ATOM 1807 CA HIS A 118 -0.368 -9.799 18.958 1.00 0.00 C ATOM 1808 C HIS A 118 0.087 -10.772 20.069 1.00 0.00 C ATOM 1809 O HIS A 118 0.262 -10.366 21.223 1.00 0.00 O ATOM 1810 CB HIS A 118 0.857 -9.088 18.305 1.00 0.00 C ATOM 1811 CG HIS A 118 1.797 -10.047 17.608 1.00 0.00 C ATOM 1812 ND1 HIS A 118 1.512 -10.513 16.340 1.00 0.00 N ATOM 1813 CD2 HIS A 118 2.885 -10.689 18.090 1.00 0.00 C ATOM 1814 CE1 HIS A 118 2.412 -11.452 16.119 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.263 -11.587 17.141 1.00 0.00 N ATOM 0 H HIS A 118 -0.880 -7.956 19.843 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.872 -10.372 18.180 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.501 -8.351 17.586 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.406 -8.544 19.074 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.362 -10.521 19.044 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.456 -12.043 15.216 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.046 -12.239 17.198 1.00 0.00 H new ATOM 1823 N CYS A 119 0.280 -12.052 19.696 1.00 0.00 N ATOM 1824 CA CYS A 119 0.792 -13.103 20.601 1.00 0.00 C ATOM 1825 C CYS A 119 2.156 -13.606 20.104 1.00 0.00 C ATOM 1826 O CYS A 119 2.371 -13.713 18.894 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.195 -14.268 20.667 1.00 0.00 C ATOM 1828 SG CYS A 119 0.345 -15.656 21.704 1.00 0.00 S ATOM 0 H CYS A 119 0.084 -12.389 18.753 1.00 0.00 H new ATOM 0 HA CYS A 119 0.909 -12.680 21.599 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -1.148 -13.899 21.045 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -0.373 -14.634 19.656 1.00 0.00 H new ATOM 0 HG CYS A 119 0.065 -16.777 21.109 1.00 0.00 H new ATOM 1833 N LEU A 120 3.058 -13.938 21.045 1.00 0.00 N ATOM 1834 CA LEU A 120 4.461 -14.301 20.740 1.00 0.00 C ATOM 1835 C LEU A 120 4.563 -15.654 19.995 1.00 0.00 C ATOM 1836 O LEU A 120 5.125 -15.718 18.899 1.00 0.00 O ATOM 1837 CB LEU A 120 5.330 -14.301 22.042 1.00 0.00 C ATOM 1838 CG LEU A 120 5.718 -12.901 22.645 1.00 0.00 C ATOM 1839 CD1 LEU A 120 6.489 -12.043 21.617 1.00 0.00 C ATOM 1840 CD2 LEU A 120 4.496 -12.141 23.208 1.00 0.00 C ATOM 0 H LEU A 120 2.838 -13.963 22.041 1.00 0.00 H new ATOM 0 HA LEU A 120 4.856 -13.540 20.067 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.793 -14.862 22.807 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.250 -14.847 21.834 1.00 0.00 H new ATOM 0 HG LEU A 120 6.381 -13.094 23.488 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.743 -11.082 22.063 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.403 -12.560 21.324 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.866 -11.881 20.738 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.819 -11.181 23.612 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.772 -11.974 22.410 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.034 -12.731 24.000 1.00 0.00 H new ATOM 1852 N LYS A 121 3.998 -16.727 20.579 1.00 0.00 N ATOM 1853 CA LYS A 121 4.065 -18.093 19.991 1.00 0.00 C ATOM 1854 C LYS A 121 2.756 -18.421 19.214 1.00 0.00 C ATOM 1855 O LYS A 121 2.279 -19.560 19.177 1.00 0.00 O ATOM 1856 CB LYS A 121 4.383 -19.130 21.111 1.00 0.00 C ATOM 1857 CG LYS A 121 4.827 -20.538 20.618 1.00 0.00 C ATOM 1858 CD LYS A 121 6.096 -20.498 19.735 1.00 0.00 C ATOM 1859 CE LYS A 121 6.590 -21.902 19.329 1.00 0.00 C ATOM 1860 NZ LYS A 121 5.553 -22.686 18.603 1.00 0.00 N ATOM 0 H LYS A 121 3.487 -16.682 21.460 1.00 0.00 H new ATOM 0 HA LYS A 121 4.874 -18.143 19.262 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.170 -18.722 21.746 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.497 -19.246 21.736 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.012 -21.177 21.481 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.013 -20.992 20.054 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.889 -19.917 18.836 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.890 -19.980 20.273 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.474 -21.804 18.698 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.894 -22.448 20.