USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=33 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 100 TYR OH : rot 109:sc= 1.02 USER MOD Set 1.2: A 102 CYS SG : rot -14:sc= 0.305 USER MOD Set 1.3: A 104 ASN : amide:sc= 0.107 K(o=2.7,f=-0.18) USER MOD Set 1.4: A 105 CYS SG : rot 173:sc= -0.438 USER MOD Set 1.5: A 118 HIS : no HE2:sc= 0.0687 K(o=2.7,f=1.5) USER MOD Set 1.6: A 123 ASN : amide:sc= 0.0556 K(o=2.7,f=-0.18!) USER MOD Set 1.7: A 125 CYS SG : rot -18:sc= 1.62 USER MOD Set 2.1: A 119 CYS SG : rot 158:sc= -4.48! USER MOD Set 2.2: A 122 CYS SG : rot 40:sc= -0.12 USER MOD Set 3.1: A 87 CYS SG : rot -137:sc= 0.464 USER MOD Set 3.2: A 90 CYS SG : rot 148:sc= -2.4! USER MOD Set 3.3: A 101 HIS : no HD1:sc= -0.0158 X(o=-4.4,f=-4.3) USER MOD Set 3.4: A 108 CYS SG : rot 160:sc= -2.41! USER MOD Set 4.1: A 62 CYS SG : rot -110:sc= -1.05! USER MOD Set 4.2: A 64 ASN : amide:sc= -3.42! C(o=-3!,f=-7.2!) USER MOD Set 4.3: A 65 CYS SG : rot -119:sc= -0.251 USER MOD Set 4.4: A 69 GLN : amide:sc= -0.683 K(o=-3,f=-6.1!) USER MOD Set 4.5: A 72 GLN : amide:sc= 0.167 K(o=-3,f=-6.9) USER MOD Set 4.6: A 75 CYS SG : rot 74:sc= 1.28 USER MOD Set 4.7: A 78 CYS SG : rot -155:sc= 0.383 USER MOD Set 4.8: A 80 THR OG1 : rot 91:sc= 0.522 USER MOD Set 5.1: A 46 ASN : amide:sc= -0.395 K(o=-0.55,f=0.18) USER MOD Set 5.2: A 47 ASN : amide:sc= -0.157 K(o=-0.55,f=0) USER MOD Set 6.1: A 33 CYS SG : rot 57:sc= -2.63! USER MOD Set 6.2: A 34 CYS SG : rot -172:sc= 0.151 USER MOD Set 6.3: A 44 HIS : no HE2:sc= -2.52! C(o=-4.9!,f=-7.9!) USER MOD Set 6.4: A 50 HIS : no HD1:sc= 0.102 K(o=-4.9,f=-5.9) USER MOD Set 7.1: A 20 CYS SG : rot -108:sc= -0.369 USER MOD Set 7.2: A 22 HIS : no HD1:sc= -0.381 K(o=-4.7,f=-5.7) USER MOD Set 7.3: A 40 CYS SG : rot 127:sc= -3.97! USER MOD Set 7.4: A 43 CYS SG : rot 86:sc= 0.0178 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -169:sc= -3.76! USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= 0.617 (180deg=0.0893) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 51 GLN : amide:sc= -0.0608 K(o=-0.061,f=-4!) 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= -2.35! C(o=-2.4!,f=-4.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.752 K(o=-0.75,f=-0.2) USER MOD Single : A 73 GLN : amide:sc= 0.0588 X(o=0.059,f=-0.19) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 0:sc= 0.0608 USER MOD Single : A 86 TYR OH : rot 15:sc= -0.714 USER MOD Single : A 91 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-3.7!) USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= -0.0366 (180deg=-0.261) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.0496 K(o=0.05,f=-1.2) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0285) USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 -9.503 8.511 -8.474 1.00 0.00 N ATOM 232 CA ARG A 18 -8.203 8.131 -7.897 1.00 0.00 C ATOM 233 C ARG A 18 -8.441 7.176 -6.717 1.00 0.00 C ATOM 234 O ARG A 18 -9.007 7.560 -5.687 1.00 0.00 O ATOM 235 CB ARG A 18 -7.327 9.364 -7.483 1.00 0.00 C ATOM 236 CG ARG A 18 -7.957 10.389 -6.515 1.00 0.00 C ATOM 237 CD ARG A 18 -8.989 11.298 -7.188 1.00 0.00 C ATOM 238 NE ARG A 18 -9.577 12.261 -6.245 1.00 0.00 N ATOM 239 CZ ARG A 18 -10.537 13.141 -6.547 1.00 0.00 C ATOM 240 NH1 ARG A 18 -11.140 13.126 -7.728 1.00 0.00 N ATOM 241 NH2 ARG A 18 -10.926 14.021 -5.641 1.00 0.00 N ATOM 0 HA ARG A 18 -7.625 7.621 -8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.411 8.989 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.038 9.892 -8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.433 9.857 -5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.168 11.004 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.516 11.838 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.781 10.687 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.226 12.257 -5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.874 12.433 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.870 13.807 -7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.494 14.026 -4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.658 14.695 -5.866 1.00 0.00 H new ATOM 255 N GLY A 19 -8.051 5.912 -6.912 1.00 0.00 N ATOM 256 CA GLY A 19 -8.222 4.857 -5.914 1.00 0.00 C ATOM 257 C GLY A 19 -8.801 3.595 -6.528 1.00 0.00 C ATOM 258 O GLY A 19 -8.909 3.485 -7.760 1.00 0.00 O ATOM 0 H GLY A 19 -7.606 5.593 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.260 4.630 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.879 5.210 -5.119 1.00 0.00 H new ATOM 262 N CYS A 20 -9.169 2.641 -5.665 1.00 0.00 N ATOM 263 CA CYS A 20 -9.773 1.365 -6.072 1.00 0.00 C ATOM 264 C CYS A 20 -10.513 0.742 -4.881 1.00 0.00 C ATOM 265 O CYS A 20 -10.300 1.140 -3.730 1.00 0.00 O ATOM 266 CB CYS A 20 -8.689 0.399 -6.613 1.00 0.00 C ATOM 267 SG CYS A 20 -9.311 -1.191 -7.269 1.00 0.00 S ATOM 0 H CYS A 20 -9.055 2.733 -4.656 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.488 1.548 -6.874 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.136 0.907 -7.403 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.981 0.190 -5.812 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.994 -2.151 -6.452 1.00 0.00 H new ATOM 272 N GLU A 21 -11.372 -0.256 -5.176 1.00 0.00 N ATOM 273 CA GLU A 21 -12.171 -0.993 -4.162 1.00 0.00 C ATOM 274 C GLU A 21 -11.295 -1.763 -3.136 1.00 0.00 C ATOM 275 O GLU A 21 -11.786 -2.187 -2.082 1.00 0.00 O ATOM 276 CB GLU A 21 -13.138 -1.965 -4.888 1.00 0.00 C ATOM 277 CG GLU A 21 -12.432 -3.022 -5.767 1.00 0.00 C ATOM 278 CD GLU A 21 -13.418 -3.921 -6.531 1.00 0.00 C ATOM 279 OE1 GLU A 21 -13.855 -4.954 -5.975 1.00 0.00 O ATOM 280 OE2 GLU A 21 -13.777 -3.586 -7.682 1.00 0.00 O ATOM 0 H GLU A 21 -11.535 -0.579 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.733 -0.257 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.748 -2.477 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.817 -1.385 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.781 -2.517 -6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.795 -3.643 -5.138 1.00 0.00 H new ATOM 287 N HIS A 22 -10.008 -1.950 -3.473 1.00 0.00 N ATOM 288 CA HIS A 22 -9.033 -2.654 -2.623 1.00 0.00 C ATOM 289 C HIS A 22 -8.247 -1.654 -1.746 1.00 0.00 C ATOM 290 O HIS A 22 -8.047 -1.890 -0.552 1.00 0.00 O ATOM 291 CB HIS A 22 -8.070 -3.478 -3.522 1.00 0.00 C ATOM 292 CG HIS A 22 -8.773 -4.522 -4.360 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.883 -4.414 -5.734 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.397 -5.655 -3.962 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.571 -5.471 -6.121 1.00 0.00 C ATOM 296 NE2 HIS A 22 -9.903 -6.248 -5.085 1.00 0.00 N ATOM 0 H HIS A 22 -9.612 -1.614 -4.351 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.564 -3.331 -1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.530 -2.798 -4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.328 -3.968 -2.892 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.480 -6.021 -2.949 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.833 -5.682 -7.147 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.433 -7.118 -5.125 1.00 0.00 H new ATOM 304 N TYR A 23 -7.788 -0.545 -2.367 1.00 0.00 N ATOM 305 CA TYR A 23 -7.033 0.533 -1.683 1.00 0.00 C ATOM 306 C TYR A 23 -7.522 1.890 -2.210 1.00 0.00 C ATOM 307 O TYR A 23 -7.458 2.129 -3.422 1.00 0.00 O ATOM 308 CB TYR A 23 -5.497 0.435 -1.960 1.00 0.00 C ATOM 309 CG TYR A 23 -4.845 -0.927 -1.669 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.360 -1.254 -0.398 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.705 -1.880 -2.681 1.00 0.00 C ATOM 312 CE1 TYR A 23 -3.761 -2.478 -0.158 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.116 -3.102 -2.441 1.00 0.00 C ATOM 314 CZ TYR A 23 -3.644 -3.399 -1.182 1.00 0.00 C ATOM 315 OH TYR A 23 -3.042 -4.614 -0.951 1.00 0.00 O ATOM 0 H TYR A 23 -7.931 -0.370 -3.362 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.202 0.430 -0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.320 0.684 -3.006 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.991 1.193 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.455 -0.541 0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.066 -1.654 -3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.386 -2.713 0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.025 -3.825 -3.238 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.044 -5.142 -1.777 1.00 0.00 H new ATOM 325 N ASP A 24 -8.009 2.765 -1.322 1.00 0.00 N ATOM 326 CA ASP A 24 -8.292 4.170 -1.672 1.00 0.00 C ATOM 327 C ASP A 24 -7.007 4.979 -1.508 1.00 0.00 C ATOM 328 O ASP A 24 -6.597 5.295 -0.381 1.00 0.00 O ATOM 329 CB ASP A 24 -9.419 4.784 -0.809 1.00 0.00 C ATOM 330 CG ASP A 24 -10.820 4.317 -1.214 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.424 4.937 -2.122 1.00 0.00 O ATOM 332 OD2 ASP A 24 -11.326 3.336 -0.628 1.00 0.00 O ATOM 0 H ASP A 24 -8.217 2.528 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.640 4.199 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.247 4.527 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.371 5.870 -0.882 1.00 0.00 H new ATOM 337 N ARG A 25 -6.362 5.271 -2.640 1.00 0.00 N ATOM 338 CA ARG A 25 -5.139 6.072 -2.682 1.00 0.00 C ATOM 339 C ARG A 25 -5.123 6.954 -3.936 1.00 0.00 C ATOM 340 O ARG A 25 -5.669 6.577 -4.980 1.00 0.00 O ATOM 341 CB ARG A 25 -3.885 5.153 -2.634 1.00 0.00 C ATOM 342 CG ARG A 25 -3.766 4.149 -3.793 1.00 0.00 C ATOM 343 CD ARG A 25 -2.523 3.240 -3.693 1.00 0.00 C ATOM 344 NE ARG A 25 -2.575 2.353 -2.516 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.631 1.464 -2.171 1.00 0.00 C ATOM 346 NH1 ARG A 25 -0.494 1.372 -2.849 1.00 0.00 N ATOM 347 NH2 ARG A 25 -1.821 0.692 -1.112 1.00 0.00 N ATOM 0 H ARG A 25 -6.676 4.956 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.116 6.722 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.994 5.781 -2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.895 4.600 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.661 3.527 -3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.732 4.696 -4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.442 2.637 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.626 3.858 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.396 2.421 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.326 1.984 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.212 0.690 -2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.679 0.776 -0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.109 0.013 -0.842 1.00 0.00 H new ATOM 361 N GLY A 26 -4.464 8.117 -3.827 1.00 0.00 N ATOM 362 CA GLY A 26 -4.274 9.023 -4.963 1.00 0.00 C ATOM 363 C GLY A 26 -3.049 8.667 -5.801 1.00 0.00 C ATOM 364 O GLY A 26 -2.521 9.527 -6.526 1.00 0.00 O ATOM 0 H GLY A 26 -4.052 8.451 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.162 8.998 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.174 10.044 -4.595 1.00 0.00 H new ATOM 368 N CYS A 27 -2.609 7.389 -5.732 1.00 0.00 N ATOM 369 CA CYS A 27 -1.385 6.920 -6.395 1.00 0.00 C ATOM 370 C CYS A 27 -1.544 5.500 -6.971 1.00 0.00 C ATOM 371 O CYS A 27 -2.514 4.791 -6.685 1.00 0.00 O ATOM 372 CB CYS A 27 -0.199 6.972 -5.411 1.00 0.00 C ATOM 373 SG CYS A 27 -0.438 6.009 -3.901 1.00 0.00 S ATOM 0 H CYS A 27 -3.098 6.659 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.189 7.587 -7.234 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.695 6.611 -5.920 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.014 8.011 -5.139 1.00 0.00 H new ATOM 0 HG CYS A 27 0.500 6.299 -3.049 1.00 0.00 H new ATOM 379 N LEU A 28 -0.570 5.115 -7.816 1.00 0.00 N ATOM 380 CA LEU A 28 -0.499 3.791 -8.461 1.00 0.00 C ATOM 381 C LEU A 28 0.886 3.190 -8.219 1.00 0.00 C ATOM 382 O LEU A 28 1.879 3.839 -8.509 1.00 0.00 O ATOM 383 CB LEU A 28 -0.723 3.916 -9.991 1.00 0.00 C ATOM 384 CG LEU A 28 -2.126 4.404 -10.453 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.136 4.722 -11.951 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.221 3.381 -10.112 1.00 0.00 C ATOM 0 H LEU A 28 0.204 5.727 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.275 3.154 -8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.024 4.602 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.535 2.942 -10.443 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.343 5.322 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.130 5.060 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.409 5.506 -12.161 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.877 3.826 -12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.187 3.756 -10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.004 2.436 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.249 3.224 -9.034 1.00 0.00 H new ATOM 398 N LEU A 29 0.929 1.950 -7.717 1.00 0.00 N ATOM 399 CA LEU A 29 2.184 1.200 -7.501 1.00 0.00 C ATOM 400 C LEU A 29 2.904 0.968 -8.842 1.00 0.00 C ATOM 401 O LEU A 29 2.440 0.162 -9.671 1.00 0.00 O ATOM 402 CB LEU A 29 1.887 -0.167 -6.815 1.00 0.00 C ATOM 403 CG LEU A 29 1.363 -0.103 -5.346 1.00 0.00 C ATOM 404 CD1 LEU A 29 1.082 -1.519 -4.784 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.331 0.688 -4.429 1.00 0.00 C ATOM 0 H LEU A 29 0.093 1.431 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 29 2.830 1.788 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.152 -0.700 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.800 -0.762 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 29 0.417 0.438 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.719 -1.438 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.328 -2.011 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.001 -2.105 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.933 0.712 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.307 0.202 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.434 1.707 -4.802 1.00 0.00 H new ATOM 417 N LYS A 30 3.995 1.720 -9.065 1.00 0.00 N ATOM 418 CA LYS A 30 4.858 1.523 -10.230 1.00 0.00 C ATOM 419 C LYS A 30 5.679 0.245 -10.018 1.00 0.00 C ATOM 420 O LYS A 30 6.610 0.213 -9.203 1.00 0.00 O ATOM 421 CB LYS A 30 5.775 2.736 -10.471 1.00 0.00 C ATOM 422 CG LYS A 30 6.550 2.647 -11.794 1.00 0.00 C ATOM 423 CD LYS A 30 7.445 3.868 -12.040 1.00 0.00 C ATOM 424 CE LYS A 30 8.241 3.719 -13.330 1.00 0.00 C ATOM 425 NZ LYS A 30 9.225 4.827 -13.511 1.00 0.00 N ATOM 0 H LYS A 30 4.297 2.473 -8.447 1.00 0.00 H new ATOM 0 HA LYS A 30 4.238 1.421 -11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.174 3.645 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.483 2.819 -9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.164 1.746 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.843 2.548 -12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.831 4.767 -12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.129 3.996 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.767 2.764 -13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.557 3.700 -14.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.100 4.449 -13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.824 5.548 -14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.437 5.257 -12.588 1.00 0.00 H new ATOM 439 N ALA A 31 5.284 -0.801 -10.744 1.00 0.00 N ATOM 440 CA ALA A 31 5.844 -2.146 -10.632 1.00 0.00 C ATOM 441 C ALA A 31 7.109 -2.237 -11.481 1.00 0.00 C ATOM 442 O ALA A 31 6.990 -2.295 -12.698 1.00 0.00 O ATOM 443 CB ALA A 31 4.801 -3.184 -11.098 1.00 0.00 C ATOM 0 H ALA A 31 4.546 -0.733 -11.445 1.00 0.00 H new ATOM 0 HA ALA A 31 6.100 -2.355 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.222 -4.186 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.910 -3.110 -10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.533 -2.990 -12.137 1.00 0.00 H new ATOM 449 N PRO A 32 8.339 -2.274 -10.875 1.00 0.00 N ATOM 450 CA PRO A 32 9.612 -2.277 -11.643 1.00 0.00 C ATOM 451 C PRO A 32 9.826 -3.600 -12.412 1.00 0.00 C ATOM 452 O PRO A 32 10.717 -3.699 -13.255 1.00 0.00 O ATOM 453 CB PRO A 32 10.685 -2.060 -10.544 1.00 0.00 C ATOM 454 CG PRO A 32 10.076 -2.654 -9.313 1.00 0.00 C ATOM 455 CD PRO A 32 8.592 -2.360 -9.407 1.00 0.00 C ATOM 0 HA PRO A 32 9.640 -1.514 -12.420 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.623 -2.552 -10.801 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.907 -1.002 -10.408 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.260 -3.727 -9.264 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.506 -2.215 -8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.998 -3.148 -8.944 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.336 -1.429 -8.902 1.00 0.00 H new ATOM 463 N CYS A 33 8.978 -4.604 -12.105 1.00 0.00 N ATOM 464 CA CYS A 33 8.957 -5.904 -12.788 1.00 0.00 C ATOM 465 C CYS A 33 8.545 -5.768 -14.276 1.00 0.00 C ATOM 466 O CYS A 33 8.907 -6.612 -15.098 1.00 0.00 O ATOM 467 CB CYS A 33 7.996 -6.845 -12.028 1.00 0.00 C ATOM 468 SG CYS A 33 6.323 -6.157 -11.777 1.00 0.00 S ATOM 0 H CYS A 33 8.281 -4.528 -11.364 1.00 0.00 H new ATOM 0 HA CYS A 33 9.963 -6.323 -12.785 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.913 -7.783 -12.577 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.429 -7.082 -11.056 1.00 0.00 H new ATOM 0 HG CYS A 33 5.802 -5.851 -12.928 1.00 0.00 H new ATOM 473 N CYS A 34 7.786 -4.694 -14.613 1.00 0.00 N ATOM 474 CA CYS A 34 7.332 -4.433 -16.009 1.00 0.00 C ATOM 475 C CYS A 34 6.976 -2.941 -16.251 1.00 0.00 C ATOM 476 O CYS A 34 6.382 -2.609 -17.283 1.00 0.00 O ATOM 477 CB CYS A 34 6.130 -5.342 -16.335 1.00 0.00 C ATOM 478 SG CYS A 34 4.768 -5.187 -15.152 1.00 0.00 S ATOM 0 H CYS A 34 7.474 -3.994 -13.940 1.00 0.00 H new ATOM 0 HA CYS A 34 8.161 -4.664 -16.678 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.763 -5.102 -17.333 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.464 -6.379 -16.359 1.00 0.00 H new ATOM 0 HG CYS A 34 3.876 -6.100 -15.396 1.00 0.00 H new ATOM 483 N ASP A 35 7.368 -2.059 -15.300 1.00 0.00 N ATOM 484 CA ASP A 35 7.173 -0.578 -15.370 1.00 0.00 C ATOM 485 C ASP A 35 5.685 -0.152 -15.499 1.00 0.00 C ATOM 486 O ASP A 35 5.390 0.949 -15.985 1.00 0.00 O ATOM 487 CB ASP A 35 8.048 0.029 -16.512 1.00 0.00 C ATOM 488 CG ASP A 35 9.558 -0.078 -16.233 1.00 0.00 C ATOM 489 OD1 ASP A 35 10.120 -1.196 -16.323 1.00 0.00 O ATOM 490 OD2 ASP A 35 10.188 0.951 -15.893 1.00 0.00 O ATOM 0 H ASP A 35 7.838 -2.356 -14.445 1.00 0.00 H new ATOM 0 HA ASP A 35 7.505 -0.171 -14.415 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.820 -0.481 -17.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.782 1.077 -16.648 1.00 0.00 H new ATOM 495 N LYS A 36 4.757 -1.002 -15.004 1.00 0.00 N ATOM 496 CA LYS A 36 3.291 -0.774 -15.128 1.00 0.00 C ATOM 497 C LYS A 36 2.695 -0.215 -13.821 1.00 0.00 C ATOM 498 O LYS A 36 3.185 -0.499 -12.730 1.00 0.00 O ATOM 499 CB LYS A 36 2.584 -2.095 -15.535 1.00 0.00 C ATOM 500 CG LYS A 36 2.972 -2.613 -16.940 1.00 0.00 C ATOM 501 CD LYS A 36 2.327 -3.979 -17.279 1.00 0.00 C ATOM 502 CE LYS A 36 0.802 -3.928 -17.475 1.00 0.00 C ATOM 503 NZ LYS A 36 0.401 -3.183 -18.696 1.00 0.00 N ATOM 0 H LYS A 36 4.996 -1.861 -14.510 1.00 0.00 H new ATOM 0 HA LYS A 36 3.125 -0.029 -15.906 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.821 -2.863 -14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.505 -1.942 -15.501 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.671 -1.879 -17.688 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.056 -2.704 -17.001 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.786 -4.368 -18.188 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.555 -4.684 -16.480 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.414 -4.945 -17.532 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.344 -3.460 -16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.636 -3.181 -18.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.745 -2.204 -18.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.813 -3.642 -19.534 1.00 0.00 H new ATOM 517 N LEU A 37 1.600 0.548 -13.963 1.00 0.00 N ATOM 518 CA LEU A 37 0.995 1.357 -12.873 1.00 0.00 C ATOM 519 C LEU A 37 -0.346 0.738 -12.419 1.00 0.00 C ATOM 520 O LEU A 37 -1.302 0.703 -13.206 1.00 0.00 O ATOM 521 CB LEU A 37 0.737 2.824 -13.350 1.00 0.00 C ATOM 522 CG LEU A 37 1.971 3.730 -13.674 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.934 3.831 -12.478 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.698 3.298 -14.964 1.00 0.00 C ATOM 0 H LEU A 37 1.097 0.627 -14.847 1.00 0.00 H new ATOM 0 HA LEU A 37 1.696 1.365 -12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.115 2.778 -14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.151 3.325 -12.580 1.00 0.00 H new ATOM 0 HG LEU A 37 1.582 4.731 -13.861 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.778 4.468 -12.743 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.410 4.259 -11.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.298 2.837 -12.219 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.546 3.959 -15.143 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.053 2.273 -14.856 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.009 3.356 -15.807 1.00 0.00 H new ATOM 536 N TYR A 38 -0.413 0.253 -11.158 1.00 0.00 N ATOM 537 CA TYR A 38 -1.644 -0.346 -10.575 1.00 0.00 C ATOM 538 C TYR A 38 -1.791 0.029 -9.096 1.00 0.00 C ATOM 539 O TYR A 38 -0.836 -0.083 -8.349 1.00 0.00 O ATOM 540 CB TYR A 38 -1.617 -1.894 -10.699 1.00 0.00 C ATOM 541 CG TYR A 38 -1.746 -2.428 -12.130 1.00 0.00 C ATOM 542 CD1 TYR A 38 -3.000 -2.657 -12.700 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.614 -2.719 -12.900 1.00 0.00 C ATOM 544 CE1 TYR A 38 -3.122 -3.158 -13.977 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.738 -3.216 -14.182 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.994 -3.437 -14.715 1.00 0.00 C ATOM 547 OH TYR A 38 -2.122 -3.945 -15.988 1.00 0.00 O ATOM 0 H TYR A 38 0.379 0.264 -10.515 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.492 0.050 -11.134 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.684 -2.262 -10.272 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.427 -2.307 -10.098 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.890 -2.437 -12.129 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.369 -2.553 -12.486 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.101 -3.332 -14.399 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.144 -3.432 -14.767 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.955 -3.619 -16.388 1.00 0.00 H new ATOM 557 N THR A 39 -3.010 0.431 -8.683 1.00 0.00 N ATOM 558 CA THR A 39 -3.354 0.741 -7.272 1.00 0.00 C ATOM 559 C THR A 39 -3.054 -0.459 -6.336 1.00 0.00 C ATOM 560 O THR A 39 -2.646 -0.290 -5.178 1.00 0.00 O ATOM 561 CB THR A 39 -4.880 1.100 -7.159 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.224 2.135 -8.084 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.289 1.546 -5.750 1.00 0.00 C ATOM 0 H THR A 39 -3.795 0.552 -9.323 1.00 0.00 H new ATOM 0 HA THR A 39 -2.741 1.588 -6.963 1.00 0.00 H new ATOM 0 HB THR A 39 -5.421 0.183 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.178 2.344 -8.001 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.354 1.780 -5.737 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.085 0.744 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.720 2.432 -5.469 1.00 0.00 H new ATOM 571 N CYS A 40 -3.253 -1.673 -6.879 1.00 0.00 N ATOM 572 CA CYS A 40 -3.175 -2.927 -6.121 1.00 0.00 C ATOM 573 C CYS A 40 -2.207 -3.892 -6.803 1.00 0.00 C ATOM 574 O CYS A 40 -2.046 -3.843 -8.030 1.00 0.00 O ATOM 575 CB CYS A 40 -4.568 -3.579 -6.071 1.00 0.00 C ATOM 576 SG CYS A 40 -5.935 -2.416 -5.887 1.00 0.00 S ATOM 0 H CYS A 40 -3.474 -1.809 -7.865 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.823 -2.709 -5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.718 -4.155 -6.984 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.595 -4.285 -5.241 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.811 -2.624 -6.825 1.00 0.00 H new ATOM 581 N ARG A 41 -1.615 -4.804 -6.013 1.00 0.00 N ATOM 582 CA ARG A 41 -0.778 -5.879 -6.558 1.00 0.00 C ATOM 583 C ARG A 41 -1.645 -6.905 -7.326 1.00 0.00 C ATOM 584 O ARG A 41 -1.293 -7.302 -8.421 1.00 0.00 O ATOM 585 CB ARG A 41 0.069 -6.571 -5.452 1.00 0.00 C ATOM 586 CG ARG A 41 -0.723 -7.257 -4.315 1.00 0.00 C ATOM 587 CD ARG A 41 0.154 -8.219 -3.488 1.00 0.00 C ATOM 588 NE ARG A 41 0.749 -9.259 -4.349 1.00 0.00 N ATOM 589 CZ ARG A 41 1.043 -10.515 -3.993 1.00 0.00 C ATOM 590 NH1 ARG A 41 0.831 -10.955 -2.758 1.00 0.00 N ATOM 591 NH2 ARG A 41 1.542 -11.336 -4.900 1.00 0.00 N ATOM 0 H ARG A 41 -1.702 -4.816 