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.952 -23.600 18.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.739 -22.849 19.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.243 -22.157 17.763 1.00 0.00 H new ATOM 1874 N CYS A 122 2.188 -17.379 18.590 1.00 0.00 N ATOM 1875 CA CYS A 122 1.124 -17.498 17.577 1.00 0.00 C ATOM 1876 C CYS A 122 1.352 -16.357 16.576 1.00 0.00 C ATOM 1877 O CYS A 122 1.130 -15.191 16.928 1.00 0.00 O ATOM 1878 CB CYS A 122 -0.302 -17.387 18.192 1.00 0.00 C ATOM 1879 SG CYS A 122 -0.688 -18.550 19.535 1.00 0.00 S ATOM 0 H CYS A 122 2.458 -16.413 18.777 1.00 0.00 H new ATOM 0 HA CYS A 122 1.174 -18.479 17.106 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.435 -16.373 18.568 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -1.031 -17.530 17.395 1.00 0.00 H new ATOM 0 HG CYS A 122 0.325 -19.341 19.729 1.00 0.00 H new ATOM 1884 N ASN A 123 1.828 -16.689 15.354 1.00 0.00 N ATOM 1885 CA ASN A 123 2.236 -15.695 14.328 1.00 0.00 C ATOM 1886 C ASN A 123 1.012 -15.015 13.677 1.00 0.00 C ATOM 1887 O ASN A 123 0.697 -15.248 12.498 1.00 0.00 O ATOM 1888 CB ASN A 123 3.154 -16.363 13.257 1.00 0.00 C ATOM 1889 CG ASN A 123 4.530 -16.787 13.793 1.00 0.00 C ATOM 1890 OD1 ASN A 123 4.689 -17.111 14.970 1.00 0.00 O ATOM 1891 ND2 ASN A 123 5.531 -16.800 12.925 1.00 0.00 N ATOM 0 H ASN A 123 1.941 -17.656 15.049 1.00 0.00 H new ATOM 0 HA ASN A 123 2.808 -14.912 14.826 1.00 0.00 H new ATOM 0 HB2 ASN A 123 2.647 -17.239 12.853 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.296 -15.668 12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.463 -17.084 13.226 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.369 -16.526 11.956 1.00 0.00 H new ATOM 1898 N LEU A 124 0.343 -14.157 14.472 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.933 -13.526 14.121 1.00 0.00 C ATOM 1900 C LEU A 124 -1.326 -12.536 15.235 1.00 0.00 C ATOM 1901 O LEU A 124 -0.913 -12.689 16.400 1.00 0.00 O ATOM 1902 CB LEU A 124 -2.048 -14.612 13.958 1.00 0.00 C ATOM 1903 CG LEU A 124 -3.468 -14.116 13.517 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -3.433 -13.467 12.115 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -4.506 -15.260 13.577 1.00 0.00 C ATOM 0 H LEU A 124 0.686 -13.882 15.392 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.826 -12.995 13.175 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.703 -15.344 13.228 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.152 -15.135 14.909 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.778 -13.348 14.225 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.435 -13.135 11.843 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.758 -12.611 12.127 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.081 -14.196 11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.480 -14.884 13.265 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.198 -16.066 12.911 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.572 -15.638 14.597 1.00 0.00 H new ATOM 1917 N CYS A 125 -2.094 -11.508 14.864 