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.076 -5.429 -7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.706 -7.318 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.729 -5.825 -5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.143 -6.496 -3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.561 -7.808 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.944 -7.659 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.447 -8.687 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 41 0.957 -8.994 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.435 -10.331 -2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.064 -11.917 -2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.697 -11.009 -5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.772 -12.297 -4.647 1.00 0.00 H new ATOM 605 N LEU A 42 -2.803 -7.286 -6.749 1.00 0.00 N ATOM 606 CA LEU A 42 -3.732 -8.263 -7.368 1.00 0.00 C ATOM 607 C LEU A 42 -4.391 -7.716 -8.660 1.00 0.00 C ATOM 608 O LEU A 42 -4.662 -8.484 -9.587 1.00 0.00 O ATOM 609 CB LEU A 42 -4.822 -8.765 -6.365 1.00 0.00 C ATOM 610 CG LEU A 42 -5.862 -7.725 -5.808 1.00 0.00 C ATOM 611 CD1 LEU A 42 -7.135 -8.437 -5.285 1.00 0.00 C ATOM 612 CD2 LEU A 42 -5.260 -6.843 -4.690 1.00 0.00 C ATOM 0 H LEU A 42 -3.122 -6.930 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.117 -9.119 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.380 -9.563 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.309 -9.210 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.132 -7.076 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.837 -7.695 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.600 -8.994 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.864 -9.124 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.014 -6.140 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.936 -7.475 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.405 -6.292 -5.082 1.00 0.00 H new ATOM 624 N CYS A 43 -4.626 -6.384 -8.727 1.00 0.00 N ATOM 625 CA CYS A 43 -5.175 -5.730 -9.950 1.00 0.00 C ATOM 626 C CYS A 43 -4.149 -5.774 -11.110 1.00 0.00 C ATOM 627 O CYS A 43 -4.530 -5.809 -12.286 1.00 0.00 O ATOM 628 CB CYS A 43 -5.668 -4.280 -9.650 1.00 0.00 C ATOM 629 SG CYS A 43 -7.399 -4.193 -9.027 1.00 0.00 S ATOM 0 H CYS A 43 -4.447 -5.740 -7.956 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.049 -6.296 -10.272 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.004 -3.826 -8.914 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.590 -3.685 -10.560 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.405 -4.355 -7.737 1.00 0.00 H new ATOM 634 N HIS A 44 -2.850 -5.793 -10.757 1.00 0.00 N ATOM 635 CA HIS A 44 -1.753 -6.074 -11.707 1.00 0.00 C ATOM 636 C HIS A 44 -1.848 -7.526 -12.196 1.00 0.00 C ATOM 637 O HIS A 44 -1.941 -7.769 -13.394 1.00 0.00 O ATOM 638 CB HIS A 44 -0.382 -5.769 -11.021 1.00 0.00 C ATOM 639 CG HIS A 44 0.852 -6.399 -11.639 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.158 -7.731 -11.479 1.00 0.00 N ATOM 641 CD2 HIS A 44 1.921 -5.855 -12.312 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.347 -7.956 -12.017 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.861 -6.868 -12.534 1.00 0.00 N ATOM 0 H HIS A 44 -2.530 -5.614 -9.805 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.837 -5.431 -12.583 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.241 -4.688 -11.010 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.444 -6.093 -9.982 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.569 -8.427 -11.023 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.018 -4.823 -12.617 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.834 -8.920 -12.028 1.00 0.00 H new ATOM 651 N ASP A 45 -1.896 -8.464 -11.231 1.00 0.00 N ATOM 652 CA ASP A 45 -1.884 -9.928 -11.471 1.00 0.00 C ATOM 653 C ASP A 45 -3.029 -10.389 -12.401 1.00 0.00 C ATOM 654 O ASP A 45 -2.902 -11.395 -13.108 1.00 0.00 O ATOM 655 CB ASP A 45 -1.965 -10.687 -10.112 1.00 0.00 C ATOM 656 CG ASP A 45 -0.838 -10.366 -9.105 1.00 0.00 C ATOM 657 OD1 ASP A 45 0.078 -9.592 -9.433 1.00 0.00 O ATOM 658 OD2 ASP A 45 -0.884 -10.878 -7.966 1.00 0.00 O ATOM 0 H ASP A 45 -1.945 -8.225 -10.241 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.947 -10.164 -11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.923 -10.459 -9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.956 -11.758 -10.313 1.00 0.00 H new ATOM 663 N ASN A 46 -4.140 -9.630 -12.387 1.00 0.00 N ATOM 664 CA ASN A 46 -5.308 -9.863 -13.267 1.00 0.00 C ATOM 665 C ASN A 46 -4.928 -9.779 -14.768 1.00 0.00 C ATOM 666 O ASN A 46 -5.393 -10.581 -15.584 1.00 0.00 O ATOM 667 CB ASN A 46 -6.414 -8.823 -12.934 1.00 0.00 C ATOM 668 CG ASN A 46 -7.622 -8.858 -13.891 1.00 0.00 C ATOM 669 OD1 ASN A 46 -8.586 -9.594 -13.676 1.00 0.00 O ATOM 670 ND2 ASN A 46 -7.574 -8.057 -14.953 1.00 0.00 N ATOM 0 H ASN A 46 -4.257 -8.832 -11.762 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.677 -10.872 -13.084 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.765 -8.996 -11.917 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.977 -7.825 -12.955 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.349 -8.041 -15.616 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.762 -7.459 -15.104 1.00 0.00 H new ATOM 677 N ASN A 47 -4.086 -8.793 -15.104 1.00 0.00 N ATOM 678 CA ASN A 47 -3.694 -8.491 -16.500 1.00 0.00 C ATOM 679 C ASN A 47 -2.363 -9.166 -16.879 1.00 0.00 C ATOM 680 O ASN A 47 -1.995 -9.208 -18.062 1.00 0.00 O ATOM 681 CB ASN A 47 -3.571 -6.952 -16.686 1.00 0.00 C ATOM 682 CG ASN A 47 -4.886 -6.214 -16.413 1.00 0.00 C ATOM 683 OD1 ASN A 47 -5.713 -6.050 -17.310 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.097 -5.775 -15.174 1.00 0.00 N ATOM 0 H ASN A 47 -3.652 -8.176 -14.417 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.468 -8.887 -17.158 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -2.800 -6.570 -16.017 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.244 -6.739 -17.704 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.963 -5.287 -14.946 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.392 -5.926 -14.452 1.00 0.00 H new ATOM 691 N GLU A 48 -1.657 -9.701 -15.871 1.00 0.00 N ATOM 692 CA GLU A 48 -0.269 -10.165 -16.002 1.00 0.00 C ATOM 693 C GLU A 48 -0.142 -11.687 -15.849 1.00 0.00 C ATOM 694 O GLU A 48 -1.006 -12.349 -15.263 1.00 0.00 O ATOM 695 CB GLU A 48 0.580 -9.446 -14.926 1.00 0.00 C ATOM 696 CG GLU A 48 0.657 -7.916 -15.113 1.00 0.00 C ATOM 697 CD GLU A 48 1.709 -7.477 -16.124 1.00 0.00 C ATOM 698 OE1 GLU A 48 1.428 -7.439 -17.340 1.00 0.00 O ATOM 699 OE2 GLU A 48 2.840 -7.191 -15.705 1.00 0.00 O ATOM 0 H GLU A 48 -2.038 -9.824 -14.933 1.00 0.00 H new ATOM 0 HA GLU A 48 0.086 -9.926 -17.004 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.162 -9.662 -13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.590 -9.856 -14.940 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.318 -7.548 -15.433 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.873 -7.451 -14.151 1.00 0.00 H new ATOM 706 N ASP A 49 0.953 -12.207 -16.419 1.00 0.00 N ATOM 707 CA ASP A 49 1.403 -13.602 -16.259 1.00 0.00 C ATOM 708 C ASP A 49 2.088 -13.787 -14.890 1.00 0.00 C ATOM 709 O ASP A 49 1.986 -14.856 -14.278 1.00 0.00 O ATOM 710 CB ASP A 49 2.382 -13.955 -17.419 1.00 0.00 C ATOM 711 CG ASP A 49 3.116 -15.305 -17.259 1.00 0.00 C ATOM 712 OD1 ASP A 49 2.487 -16.367 -17.453 1.00 0.00 O ATOM 713 OD2 ASP A 49 4.325 -15.304 -16.923 1.00 0.00 O ATOM 0 H ASP A 49 1.568 -11.658 -17.020 1.00 0.00 H new ATOM 0 HA ASP A 49 0.545 -14.273 -16.298 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.824 -13.970 -18.355 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.125 -13.161 -17.503 1.00 0.00 H new ATOM 718 N HIS A 50 2.750 -12.717 -14.410 1.00 0.00 N ATOM 719 CA HIS A 50 3.574 -12.749 -13.175 1.00 0.00 C ATOM 720 C HIS A 50 2.923 -11.875 -12.078 1.00 0.00 C ATOM 721 O HIS A 50 1.898 -11.223 -12.325 1.00 0.00 O ATOM 722 CB HIS A 50 5.029 -12.297 -13.494 1.00 0.00 C ATOM 723 CG HIS A 50 5.166 -10.863 -13.946 1.00 0.00 C ATOM 724 ND1 HIS A 50 5.130 -10.454 -15.254 1.00 0.00 N ATOM 725 CD2 HIS A 50 5.328 -9.738 -13.214 1.00 0.00 C ATOM 726 CE1 HIS A 50 5.256 -9.118 -15.269 1.00 0.00 C ATOM 727 NE2 HIS A 50 5.376 -8.630 -14.047 1.00 0.00 N ATOM 0 H HIS A 50 2.732 -11.804 -14.864 1.00 0.00 H new ATOM 0 HA HIS A 50 3.622 -13.769 -12.794 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.642 -12.442 -12.604 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.434 -12.947 -14.270 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.408 -9.707 -12.137 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.259 -8.517 -16.167 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.481 -7.652 -13.776 1.00 0.00 H new ATOM 735 N GLN A 51 3.528 -11.852 -10.869 1.00 0.00 N ATOM 736 CA GLN A 51 2.955 -11.148 -9.698 1.00 0.00 C ATOM 737 C GLN A 51 3.714 -9.844 -9.382 1.00 0.00 C ATOM 738 O GLN A 51 4.932 -9.740 -9.600 1.00 0.00 O ATOM 739 CB GLN A 51 2.923 -12.073 -8.443 1.00 0.00 C ATOM 740 CG GLN A 51 4.305 -12.497 -7.889 1.00 0.00 C ATOM 741 CD GLN A 51 4.220 -13.405 -6.653 1.00 0.00 C ATOM 742 OE1 GLN A 51 3.284 -13.321 -5.862 1.00 0.00 O ATOM 743 NE2 GLN A 51 5.198 -14.279 -6.479 1.00 0.00 N ATOM 0 H GLN A 51 4.417 -12.315 -10.678 1.00 0.00 H new ATOM 0 HA GLN A 51 1.931 -10.883 -9.960 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.375 -11.562 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.359 -12.972 -8.691 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.858 -13.015 -8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.875 -11.603 -7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.964 -14.328 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.186 -14.904 -5.673 1.00 0.00 H new ATOM 752 N LEU A 52 2.952 -8.839 -8.923 1.00 0.00 N ATOM 753 CA LEU A 52 3.486 -7.615 -8.308 1.00 0.00 C ATOM 754 C LEU A 52 3.660 -7.920 -6.820 1.00 0.00 C ATOM 755 O LEU A 52 2.760 -8.507 -6.203 1.00 0.00 O ATOM 756 CB LEU A 52 2.499 -6.419 -8.533 1.00 0.00 C ATOM 757 CG LEU A 52 2.977 -4.949 -8.189 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.051 -3.898 -8.850 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.060 -4.671 -6.670 1.00 0.00 C ATOM 0 H LEU A 52 1.933 -8.855 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 52 4.438 -7.324 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.203 -6.431 -9.582 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.602 -6.618 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 52 3.986 -4.866 -8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.400 -2.896 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.068 -4.028 -9.932 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.032 -4.029 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.394 -3.646 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.077 -4.809 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.768 -5.361 -6.212 1.00 0.00 H new ATOM 771 N ASP A 53 4.809 -7.543 -6.255 1.00 0.00 N ATOM 772 CA ASP A 53 5.049 -7.662 -4.809 1.00 0.00 C ATOM 773 C ASP A 53 5.236 -6.253 -4.227 1.00 0.00 C ATOM 774 O ASP A 53 5.947 -5.418 -4.803 1.00 0.00 O ATOM 775 CB ASP A 53 6.279 -8.562 -4.518 1.00 0.00 C ATOM 776 CG ASP A 53 6.335 -9.060 -3.059 1.00 0.00 C ATOM 777 OD1 ASP A 53 6.572 -8.253 -2.139 1.00 0.00 O ATOM 778 OD2 ASP A 53 6.119 -10.265 -2.820 1.00 0.00 O ATOM 0 H ASP A 53 5.593 -7.151 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 53 4.192 -8.139 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.259 -9.421 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.189 -8.005 -4.740 1.00 0.00 H new ATOM 783 N ARG A 54 4.568 -6.010 -3.098 1.00 0.00 N ATOM 784 CA ARG A 54 4.574 -4.711 -2.391 1.00 0.00 C ATOM 785 C ARG A 54 5.970 -4.312 -1.855 1.00 0.00 C ATOM 786 O ARG A 54 6.199 -3.143 -1.585 1.00 0.00 O ATOM 787 CB ARG A 54 3.520 -4.686 -1.236 1.00 0.00 C ATOM 788 CG ARG A 54 3.755 -5.664 -0.040 1.00 0.00 C ATOM 789 CD ARG A 54 3.468 -7.135 -0.385 1.00 0.00 C ATOM 790 NE ARG A 54 3.590 -8.034 0.779 1.00 0.00 N ATOM 791 CZ ARG A 54 4.065 -9.292 0.732 1.00 0.00 C ATOM 792 NH1 ARG A 54 4.659 -9.756 -0.356 1.00 0.00 N ATOM 793 NH2 ARG A 54 4.002 -10.067 1.805 1.00 0.00 N ATOM 0 H ARG A 54 3.996 -6.716 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 54 4.298 -3.967 -3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.475 -3.671 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.542 -4.904 -1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.788 -5.573 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.121 -5.364 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.462 -7.216 -0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.158 -7.461 -1.163 1.00 0.00 H new ATOM 0 HE ARG A 54 3.292 -7.675 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.762 -9.157 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.014 -10.712 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.593 -9.710 2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.363 -11.020 1.767 1.00 0.00 H new ATOM 807 N PHE A 55 6.888 -5.277 -1.700 1.00 0.00 N ATOM 808 CA PHE A 55 8.279 -5.012 -1.257 1.00 0.00 C ATOM 809 C PHE A 55 9.217 -4.739 -2.451 1.00 0.00 C ATOM 810 O PHE A 55 10.361 -4.310 -2.257 1.00 0.00 O ATOM 811 CB PHE A 55 8.812 -6.197 -0.402 1.00 0.00 C ATOM 812 CG PHE A 55 8.186 -6.288 0.996 1.00 0.00 C ATOM 813 CD1 PHE A 55 8.749 -5.604 2.075 1.00 0.00 C ATOM 814 CD2 PHE A 55 7.038 -7.048 1.231 1.00 0.00 C ATOM 815 CE1 PHE A 55 8.190 -5.675 3.339 1.00 0.00 C ATOM 816 CE2 PHE A 55 6.478 -7.119 2.498 1.00 0.00 C ATOM 817 CZ PHE A 55 7.054 -6.433 3.551 1.00 0.00 C ATOM 0 H PHE A 55 6.695 -6.263 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 55 8.263 -4.113 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.624 -7.129 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.893 -6.101 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.637 -5.009 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.580 -7.588 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.642 -5.138 4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.590 -7.711 2.662 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.617 -6.489 4.537 1.00 0.00 H new ATOM 827 N LYS A 56 8.727 -4.985 -3.681 1.00 0.00 N ATOM 828 CA LYS A 56 9.519 -4.802 -4.917 1.00 0.00 C ATOM 829 C LYS A 56 9.338 -3.398 -5.517 1.00 0.00 C ATOM 830 O LYS A 56 10.280 -2.856 -6.108 1.00 0.00 O ATOM 831 CB LYS A 56 9.140 -5.893 -5.960 1.00 0.00 C ATOM 832 CG LYS A 56 9.553 -7.327 -5.553 1.00 0.00 C ATOM 833 CD LYS A 56 11.083 -7.486 -5.386 1.00 0.00 C ATOM 834 CE LYS A 56 11.857 -7.285 -6.705 1.00 0.00 C ATOM 835 NZ LYS A 56 13.327 -7.244 -6.494 1.00 0.00 N ATOM 0 H LYS A 56 7.776 -5.315 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 56 10.571 -4.906 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.062 -5.869 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.609 -5.648 -6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.061 -7.590 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.200 -8.030 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.439 -6.766 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.299 -8.479 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.613 -8.094 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.533 -6.357 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.805 -7.107 -7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.565 -6.456 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.642 -8.139 -6.069 1.00 0.00 H new ATOM 849 N VAL A 57 8.133 -2.814 -5.363 1.00 0.00 N ATOM 850 CA VAL A 57 7.837 -1.455 -5.879 1.00 0.00 C ATOM 851 C VAL A 57 8.643 -0.381 -5.121 1.00 0.00 C ATOM 852 O VAL A 57 8.934 -0.534 -3.937 1.00 0.00 O ATOM 853 CB VAL A 57 6.294 -1.125 -5.845 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.517 -1.993 -6.852 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.714 -1.283 -4.427 1.00 0.00 C ATOM 0 H VAL A 57 7.348 -3.258 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 57 8.147 -1.442 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 57 6.179 -0.081 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.457 -1.743 -6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.891 -1.805 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.653 -3.046 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.650 -1.048 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.854 -2.310 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.227 -0.603 -3.746 1.00 0.00 H new ATOM 865 N LYS A 58 9.013 0.689 -5.833 1.00 0.00 N ATOM 866 CA LYS A 58 9.854 1.781 -5.298 1.00 0.00 C ATOM 867 C LYS A 58 9.172 3.121 -5.567 1.00 0.00 C ATOM 868 O LYS A 58 9.020 3.956 -4.671 1.00 0.00 O ATOM 869 CB LYS A 58 11.271 1.725 -5.957 1.00 0.00 C ATOM 870 CG LYS A 58 12.237 2.888 -5.594 1.00 0.00 C ATOM 871 CD LYS A 58 12.453 3.067 -4.071 1.00 0.00 C ATOM 872 CE LYS A 58 13.036 1.821 -3.380 1.00 0.00 C ATOM 873 NZ LYS A 58 13.168 2.024 -1.915 1.00 0.00 N ATOM 0 H LYS A 58 8.738 0.829 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 58 9.977 1.666 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.744 0.784 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.146 1.707 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.201 2.709 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.844 3.817 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.122 3.911 -3.904 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.500 3.318 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.393 0.962 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.012 1.591 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.564 1.166 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.801 2.829 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.232 2.220 -1.506 1.00 0.00 H new ATOM 887 N GLU A 59 8.782 3.308 -6.824 1.00 0.00 N ATOM 888 CA GLU A 59 8.081 4.504 -7.289 1.00 0.00 C ATOM 889 C GLU A 59 6.571 4.272 -7.345 1.00 0.00 C ATOM 890 O GLU A 59 6.067 3.158 -7.114 1.00 0.00 O ATOM 891 CB GLU A 59 8.610 4.898 -8.686 1.00 0.00 C ATOM 892 CG GLU A 59 10.034 5.478 -8.695 1.00 0.00 C ATOM 893 CD GLU A 59 10.625 5.598 -10.115 1.00 0.00 C ATOM 894 OE1 GLU A 59 9.996 6.242 -10.981 1.00 0.00 O ATOM 895 OE2 GLU A 59 11.716 5.039 -10.374 1.00 0.00 O ATOM 0 H GLU A 59 8.946 2.623 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 59 8.269 5.313 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.587 4.018 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.931 5.631 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.023 6.463 -8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.682 4.845 -8.089 1.00 0.00 H new ATOM 902 N VAL A 60 5.874 5.352 -7.697 1.00 0.00 N ATOM 903 CA VAL A 60 4.429 5.406 -7.895 1.00 0.00 C ATOM 904 C VAL A 60 4.149 6.447 -8.998 1.00 0.00 C ATOM 905 O VAL A 60 5.083 7.025 -9.577 1.00 0.00 O ATOM 906 CB VAL A 60 3.627 5.795 -6.569 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.735 4.710 -5.470 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.057 7.186 -6.027 1.00 0.00 C ATOM 0 H VAL A 60 6.323 6.253 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 60 4.083 4.412 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 60 2.576 5.856 -6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.172 5.025 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.328 3.771 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.781 4.569 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.490 7.416 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.121 7.172 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.862 7.947 -6.782 1.00 0.00 H new ATOM 918 N GLN A 61 2.871 6.654 -9.321 1.00 0.00 N ATOM 919 CA GLN A 61 2.436 7.882 -10.018 1.00 0.00 C ATOM 920 C GLN A 61 1.216 8.459 -9.305 1.00 0.00 C ATOM 921 O GLN A 61 0.562 7.775 -8.534 1.00 0.00 O ATOM 922 CB GLN A 61 2.134 7.672 -11.528 1.00 0.00 C ATOM 923 CG GLN A 61 0.795 7.008 -11.880 1.00 0.00 C ATOM 924 CD GLN A 61 0.396 7.168 -13.363 1.00 0.00 C ATOM 925 OE1 GLN A 61 -0.246 6.298 -13.940 1.00 0.00 O ATOM 926 NE2 GLN A 61 0.748 8.292 -13.986 1.00 0.00 N ATOM 0 H GLN A 61 2.118 5.997 -9.116 1.00 0.00 H new ATOM 0 HA GLN A 61 3.270 8.583 -9.979 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.171 8.644 -12.020 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.935 7.068 -11.954 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.852 5.946 -11.640 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.012 7.435 -11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.282 9.005 -13.489 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.483 8.440 -14.960 1.00 0.00 H new ATOM 935 N CYS A 62 0.914 9.717 -9.594 1.00 0.00 N ATOM 936 CA CYS A 62 -0.214 10.448 -9.001 1.00 0.00 C ATOM 937 C CYS A 62 -1.385 10.383 -9.969 1.00 0.00 C ATOM 938 O CYS A 62 -1.270 10.891 -11.068 1.00 0.00 O ATOM 939 CB CYS A 62 0.231 11.894 -8.782 1.00 0.00 C ATOM 940 SG CYS A 62 -0.988 13.036 -8.070 1.00 0.00 S ATOM 0 H CYS A 62 1.451 10.274 -10.258 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.521 10.017 -8.048 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.105 11.884 -8.131 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.553 12.298 -9.742 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.357 13.896 -8.973 1.00 0.00 H new ATOM 945 N ILE A 63 -2.500 9.755 -9.571 1.00 0.00 N ATOM 946 CA ILE A 63 -3.645 9.522 -10.489 1.00 0.00 C ATOM 947 C ILE A 63 -4.344 10.865 -10.865 1.00 0.00 C ATOM 948 O ILE A 63 -4.980 10.978 -11.915 1.00 0.00 O ATOM 949 CB ILE A 63 -4.691 8.516 -9.870 1.00 0.00 C ATOM 950 CG1 ILE A 63 -3.980 7.329 -9.148 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.641 7.966 -10.962 1.00 0.00 C ATOM 952 CD1 ILE A 63 -4.912 6.319 -8.488 1.00 0.00 C ATOM 0 H ILE A 63 -2.642 9.397 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.243 9.073 -11.397 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.276 9.069 -9.135 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.357 6.805 -9.872 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.313 7.734 -8.388 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.353 7.275 -10.511 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.181 8.792 -11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.059 7.443 -11.721 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.322 5.535 -8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.518 6.822 -7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.563 5.878 -9.242 1.00 0.00 H new ATOM 964 N ASN A 64 -4.174 11.876 -9.989 1.00 0.00 N ATOM 965 CA ASN A 64 -4.807 13.212 -10.122 1.00 0.00 C ATOM 966 C ASN A 64 -4.139 14.068 -11.245 1.00 0.00 C ATOM 967 O ASN A 64 -4.839 14.723 -12.018 1.00 0.00 O ATOM 968 CB ASN A 64 -4.781 13.938 -8.722 1.00 0.00 C ATOM 969 CG ASN A 64 -3.867 15.171 -8.641 1.00 0.00 C ATOM 970 OD1 ASN A 64 -2.649 15.035 -8.653 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.430 16.366 -8.534 1.00 0.00 N ATOM 0 H ASN A 64 -3.588 11.791 -9.159 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.845 13.083 -10.430 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.797 14.241 -8.469 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.465 13.221 -7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.847 17.200 -8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.446 16.452 -8.526 1.00 0.00 H new ATOM 978 N CYS A 65 -2.777 14.066 -11.303 1.00 0.00 N ATOM 979 CA CYS A 65 -2.001 14.933 -12.247 1.00 0.00 C ATOM 980 C CYS A 65 -0.983 14.120 -13.065 1.00 0.00 C ATOM 981 O CYS A 65 -0.116 14.690 -13.731 1.00 0.00 O ATOM 982 CB CYS A 65 -1.304 16.112 -11.494 1.00 0.00 C ATOM 983 SG CYS A 65 0.169 15.698 -10.479 1.00 0.00 S ATOM 0 H CYS A 65 -2.192 13.477 -10.710 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.716 15.361 -12.950 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.008 16.858 -12.232 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.042 16.582 -10.844 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.060 16.004 -9.237 1.00 0.00 H new ATOM 988 N GLU A 66 -1.111 12.776 -12.997 1.00 0.00 N ATOM 989 CA GLU A 66 -0.394 11.797 -13.873 1.00 0.00 C ATOM 990 C GLU A 66 1.148 11.775 -13.683 1.00 0.00 C ATOM 991 O GLU A 66 1.840 11.033 -14.389 1.00 0.00 O ATOM 992 CB GLU A 66 -0.763 12.026 -15.371 1.00 0.00 C ATOM 993 CG GLU A 66 -2.270 11.914 -15.690 1.00 0.00 C ATOM 994 CD GLU A 66 -2.582 12.122 -17.184 1.00 0.00 C ATOM 995 OE1 GLU A 66 -2.354 11.184 -17.980 1.00 0.00 O ATOM 996 OE2 GLU A 66 -3.029 13.229 -17.571 1.00 0.00 O ATOM 0 H GLU A 66 -1.726 12.323 -12.321 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.740 10.813 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.415 13.015 -15.669 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.222 11.301 -15.979 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.630 10.932 -15.382 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.817 12.652 -15.103 1.00 0.00 H new ATOM 1003 N LYS A 67 1.672 12.539 -12.706 1.00 0.00 N ATOM 1004 CA LYS A 67 3.126 12.707 -12.519 1.00 0.00 C ATOM 1005 C LYS A 67 3.789 11.463 -11.905 1.00 0.00 C ATOM 1006 O LYS A 67 3.275 10.891 -10.938 1.00 0.00 O ATOM 1007 CB LYS A 67 3.414 13.945 -11.634 1.00 0.00 C ATOM 1008 CG LYS A 67 3.031 15.323 -12.244 1.00 0.00 C ATOM 1009 CD LYS A 67 4.110 15.941 -13.186 1.00 0.00 C ATOM 1010 CE LYS A 67 4.263 15.236 -14.545 1.00 0.00 C ATOM 1011 NZ LYS A 67 5.368 15.822 -15.355 1.00 0.00 N ATOM 0 H LYS A 67 1.106 13.053 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 67 3.558 12.852 -13.509 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.879 13.826 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.478 13.958 -11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.101 15.212 -12.802 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.834 16.023 -11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.861 16.988 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.072 15.924 -12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.454 14.175 -14.384 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.328 15.310 -15.