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.792 -10.643 15.817 1.00 0.00 C ATOM 1919 C CYS A 125 -4.223 -11.177 16.008 1.00 0.00 C ATOM 1920 O CYS A 125 -5.030 -11.168 15.073 1.00 0.00 O ATOM 1921 CB CYS A 125 -2.814 -9.189 15.316 1.00 0.00 C ATOM 1922 SG CYS A 125 -1.245 -8.291 15.498 1.00 0.00 S ATOM 0 H CYS A 125 -2.249 -11.252 13.889 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.268 -10.652 16.773 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -3.096 -9.187 14.263 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -3.591 -8.646 15.855 1.00 0.00 H new ATOM 0 HG CYS A 125 -0.290 -9.134 15.758 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.502 -11.670 17.219 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.802 -12.245 17.591 1.00 0.00 C ATOM 1929 C LEU A 126 -6.793 -11.123 17.926 1.00 0.00 C ATOM 1930 O LEU A 126 -6.386 -10.022 18.308 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.663 -13.198 18.816 1.00 0.00 C ATOM 1932 CG LEU A 126 -4.733 -14.453 18.663 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -5.094 -15.305 17.431 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.233 -14.090 18.671 1.00 0.00 C ATOM 0 H LEU A 126 -3.823 -11.682 17.980 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.172 -12.822 16.743 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.297 -12.610 19.658 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.660 -13.550 19.082 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.917 -15.064 19.547 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.421 -16.161 17.371 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.122 -15.657 17.521 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.995 -14.701 16.529 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.639 -14.997 18.562 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.018 -13.414 17.844 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.982 -13.602 19.613 1.00 0.00 H new ATOM 1946 N ALA A 127 -8.088 -11.425 17.798 1.00 0.00 N ATOM 1947 CA ALA A 127 -9.169 -10.492 18.139 1.00 0.00 C ATOM 1948 C ALA A 127 -9.431 -10.528 19.655 1.00 0.00 C ATOM 1949 O ALA A 127 -9.178 -11.547 20.311 1.00 0.00 O ATOM 1950 CB ALA A 127 -10.437 -10.842 17.348 1.00 0.00 C ATOM 0 H ALA A 127 -8.419 -12.326 17.454 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.872 -9.479 17.868 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -11.233 -10.144 17.608 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.230 -10.774 16.280 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.750 -11.857 17.593 1.00 0.00 H new ATOM 1956 N MET A 128 -9.951 -9.414 20.185 1.00 0.00 N ATOM 1957 CA MET A 128 -10.228 -9.224 21.627 1.00 0.00 C ATOM 1958 C MET A 128 -11.259 -10.252 22.151 1.00 0.00 C ATOM 1959 O MET A 128 -11.216 -10.637 23.323 1.00 0.00 O ATOM 1960 CB MET A 128 -10.724 -7.769 21.863 1.00 0.00 C ATOM 1961 CG MET A 128 -10.890 -7.348 23.335 1.00 0.00 C ATOM 1962 SD MET A 128 -9.337 -7.393 24.272 1.00 0.00 S ATOM 1963 CE MET A 128 -8.299 -6.241 23.362 1.00 0.00 C ATOM 0 H MET A 128 -10.198 -8.601 19.620 1.00 0.00 H new ATOM 0 HA MET A 128 -9.306 -9.389 22.185 1.00 0.00 H new ATOM 0 HB2 MET A 128 -10.023 -7.084 21.386 1.00 0.00 H new ATOM 0 HB3 MET A 128 -11.683 -7.646 21.359 1.00 0.00 H new ATOM 0 HG2 MET A 128 -11.301 -6.339 23.373 1.00 0.00 H new ATOM 0 HG3 MET A 128 -11.615 -8.006 23.814 1.00 0.00 H new ATOM 0 HE1 MET A 128 -7.398 -6.030 23.938 1.00 0.00 H new ATOM 0 HE2 MET A 128 -8.023 -6.680 22.403 1.00 0.00 H new ATOM 0 HE3 MET A 128 -8.846 -5.314 23.192 1.00 0.00 H new