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.438 15.319 -16.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.173 16.828 -15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.265 15.728 -14.837 1.00 0.00 H new ATOM 1025 N ILE A 68 4.956 11.106 -12.465 1.00 0.00 N ATOM 1026 CA ILE A 68 5.795 9.988 -11.988 1.00 0.00 C ATOM 1027 C ILE A 68 6.724 10.516 -10.886 1.00 0.00 C ATOM 1028 O ILE A 68 7.467 11.482 -11.098 1.00 0.00 O ATOM 1029 CB ILE A 68 6.644 9.345 -13.156 1.00 0.00 C ATOM 1030 CG1 ILE A 68 5.711 8.748 -14.263 1.00 0.00 C ATOM 1031 CG2 ILE A 68 7.634 8.268 -12.628 1.00 0.00 C ATOM 1032 CD1 ILE A 68 4.915 7.510 -13.854 1.00 0.00 C ATOM 0 H ILE A 68 5.351 11.590 -13.272 1.00 0.00 H new ATOM 0 HA ILE A 68 5.146 9.203 -11.599 1.00 0.00 H new ATOM 0 HB ILE A 68 7.238 10.143 -13.601 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.011 9.521 -14.579 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.321 8.496 -15.131 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.198 7.851 -13.463 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.323 8.724 -11.917 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.076 7.472 -12.134 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.302 7.178 -14.692 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.602 6.713 -13.569 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.272 7.754 -13.009 1.00 0.00 H new ATOM 1044 N GLN A 69 6.664 9.871 -9.719 1.00 0.00 N ATOM 1045 CA GLN A 69 7.391 10.299 -8.513 1.00 0.00 C ATOM 1046 C GLN A 69 7.597 9.103 -7.575 1.00 0.00 C ATOM 1047 O GLN A 69 6.990 8.052 -7.772 1.00 0.00 O ATOM 1048 CB GLN A 69 6.616 11.460 -7.824 1.00 0.00 C ATOM 1049 CG GLN A 69 5.106 11.192 -7.590 1.00 0.00 C ATOM 1050 CD GLN A 69 4.296 12.455 -7.245 1.00 0.00 C ATOM 1051 OE1 GLN A 69 3.128 12.573 -7.614 1.00 0.00 O ATOM 1052 NE2 GLN A 69 4.884 13.390 -6.509 1.00 0.00 N ATOM 0 H GLN A 69 6.106 9.029 -9.579 1.00 0.00 H new ATOM 0 HA GLN A 69 8.379 10.673 -8.783 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.086 11.670 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.720 12.358 -8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.685 10.735 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.996 10.469 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.853 13.272 -6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.367 14.226 -6.239 1.00 0.00 H new ATOM 1061 N HIS A 70 8.469 9.257 -6.563 1.00 0.00 N ATOM 1062 CA HIS A 70 8.790 8.152 -5.629 1.00 0.00 C ATOM 1063 C HIS A 70 7.614 7.888 -4.666 1.00 0.00 C ATOM 1064 O HIS A 70 6.697 8.710 -4.557 1.00 0.00 O ATOM 1065 CB HIS A 70 10.096 8.440 -4.838 1.00 0.00 C ATOM 1066 CG HIS A 70 9.970 9.390 -3.662 1.00 0.00 C ATOM 1067 ND1 HIS A 70 9.755 8.959 -2.367 1.00 0.00 N ATOM 1068 CD2 HIS A 70 10.053 10.742 -3.586 1.00 0.00 C ATOM 1069 CE1 HIS A 70 9.722 9.996 -1.556 1.00 0.00 C ATOM 1070 NE2 HIS A 70 9.900 11.092 -2.270 1.00 0.00 N ATOM 0 H HIS A 70 8.963 10.128 -6.368 1.00 0.00 H new ATOM 0 HA HIS A 70 8.954 7.253 -6.224 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.491 7.492 -4.472 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.833 8.847 -5.530 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.211 11.419 -4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.574 9.956 -0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.920 12.043 -1.902 1.00 0.00 H new ATOM 1079 N ALA A 71 7.662 6.745 -3.962 1.00 0.00 N ATOM 1080 CA ALA A 71 6.635 6.372 -2.978 1.00 0.00 C ATOM 1081 C ALA A 71 6.673 7.333 -1.768 1.00 0.00 C ATOM 1082 O ALA A 71 7.531 7.218 -0.887 1.00 0.00 O ATOM 1083 CB ALA A 71 6.826 4.910 -2.553 1.00 0.00 C ATOM 0 H ALA A 71 8.410 6.058 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 71 5.648 6.462 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.062 4.640 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.739 4.263 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.813 4.787 -2.107 1.00 0.00 H new ATOM 1089 N GLN A 72 5.767 8.320 -1.791 1.00 0.00 N ATOM 1090 CA GLN A 72 5.616 9.344 -0.738 1.00 0.00 C ATOM 1091 C GLN A 72 4.148 9.420 -0.288 1.00 0.00 C ATOM 1092 O GLN A 72 3.301 8.663 -0.781 1.00 0.00 O ATOM 1093 CB GLN A 72 6.148 10.718 -1.245 1.00 0.00 C ATOM 1094 CG GLN A 72 5.618 11.158 -2.631 1.00 0.00 C ATOM 1095 CD GLN A 72 6.383 12.337 -3.264 1.00 0.00 C ATOM 1096 OE1 GLN A 72 6.535 12.401 -4.478 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.832 13.297 -2.464 1.00 0.00 N ATOM 0 H GLN A 72 5.103 8.435 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 72 6.212 9.067 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.887 11.483 -0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 72 7.236 10.675 -1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.663 10.306 -3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.568 11.433 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.696 13.226 -1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.313 14.106 -2.858 1.00 0.00 H new ATOM 1106 N GLN A 73 3.864 10.282 0.699 1.00 0.00 N ATOM 1107 CA GLN A 73 2.505 10.449 1.247 1.00 0.00 C ATOM 1108 C GLN A 73 1.764 11.592 0.537 1.00 0.00 C ATOM 1109 O GLN A 73 0.542 11.557 0.407 1.00 0.00 O ATOM 1110 CB GLN A 73 2.567 10.720 2.773 1.00 0.00 C ATOM 1111 CG GLN A 73 1.182 10.802 3.460 1.00 0.00 C ATOM 1112 CD GLN A 73 1.233 10.980 4.982 1.00 0.00 C ATOM 1113 OE1 GLN A 73 2.169 11.568 5.528 1.00 0.00 O ATOM 1114 NE2 GLN A 73 0.214 10.481 5.675 1.00 0.00 N ATOM 0 H GLN A 73 4.563 10.881 1.139 1.00 0.00 H new ATOM 0 HA GLN A 73 1.955 9.524 1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.149 9.930 3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.100 11.655 2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.626 11.634 3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.624 9.894 3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.545 10.000 5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.191 10.579 6.690 1.00 0.00 H new ATOM 1123 N THR A 74 2.519 12.611 0.095 1.00 0.00 N ATOM 1124 CA THR A 74 1.958 13.820 -0.525 1.00 0.00 C ATOM 1125 C THR A 74 2.703 14.117 -1.840 1.00 0.00 C ATOM 1126 O THR A 74 3.935 14.064 -1.887 1.00 0.00 O ATOM 1127 CB THR A 74 2.068 15.052 0.446 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.774 14.640 1.798 1.00 0.00 O ATOM 1129 CG2 THR A 74 1.105 16.187 0.054 1.00 0.00 C ATOM 0 H THR A 74 3.537 12.619 0.158 1.00 0.00 H new ATOM 0 HA THR A 74 0.902 13.646 -0.734 1.00 0.00 H new ATOM 0 HB THR A 74 3.088 15.428 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.846 15.411 2.398 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.216 17.016 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.337 16.529 -0.955 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.079 15.821 0.086 1.00 0.00 H new ATOM 1137 N CYS A 75 1.937 14.408 -2.896 1.00 0.00 N ATOM 1138 CA CYS A 75 2.466 14.742 -4.227 1.00 0.00 C ATOM 1139 C CYS A 75 3.113 16.123 -4.219 1.00 0.00 C ATOM 1140 O CYS A 75 2.429 17.119 -4.016 1.00 0.00 O ATOM 1141 CB CYS A 75 1.324 14.727 -5.240 1.00 0.00 C ATOM 1142 SG CYS A 75 1.746 15.202 -6.950 1.00 0.00 S ATOM 0 H CYS A 75 0.918 14.419 -2.852 1.00 0.00 H new ATOM 0 HA CYS A 75 3.220 14.004 -4.499 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.899 13.724 -5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.542 15.397 -4.883 1.00 0.00 H new ATOM 0 HG CYS A 75 2.401 14.234 -7.520 1.00 0.00 H new ATOM 1147 N GLU A 76 4.413 16.172 -4.496 1.00 0.00 N ATOM 1148 CA GLU A 76 5.207 17.418 -4.492 1.00 0.00 C ATOM 1149 C GLU A 76 4.914 18.342 -5.711 1.00 0.00 C ATOM 1150 O GLU A 76 5.603 19.352 -5.892 1.00 0.00 O ATOM 1151 CB GLU A 76 6.716 17.045 -4.418 1.00 0.00 C ATOM 1152 CG GLU A 76 7.179 16.069 -5.517 1.00 0.00 C ATOM 1153 CD GLU A 76 8.616 15.565 -5.312 1.00 0.00 C ATOM 1154 OE1 GLU A 76 8.814 14.625 -4.513 1.00 0.00 O ATOM 1155 OE2 GLU A 76 9.550 16.105 -5.943 1.00 0.00 O ATOM 0 H GLU A 76 4.960 15.344 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 76 4.917 17.999 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.308 17.958 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.922 16.602 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.502 15.215 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.109 16.563 -6.486 1.00 0.00 H new ATOM 1162 N GLU A 77 3.880 18.024 -6.526 1.00 0.00 N ATOM 1163 CA GLU A 77 3.514 18.829 -7.718 1.00 0.00 C ATOM 1164 C GLU A 77 2.027 19.298 -7.688 1.00 0.00 C ATOM 1165 O GLU A 77 1.606 20.091 -8.537 1.00 0.00 O ATOM 1166 CB GLU A 77 3.848 18.007 -9.001 1.00 0.00 C ATOM 1167 CG GLU A 77 3.792 18.787 -10.335 1.00 0.00 C ATOM 1168 CD GLU A 77 4.620 20.090 -10.323 1.00 0.00 C ATOM 1169 OE1 GLU A 77 5.867 20.017 -10.274 1.00 0.00 O ATOM 1170 OE2 GLU A 77 4.026 21.194 -10.338 1.00 0.00 O ATOM 0 H GLU A 77 3.281 17.211 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 77 4.102 19.747 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.847 17.586 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.154 17.169 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.153 18.144 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.754 19.028 -10.562 1.00 0.00 H new ATOM 1177 N CYS A 78 1.225 18.827 -6.701 1.00 0.00 N ATOM 1178 CA CYS A 78 -0.182 19.305 -6.537 1.00 0.00 C ATOM 1179 C CYS A 78 -0.697 19.140 -5.086 1.00 0.00 C ATOM 1180 O CYS A 78 -1.893 19.335 -4.834 1.00 0.00 O ATOM 1181 CB CYS A 78 -1.152 18.604 -7.533 1.00 0.00 C ATOM 1182 SG CYS A 78 -1.521 16.868 -7.163 1.00 0.00 S ATOM 0 H CYS A 78 1.516 18.130 -6.016 1.00 0.00 H new ATOM 0 HA CYS A 78 -0.164 20.371 -6.765 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.089 19.161 -7.555 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -0.723 18.662 -8.534 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.872 16.257 -8.255 1.00 0.00 H new ATOM 1187 N SER A 79 0.211 18.788 -4.137 1.00 0.00 N ATOM 1188 CA SER A 79 -0.100 18.632 -2.689 1.00 0.00 C ATOM 1189 C SER A 79 -1.220 17.595 -2.402 1.00 0.00 C ATOM 1190 O SER A 79 -1.841 17.630 -1.335 1.00 0.00 O ATOM 1191 CB SER A 79 -0.415 20.018 -2.057 1.00 0.00 C ATOM 1192 OG SER A 79 0.677 20.912 -2.220 1.00 0.00 O ATOM 0 H SER A 79 1.189 18.603 -4.357 1.00 0.00 H new ATOM 0 HA SER A 79 0.791 18.223 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.307 20.439 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.635 19.896 -0.996 1.00 0.00 H new ATOM 0 HG SER A 79 0.455 21.777 -1.816 1.00 0.00 H new ATOM 1198 N THR A 80 -1.422 16.638 -3.335 1.00 0.00 N ATOM 1199 CA THR A 80 -2.472 15.607 -3.213 1.00 0.00 C ATOM 1200 C THR A 80 -2.011 14.480 -2.274 1.00 0.00 C ATOM 1201 O THR A 80 -0.966 13.858 -2.502 1.00 0.00 O ATOM 1202 CB THR A 80 -2.872 15.023 -4.612 1.00 0.00 C ATOM 1203 OG1 THR A 80 -3.491 16.055 -5.389 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.826 13.807 -4.525 1.00 0.00 C ATOM 0 H THR A 80 -0.866 16.560 -4.186 1.00 0.00 H new ATOM 0 HA THR A 80 -3.355 16.083 -2.787 1.00 0.00 H new ATOM 0 HB THR A 80 -1.955 14.668 -5.082 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.808 16.528 -5.908 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.060 13.456 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.345 13.006 -3.964 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.746 14.102 -4.020 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.811 14.246 -1.223 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.581 13.192 -0.235 1.00 0.00 C ATOM 1214 C LEU A 81 -2.861 11.804 -0.862 1.00 0.00 C ATOM 1215 O LEU A 81 -4.005 11.490 -1.212 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.498 13.442 0.995 1.00 0.00 C ATOM 1217 CG LEU A 81 -3.264 12.529 2.237 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -1.874 12.785 2.861 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -4.395 12.705 3.282 1.00 0.00 C ATOM 0 H LEU A 81 -3.650 14.796 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.540 13.209 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.375 14.479 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.534 13.326 0.677 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.288 11.493 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.738 12.135 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.100 12.575 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.803 13.826 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.205 12.056 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.425 13.743 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.351 12.440 2.831 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.794 11.020 -1.051 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.868 9.643 -1.568 1.00 0.00 C ATOM 1233 C PHE A 82 -2.548 8.698 -0.563 1.00 0.00 C ATOM 1234 O PHE A 82 -3.182 7.732 -0.961 1.00 0.00 O ATOM 1235 CB PHE A 82 -0.449 9.117 -1.921 1.00 0.00 C ATOM 1236 CG PHE A 82 0.253 9.839 -3.077 1.00 0.00 C ATOM 1237 CD1 PHE A 82 -0.472 10.507 -4.065 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.644 9.814 -3.192 1.00 0.00 C ATOM 1239 CE1 PHE A 82 0.169 11.118 -5.118 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.283 10.432 -4.244 1.00 0.00 C ATOM 1241 CZ PHE A 82 1.546 11.082 -5.206 1.00 0.00 C ATOM 0 H PHE A 82 -0.842 11.325 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.475 9.664 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.179 9.193 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.524 8.058 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.550 10.545 -4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.229 9.301 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.406 11.627 -5.877 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.360 10.406 -4.313 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.046 11.565 -6.032 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.399 8.990 0.732 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.018 8.185 1.784 1.00 0.00 C ATOM 1253 C GLY A 83 -2.933 8.870 3.127 1.00 0.00 C ATOM 1254 O GLY A 83 -1.876 9.427 3.456 1.00 0.00 O ATOM 0 H GLY A 83 -1.853 9.780 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.063 7.999 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.526 7.214 1.838 1.00 0.00 H new ATOM 1258 N GLU A 84 -4.042 8.843 3.905 1.00 0.00 N ATOM 1259 CA GLU A 84 -4.069 9.400 5.279 1.00 0.00 C ATOM 1260 C GLU A 84 -3.004 8.707 6.147 1.00 0.00 C ATOM 1261 O GLU A 84 -2.357 9.334 6.998 1.00 0.00 O ATOM 1262 CB GLU A 84 -5.463 9.221 5.932 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.635 9.890 5.186 1.00 0.00 C ATOM 1264 CD GLU A 84 -7.973 9.756 5.945 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -8.651 8.716 5.807 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -8.346 10.687 6.686 1.00 0.00 O ATOM 0 H GLU A 84 -4.930 8.441 3.604 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.855 10.467 5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.671 8.154 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.424 9.621 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.410 10.946 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.735 9.442 4.197 1.00 0.00 H new ATOM 1273 N TYR A 85 -2.843 7.402 5.897 1.00 0.00 N ATOM 1274 CA TYR A 85 -1.826 6.575 6.534 1.00 0.00 C ATOM 1275 C TYR A 85 -0.755 6.212 5.486 1.00 0.00 C ATOM 1276 O TYR A 85 -1.069 5.624 4.437 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.483 5.300 7.129 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.636 4.631 8.221 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -1.710 5.077 9.542 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -0.765 3.571 7.941 1.00 0.00 C ATOM 1281 CE1 TYR A 85 -0.958 4.495 10.538 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -0.009 2.986 8.939 1.00 0.00 C ATOM 1283 CZ TYR A 85 -0.112 3.452 10.235 1.00 0.00 C ATOM 1284 OH TYR A 85 0.644 2.883 11.234 1.00 0.00 O ATOM 0 H TYR A 85 -3.427 6.889 5.236 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.352 7.119 7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.456 5.562 7.544 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.660 4.583 6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.371 5.895 9.788 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.683 3.205 6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.032 4.856 11.553 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.658 2.169 8.707 1.00 0.00 H new ATOM 0 HH TYR A 85 0.459 3.336 12.083 1.00 0.00 H new ATOM 1294 N TYR A 86 0.497 6.592 5.772 1.00 0.00 N ATOM 1295 CA TYR A 86 1.663 6.282 4.924 1.00 0.00 C ATOM 1296 C TYR A 86 2.453 5.123 5.535 1.00 0.00 C ATOM 1297 O TYR A 86 2.466 4.949 6.763 1.00 0.00 O ATOM 1298 CB TYR A 86 2.573 7.533 4.805 1.00 0.00 C ATOM 1299 CG TYR A 86 3.910 7.315 4.054 1.00 0.00 C ATOM 1300 CD1 TYR A 86 3.945 7.166 2.668 1.00 0.00 C ATOM 1301 CD2 TYR A 86 5.134 7.256 4.738 1.00 0.00 C ATOM 1302 CE1 TYR A 86 5.139 6.972 1.997 1.00 0.00 C ATOM 1303 CE2 TYR A 86 6.326 7.059 4.063 1.00 0.00 C ATOM 1304 CZ TYR A 86 6.322 6.922 2.694 1.00 0.00 C ATOM 1305 OH TYR A 86 7.508 6.752 2.013 1.00 0.00 O ATOM 0 H TYR A 86 0.735 7.129 6.606 1.00 0.00 H new ATOM 0 HA TYR A 86 1.318 5.995 3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.015 8.320 4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.795 7.896 5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.022 7.203 2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.146 7.367 5.812 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.141 6.860 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 86 7.257 7.013 4.609 1.00 0.00 H new ATOM 0 HH TYR A 86 7.365 6.923 1.059 1.00 0.00 H new ATOM 1315 N CYS A 87 3.118 4.343 4.661 1.00 0.00 N ATOM 1316 CA CYS A 87 4.089 3.327 5.071 1.00 0.00 C ATOM 1317 C CYS A 87 4.894 2.867 3.853 1.00 0.00 C ATOM 1318 O CYS A 87 4.333 2.251 2.938 1.00 0.00 O ATOM 1319 CB CYS A 87 3.379 2.128 5.718 1.00 0.00 C ATOM 1320 SG CYS A 87 4.517 0.923 6.445 1.00 0.00 S ATOM 0 H CYS A 87 2.992 4.405 3.651 1.00 0.00 H new ATOM 0 HA CYS A 87 4.764 3.763 5.808 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.703 2.491 6.492 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.766 1.630 4.967 1.00 0.00 H new ATOM 0 HG CYS A 87 4.125 -0.280 6.145 1.00 0.00 H new ATOM 1325 N ASP A 88 6.207 3.151 3.859 1.00 0.00 N ATOM 1326 CA ASP A 88 7.119 2.804 2.748 1.00 0.00 C ATOM 1327 C ASP A 88 7.525 1.327 2.791 1.00 0.00 C ATOM 1328 O ASP A 88 7.737 0.731 1.751 1.00 0.00 O ATOM 1329 CB ASP A 88 8.384 3.696 2.767 1.00 0.00 C ATOM 1330 CG ASP A 88 9.142 3.651 4.103 1.00 0.00 C ATOM 1331 OD1 ASP A 88 8.760 4.400 5.026 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.101 2.855 4.247 1.00 0.00 O ATOM 0 H ASP A 88 6.670 3.628 4.633 1.00 0.00 H new ATOM 0 HA ASP A 88 6.574 2.983 1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.054 3.381 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.097 4.726 2.555 1.00 0.00 H new ATOM 1337 N ILE A 89 7.620 0.749 4.005 1.00 0.00 N ATOM 1338 CA ILE A 89 8.069 -0.647 4.197 1.00 0.00 C ATOM 1339 C ILE A 89 7.093 -1.634 3.516 1.00 0.00 C ATOM 1340 O ILE A 89 7.504 -2.524 2.767 1.00 0.00 O ATOM 1341 CB ILE A 89 8.236 -0.971 5.734 1.00 0.00 C ATOM 1342 CG1 ILE A 89 9.349 -0.057 6.350 1.00 0.00 C ATOM 1343 CG2 ILE A 89 8.544 -2.474 5.988 1.00 0.00 C ATOM 1344 CD1 ILE A 89 9.607 -0.250 7.836 1.00 0.00 C ATOM 0 H ILE A 89 7.390 1.231 4.874 1.00 0.00 H new ATOM 0 HA ILE A 89 9.044 -0.765 3.724 1.00 0.00 H new ATOM 0 HB ILE A 89 7.287 -0.761 6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.280 -0.235 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.076 0.984 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.650 -2.648 7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.727 -3.083 5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.471 -2.746 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 89 10.395 0.430 8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.694 -0.041 8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 89 9.917 -1.278 8.021 1.00 0.00 H new ATOM 1356 N CYS A 90 5.791 -1.416 3.745 1.00 0.00 N ATOM 1357 CA CYS A 90 4.723 -2.250 3.165 1.00 0.00 C ATOM 1358 C CYS A 90 4.281 -1.688 1.795 1.00 0.00 C ATOM 1359 O CYS A 90 3.618 -2.385 1.030 1.00 0.00 O ATOM 1360 CB CYS A 90 3.517 -2.280 4.122 1.00 0.00 C ATOM 1361 SG CYS A 90 3.904 -2.701 5.848 1.00 0.00 S ATOM 0 H CYS A 90 5.446 -0.659 4.336 1.00 0.00 H new ATOM 0 HA CYS A 90 5.106 -3.261 3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.035 -1.303 4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 90 2.792 -3.000 3.744 1.00 0.00 H new ATOM 0 HG CYS A 90 3.088 -2.072 6.641 1.00 0.00 H new ATOM 1366 N HIS A 91 4.626 -0.399 1.541 1.00 0.00 N ATOM 1367 CA HIS A 91 4.217 0.365 0.331 1.00 0.00 C ATOM 1368 C HIS A 91 2.679 0.475 0.191 1.00 0.00 C ATOM 1369 O HIS A 91 2.159 0.729 -0.911 1.00 0.00 O ATOM 1370 CB HIS A 91 4.862 -0.212 -0.958 1.00 0.00 C ATOM 1371 CG HIS A 91 6.352 -0.007 -1.063 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.273 -0.911 -0.579 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.076 0.990 -1.630 1.00 0.00 C ATOM 1374 CE1 HIS A 91 8.488 -0.486 -0.844 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.400 0.664 -1.477 1.00 0.00 N ATOM 0 H HIS A 91 5.204 0.147 2.179 1.00 0.00 H new ATOM 0 HA HIS A 91 4.595 1.379 0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.652 -1.280 -1.006 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.384 0.246 -1.824 1.00 0.00 H new ATOM 0 HD1 HIS A 91 7.046 -1.777 -0.090 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.684 1.874 -2.111 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.405 -0.995 -0.586 1.00 0.00 H new ATOM 1384 N LEU A 92 1.954 0.312 1.316 1.00 0.00 N ATOM 1385 CA LEU A 92 0.499 0.502 1.345 1.00 0.00 C ATOM 1386 C LEU A 92 0.218 1.957 1.740 1.00 0.00 C ATOM 1387 O LEU A 92 0.749 2.465 2.745 1.00 0.00 O ATOM 1388 CB LEU A 92 -0.208 -0.536 2.283 1.00 0.00 C ATOM 1389 CG LEU A 92 0.017 -0.429 3.842 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.992 0.536 4.527 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -0.047 -1.825 4.505 1.00 0.00 C ATOM 0 H LEU A 92 2.358 0.049 2.215 1.00 0.00 H new ATOM 0 HA LEU A 92 0.077 0.316 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.280 -0.470 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.108 -1.531 1.971 1.00 0.00 H new ATOM 0 HG LEU A 92 1.013 -0.010 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.792 0.572 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.884 1.535 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.008 0.179 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.111 -1.725 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.025 -2.270 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.728 -2.464 4.082 1.00 0.00 H new ATOM 1403 N PHE A 93 -0.532 2.643 0.880 1.00 0.00 N ATOM 1404 CA PHE A 93 -0.967 4.027 1.080 1.00 0.00 C ATOM 1405 C PHE A 93 -2.487 3.995 0.989 1.00 0.00 C ATOM 1406 O PHE A 93 -3.029 3.577 -0.038 1.00 0.00 O ATOM 1407 CB PHE A 93 -0.343 4.966 -0.003 1.00 0.00 C ATOM 1408 CG PHE A 93 1.143 4.688 -0.279 1.00 0.00 C ATOM 1409 CD1 PHE A 93 2.067 4.620 0.771 1.00 0.00 C ATOM 1410 CD2 PHE A 93 1.605 4.449 -1.574 1.00 0.00 C ATOM 1411 CE1 PHE A 93 3.392 4.333 0.527 1.00 0.00 C ATOM 1412 CE2 PHE A 93 2.935 4.163 -1.810 1.00 0.00 C ATOM 1413 CZ PHE A 93 3.827 4.106 -0.758 1.00 0.00 C ATOM 0 H PHE A 93 -0.863 2.243 0.002 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.640 4.422 2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.903 4.857 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.456 6.002 0.318 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.737 4.795 1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.913 4.488 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.092 4.286 1.348 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.278 3.984 -2.818 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.867 3.883 -0.944 1.00 0.00 H new ATOM 1423 N ASP A 94 -3.167 4.354 2.071 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.621 4.162 2.193 1.00 0.00 C ATOM 1425 C ASP A 94 -5.174 5.082 3.291 1.00 0.00 C ATOM 1426 O ASP A 94 -4.409 5.730 4.010 1.00 0.00 O ATOM 1427 CB ASP A 94 -4.919 2.652 2.483 1.00 0.00 C ATOM 1428 CG ASP A 94 -6.417 2.300 2.616 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -7.173 2.447 1.619 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -6.855 1.913 3.719 1.00 0.00 O ATOM 0 H ASP A 94 -2.736 4.785 2.889 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.120 4.429 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.489 2.051 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.410 2.366 3.404 1.00 0.00 H new ATOM 1435 N LYS A 95 -6.507 5.144 3.377 1.00 0.00 N ATOM 1436 CA LYS A 95 -7.236 5.882 4.414 1.00 0.00 C ATOM 1437 C LYS A 95 -6.853 5.408 5.830 1.00 0.00 C ATOM 1438 O LYS A 95 -6.481 4.242 6.037 1.00 0.00 O ATOM 1439 CB LYS A 95 -8.759 5.679 4.231 1.00 0.00 C ATOM 1440 CG LYS A 95 -9.282 5.935 2.798 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.731 5.430 2.599 1.00 0.00 C ATOM 1442 CE LYS A 95 -10.868 3.928 2.903 1.00 0.00 C ATOM 1443 NZ LYS A 95 -10.012 3.064 2.034 1.00 0.00 N ATOM 0 H LYS A 95 -7.122 4.673 2.714 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.969 6.934 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.012 4.658 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.284 6.342 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.240 7.003 2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.626 5.441 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.403 5.993 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.043 5.621 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.608 3.751 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.910 3.634 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.034 2.086 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.372 3.088 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.034 3.416 2.051 1.00 0.00 H new ATOM 1457 N ASP A 96 -7.005 6.307 6.799 1.00 0.00 N ATOM 1458 CA ASP A 96 -6.761 5.996 8.206 1.00 0.00 C ATOM 1459 C ASP A 96 -8.067 5.474 8.806 1.00 0.00 C ATOM 1460 O ASP A 96 -9.031 6.222 8.984 1.00 0.00 O ATOM 1461 CB ASP A 96 -6.253 7.244 8.977 1.00 0.00 C ATOM 1462 CG ASP A 96 -6.153 7.025 10.500 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -5.553 6.019 10.927 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -6.700 7.848 11.275 1.00 0.00 O ATOM 0 H ASP A 96 -7.300 7.269 6.632 1.00 0.00 H new ATOM 0 HA ASP A 96 -5.982 5.238 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.272 7.525 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.924 8.081 8.781 1.00 0.00 H new ATOM 1469 N LYS A 97 -8.076 4.174 9.097 1.00 0.00 N ATOM 1470 CA LYS A 97 -9.198 3.480 9.738 1.00 0.00 C ATOM 1471 C LYS A 97 -8.632 2.633 10.873 1.00 0.00 C ATOM 1472 O LYS A 97 -8.583 1.393 10.794 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.999 2.629 8.708 1.00 0.00 C ATOM 1474 CG LYS A 97 -10.859 3.466 7.729 1.00 0.00 C ATOM 1475 CD LYS A 97 -11.704 2.582 6.785 1.00 0.00 C ATOM 1476 CE LYS A 97 -12.728 3.379 5.959 1.00 0.00 C ATOM 1477 NZ LYS A 97 -13.542 2.492 5.076 1.00 0.00 N ATOM 0 H LYS A 97 -7.289 3.559 8.891 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.910 4.199 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.300 2.022 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.649 1.941 9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.520 4.120 8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.208 4.108 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.039 2.047 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.229 1.831 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.388 3.927 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.207 4.118 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.220 3.067 4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.915 1.987 4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.059 1.803 5.658 1.00 0.00 H new ATOM 1491 N LYS A 98 -8.089 3.361 11.879 1.00 0.00 N ATOM 1492 CA LYS A 98 -7.575 2.799 13.145 1.00 0.00 C ATOM 1493 C LYS A 98 -6.289 1.956 12.963 1.00 0.00 C ATOM 1494 O LYS A 98 -5.734 1.467 13.960 1.00 0.00 O ATOM 1495 CB LYS A 98 -8.677 1.968 13.866 1.00 0.00 C ATOM 1496 CG LYS A 98 -9.976 2.738 14.200 1.00 0.00 C ATOM 1497 CD LYS A 98 -9.757 3.855 15.240 1.00 0.00 C ATOM 1498 CE LYS A 98 -11.032 4.669 15.509 1.00 0.00 C ATOM 1499 NZ LYS A 98 -10.830 5.685 16.575 1.00 0.00 N ATOM 0 H LYS A 98 -7.996 4.375 11.829 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.301 3.650 13.769 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.932 1.113 13.239 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.261 1.571 14.792 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.381 3.173 13.286 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.721 2.038 14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.408 3.414 16.174 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.971 4.524 14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.346 5.165 14.591 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.838 3.995 15.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.714 6.212 16.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.555 5.211 17.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.079 6.345 16.288 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.799 1.836 11.703 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.717 0.897 11.341 1.00 0.00 C ATOM 1515 C GLN A 99 -3.368 1.352 11.930 1.00 0.00 C ATOM 1516 O GLN A 99 -3.114 2.552 12.079 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.619 0.722 9.795 1.00 0.00 C ATOM 1518 CG GLN A 99 -4.118 1.950 9.007 1.00 0.00 C ATOM 1519 CD GLN A 99 -3.870 1.651 7.520 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -2.805 1.158 7.153 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -4.818 1.991 6.654 1.00 0.00 N ATOM 0 H GLN A 99 -6.144 2.386 10.916 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.961 -0.073 11.773 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.954 -0.116 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.604 0.449 9.417 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.850 2.753 9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.194 2.312 9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.692 2.398 6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.672 1.845 5.655 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.505 0.381 12.242 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.234 0.617 12.946 1.00 0.00 C ATOM 1532 C TYR A 100 -0.152 -0.321 12.372 1.00 0.00 C ATOM 1533 O TYR A 100 -0.451 -1.483 12.038 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.446 0.380 14.472 1.00 0.00 C ATOM 1535 CG TYR A 100 -1.681 -1.095 14.870 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -2.839 -1.793 14.481 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -0.720 -1.805 15.595 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -3.018 -3.121 14.813 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -0.904 -3.130 15.919 1.00 0.00 C ATOM 1540 CZ TYR A 100 -2.046 -3.783 15.529 1.00 0.00 C ATOM 1541 OH TYR A 100 -2.205 -5.109 15.860 1.00 0.00 O ATOM 0 H TYR A 100 -2.667 -0.600 12.013 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.901 1.645 12.802 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.573 0.752 15.008 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.300 0.972 14.803 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.601 -1.281 13.913 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.185 -1.304 15.907 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.917 -3.639 14.512 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.148 -3.657 16.482 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.586 -5.655 15.331 1.00 0.00 H new ATOM 1551 N HIS A 101 1.094 0.178 12.217 1.00 0.00 N ATOM 1552 CA HIS A 101 2.208 -0.639 11.689 1.00 0.00 C ATOM 1553 C HIS A 101 2.908 -1.390 12.829 1.00 0.00 C ATOM 1554 O HIS A 101 3.338 -0.802 13.822 1.00 0.00 O ATOM 1555 CB HIS A 101 3.213 0.207 10.844 1.00 0.00 C ATOM 1556 CG HIS A 101 4.422 -0.584 10.358 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.408 -1.391 9.201 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.620 -0.736 10.985 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.595 -1.994 9.225 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.342 -1.627 10.267 1.00 0.00 N ATOM 0 H HIS A 101 1.352 1.137 12.449 1.00 0.00 H new ATOM 0 HA HIS A 101 1.785 -1.377 11.007 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.690 0.621 9.982 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.558 1.050 11.443 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.936 -0.237 11.889 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.919 -2.705 8.479 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.283 -1.957 10.483 1.00 0.00 H new ATOM 1568 N CYS A 102 2.975 -2.710 12.668 1.00 0.00 N ATOM 1569 CA CYS A 102 3.723 -3.601 13.548 1.00 0.00 C ATOM 1570 C CYS A 102 5.151 -3.805 13.015 1.00 0.00 C ATOM 1571 O CYS A 102 5.318 -4.163 11.843 1.00 0.00 O ATOM 1572 CB CYS A 102 3.039 -4.965 13.596 1.00 0.00 C ATOM 1573 SG CYS A 102 1.360 -5.020 14.258 1.00 0.00 S ATOM 0 H CYS A 102 2.502 -3.198 11.908 1.00 0.00 H new ATOM 0 HA CYS A 102 3.758 -3.152 14.541 1.00 0.00 H new ATOM 0 HB2 CYS A 102 3.017 -5.368 12.584 1.00 0.00 H new ATOM 0 HB3 CYS A 102 3.660 -5.634 14.192 1.00 0.00 H new ATOM 0 HG CYS A 102 1.100 -3.906 14.875 1.00 0.00 H new ATOM 1578 N GLU A 103 6.162 -3.595 13.873 1.00 0.00 N ATOM 1579 CA GLU A 103 7.562 -3.943 13.557 1.00 0.00 C ATOM 1580 C GLU A 103 7.755 -5.472 13.643 1.00 0.00 C ATOM 1581 O GLU A 103 8.452 -6.064 12.814 1.00 0.00 O ATOM 1582 CB GLU A 103 8.564 -3.229 14.512 1.00 0.00 C ATOM 1583 CG GLU A 103 8.597 -1.681 14.431 1.00 0.00 C ATOM 1584 CD GLU A 103 7.379 -0.982 15.069 1.00 0.00 C ATOM 1585 OE1 GLU A 103 7.379 -0.789 16.312 1.00 0.00 O ATOM 1586 OE2 GLU A 103 6.409 -0.652 14.354 1.00 0.00 O ATOM 0 H GLU A 103 6.037 -3.183 14.798 1.00 0.00 H new ATOM 0 HA GLU A 103 7.768 -3.602 12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.324 -3.514 15.536 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.565 -3.605 14.302 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.503 -1.323 14.920 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.662 -1.386 13.384 1.00 0.00 H new ATOM 1593 N ASN A 104 7.114 -6.096 14.660 1.00 0.00 N ATOM 1594 CA ASN A 104 7.181 -7.562 14.895 1.00 0.00 C ATOM 1595 C ASN A 104 6.528 -8.339 13.735 1.00 0.00 C ATOM 1596 O ASN A 104 7.143 -9.243 13.161 1.00 0.00 O ATOM 1597 CB ASN A 104 6.504 -7.934 16.246 1.00 0.00 C ATOM 1598 CG ASN A 104 6.530 -9.441 16.558 1.00 0.00 C ATOM 1599 OD1 ASN A 104 5.595 -10.175 16.231 1.00 0.00 O ATOM 1600 ND2 ASN A 104 7.602 -9.905 17.184 1.00 0.00 N ATOM 0 H ASN A 104 6.537 -5.601 15.340 1.00 0.00 H new ATOM 0 HA ASN A 104 8.232 -7.845 14.945 1.00 0.00 H new ATOM 0 HB2 ASN A 104 7.003 -7.397 17.052 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.469 -7.593 16.229 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.671 -10.897 17.410 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.358 -9.270 17.440 1.00 0.00 H new ATOM 1607 N CYS A 105 5.281 -7.962 13.395 1.00 0.00 N ATOM 1608 CA CYS A 105 4.529 -8.593 12.287 1.00 0.00 C ATOM 1609 C CYS A 105 5.066 -8.113 10.918 1.00 0.00 C ATOM 1610 O CYS A 105 4.826 -8.758 9.896 1.00 0.00 O ATOM 1611 CB CYS A 105 3.015 -8.296 12.424 1.00 0.00 C ATOM 1612 SG CYS A 105 2.310 -8.720 14.060 1.00 0.00 S ATOM 0 H CYS A 105 4.769 -7.220 13.873 1.00 0.00 H new ATOM 0 HA CYS A 105 4.671 -9.672 12.343 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.845 -7.237 12.232 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.477 -8.850 11.655 1.00 0.00 H new ATOM 0 HG CYS A 105 1.082 -8.299 14.125 1.00 0.00 H new ATOM 1617 N GLY A 106 5.768 -6.955 10.920 1.00 0.00 N ATOM 1618 CA GLY A 106 6.442 -6.421 9.724 1.00 0.00 C ATOM 1619 C GLY A 106 5.525 -5.606 8.816 1.00 0.00 C ATOM 1620 O GLY A 106 5.982 -5.016 7.828 1.00 0.00 O ATOM 0 H GLY A 106 5.880 -6.371 11.749 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.278 -5.795 10.038 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.861 -7.250 9.153 1.00 0.00 H new ATOM 1624 N ILE A 107 4.225 -5.548 9.167 1.00 0.00 N ATOM 1625 CA ILE A 107 3.164 -4.961 8.316 1.00 0.00 C ATOM 1626 C ILE A 107 2.138 -4.178 9.149 1.00 0.00 C ATOM 1627 O ILE A 107 2.057 -4.336 10.370 1.00 0.00 O ATOM 1628 CB ILE A 107 2.393 -6.078 7.500 1.00 0.00 C ATOM 1629 CG1 ILE A 107 1.917 -7.230 8.457 1.00 0.00 C ATOM 1630 CG2 ILE A 107 3.261 -6.622 6.342 1.00 0.00 C ATOM 1631 CD1 ILE A 107 1.004 -8.262 7.811 1.00 0.00 C ATOM 0 H ILE A 107 3.876 -5.909 10.055 1.00 0.00 H new ATOM 0 HA ILE A 107 3.667 -4.283 7.627 1.00 0.00 H new ATOM 0 HB ILE A 107 1.507 -5.627 7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.795 -7.740 8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.397 -6.786 9.306 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.706 -7.387 5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.514 -5.808 5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.176 -7.055 6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.728 -9.016 8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.104 -7.771 7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.525 -8.739 6.981 1.00 0.00 H new ATOM 1643 N CYS A 108 1.352 -3.338 8.449 1.00 0.00 N ATOM 1644 CA CYS A 108 0.145 -2.688 8.994 1.00 0.00 C ATOM 1645 C CYS A 108 -1.100 -3.254 8.297 1.00 0.00 C ATOM 1646 O CYS A 108 -1.047 -3.630 7.121 1.00 0.00 O ATOM 1647 CB CYS A 108 0.212 -1.140 8.850 1.00 0.00 C ATOM 1648 SG CYS A 108 1.155 -0.527 7.433 1.00 0.00 S ATOM 0 H CYS A 108 1.540 -3.089 7.478 1.00 0.00 H new ATOM 0 HA CYS A 108 0.087 -2.904 10.061 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.805 -0.755 8.781 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.648 -0.727 9.760 1.00 0.00 H new ATOM 0 HG CYS A 108 0.800 0.696 7.172 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.204 -3.312 9.048 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.496 -3.852 8.579 1.00 0.00 C ATOM 1655 C ARG A 109 -4.611 -3.059 9.285 1.00 0.00 C ATOM 1656 O ARG A 109 -4.389 -2.559 10.403 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.546 -5.390 8.898 1.00 0.00 C ATOM 1658 CG ARG A 109 -4.665 -6.234 8.208 1.00 0.00 C ATOM 1659 CD ARG A 109 -6.009 -6.257 8.959 1.00 0.00 C ATOM 1660 NE ARG A 109 -6.994 -7.123 8.285 1.00 0.00 N ATOM 1661 CZ ARG A 109 -8.291 -7.250 8.623 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -8.822 -6.538 9.615 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -9.061 -8.088 7.946 1.00 0.00 N ATOM 0 H ARG A 109 -2.232 -2.982 10.013 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.627 -3.744 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -2.583 -5.821 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -3.654 -5.506 9.976 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.831 -5.841 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.310 -7.258 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.851 -6.610 9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.404 -5.243 9.030 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.664 -7.674 7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.243 -5.880 10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.807 -6.651 9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -8.670 -8.631 7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.045 -8.191 8.195 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.785 -2.926 8.621 1.00 0.00 N ATOM 1678 CA ILE A 110 -6.956 -2.221 9.191 1.00 0.00 C ATOM 1679 C ILE A 110 -7.390 -2.934 10.487 1.00 0.00 C ATOM 1680 O ILE A 110 -7.989 -4.012 10.444 1.00 0.00 O ATOM 1681 CB ILE A 110 -8.160 -2.152 8.168 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.735 -1.427 6.840 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.404 -1.469 8.805 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -7.400 0.051 6.993 1.00 0.00 C ATOM 0 H ILE A 110 -5.945 -3.300 7.686 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.666 -1.193 9.410 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.437 -3.175 7.916 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.867 -1.940 6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.542 -1.528 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.214 -1.437 8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.724 -2.037 9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.147 -0.454 9.107 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.119 0.463 6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.271 0.584 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.570 0.166 7.690 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.030 -2.336 11.622 1.00 0.00 N ATOM 1697 CA GLY A 111 -7.249 -2.935 12.924 1.00 0.00 C ATOM 1698 C GLY A 111 -7.055 -1.914 14.023 1.00 0.00 C ATOM 1699 O GLY A 111 -5.994 -1.289 14.067 1.00 0.00 O ATOM 0 H GLY A 111 -6.578 -1.422 11.657 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.258 -3.345 12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.559 -3.767 13.068 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.057 -1.703 14.927 1.00 0.00 N ATOM 1704 CA PRO A 112 -7.909 -0.770 16.055 1.00 0.00 C ATOM 1705 C PRO A 112 -6.905 -1.324 17.073 1.00 0.00 C ATOM 1706 O PRO A 112 -7.181 -2.328 17.703 1.00 0.00 O ATOM 1707 CB PRO A 112 -9.347 -0.664 16.625 1.00 0.00 C ATOM 1708 CG PRO A 112 -9.995 -1.967 16.261 1.00 0.00 C ATOM 1709 CD PRO A 112 -9.390 -2.378 14.934 1.00 0.00 C ATOM 0 HA PRO A 112 -7.515 0.207 15.776 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.336 -0.515 17.705 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -9.884 0.180 16.192 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -9.809 -2.722 17.025 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.076 -1.856 16.179 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.291 -3.461 14.858 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.007 -2.055 14.096 1.00 0.00 H new ATOM 1717 N LYS A 113 -5.739 -0.658 17.191 1.00 0.00 N ATOM 1718 CA LYS A 113 -4.578 -1.118 18.011 1.00 0.00 C ATOM 1719 C LYS A 113 -4.959 -1.494 19.468 1.00 0.00 C ATOM 1720 O LYS A 113 -4.333 -2.361 20.081 1.00 0.00 O ATOM 1721 CB LYS A 113 -3.497 -0.006 18.034 1.00 0.00 C ATOM 1722 CG LYS A 113 -3.979 1.320 18.670 1.00 0.00 C ATOM 1723 CD LYS A 113 -2.896 2.414 18.699 1.00 0.00 C ATOM 1724 CE LYS A 113 -2.475 2.886 17.302 1.00 0.00 C ATOM 1725 NZ LYS A 113 -1.428 3.930 17.380 1.00 0.00 N ATOM 0 H LYS A 113 -5.565 0.228 16.716 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.200 -2.026 17.541 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -2.629 -0.368 18.585 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.168 0.190 17.013 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.842 1.688 18.115 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.315 1.125 19.688 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.266 3.267 19.267 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.020 2.035 19.226 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.104 2.038 16.726 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.343 3.277 16.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.164 4.229 16.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.792 4.748 17.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.592 3.547 17.866 1.00 0.00 H new ATOM 1739 N GLU A 114 -5.981 -0.808 20.000 1.00 0.00 N ATOM 1740 CA GLU A 114 -6.531 -1.052 21.343 1.00 0.00 C ATOM 1741 C GLU A 114 -7.134 -2.474 21.467 1.00 0.00 C ATOM 1742 O GLU A 114 -7.041 -3.108 22.525 1.00 0.00 O ATOM 1743 CB GLU A 114 -7.585 0.039 21.708 1.00 0.00 C ATOM 1744 CG GLU A 114 -8.657 0.347 20.616 1.00 0.00 C ATOM 1745 CD GLU A 114 -8.333 1.594 19.754 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -7.552 1.486 18.782 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -8.849 2.694 20.064 1.00 0.00 O ATOM 0 H GLU A 114 -6.457 -0.056 19.502 1.00 0.00 H new ATOM 0 HA GLU A 114 -5.709 -0.989 22.056 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.100 -0.271 22.617 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.056 0.963 21.941 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.755 -0.519 19.962 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.623 0.492 21.099 1.00 0.00 H new ATOM 1754 N ASP A 115 -7.737 -2.955 20.374 1.00 0.00 N ATOM 1755 CA ASP A 115 -8.360 -4.297 20.297 1.00 0.00 C ATOM 1756 C ASP A 115 -7.465 -5.285 19.499 1.00 0.00 C ATOM 1757 O ASP A 115 -7.568 -6.488 19.671 1.00 0.00 O ATOM 1758 CB ASP A 115 -9.775 -4.175 19.650 1.00 0.00 C ATOM 1759 CG ASP A 115 -10.605 -5.479 19.685 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -11.127 -5.829 20.759 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -10.739 -6.158 18.651 1.00 0.00 O ATOM 0 H ASP A 115 -7.811 -2.425 19.506 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.463 -4.698 21.305 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.330 -3.391 20.164 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -9.662 -3.858 18.613 1.00 0.00 H new ATOM 1766 N PHE A 116 -6.560 -4.765 18.660 1.00 0.00 N ATOM 1767 CA PHE A 116 -5.766 -5.576 17.708 1.00 0.00 C ATOM 1768 C PHE A 116 -4.327 -5.702 18.247 1.00 0.00 C ATOM 1769 O PHE A 116 -3.676 -4.691 18.530 1.00 0.00 O ATOM 1770 CB PHE A 116 -5.812 -4.932 16.281 1.00 0.00 C ATOM 1771 CG PHE A 116 -5.940 -5.932 15.122 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -7.198 -6.399 14.722 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -4.818 -6.407 14.439 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -7.325 -7.301 13.680 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -4.948 -7.306 13.398 1.00 0.00 C ATOM 1776 CZ PHE A 116 -6.199 -7.756 13.018 1.00 0.00 C ATOM 0 H PHE A 116 -6.352 -3.767 18.617 1.00 0.00 H new ATOM 0 HA PHE A 116 -6.186 -6.577 17.615 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -6.653 -4.239 16.238 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -4.906 -4.343 16.135 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -8.082 -6.050 15.234 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.835 -6.067 14.729 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -8.303 -7.650 13.384 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.069 -7.659 12.879 1.00 0.00 H new ATOM 0 HZ PHE A 116 -6.297 -8.461 12.206 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.843 -6.944 18.371 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.557 -7.275 19.021 1.00 0.00 C ATOM 1788 C PHE A 117 -1.890 -8.448 18.280 1.00 0.00 C ATOM 1789 O PHE A 117 -2.464 -8.989 17.348 1.00 0.00 O ATOM 1790 CB PHE A 117 -2.798 -7.645 20.520 1.00 0.00 C ATOM 1791 CG PHE A 117 -3.482 -9.004 20.735 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -4.831 -9.183 20.426 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -2.760 -10.107 21.207 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -5.432 -10.410 20.588 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -3.367 -11.337 21.361 1.00 0.00 C ATOM 1796 CZ PHE A 117 -4.702 -11.487 21.050 1.00 0.00 C ATOM 0 H PHE A 117 -4.337 -7.764 18.019 1.00 0.00 H new ATOM 0 HA PHE A 117 -1.897 -6.409 18.978 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.840 -7.648 21.040 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.408 -6.868 20.980 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -5.409 -8.349 20.056 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -1.715 -9.994 21.454 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.479 -10.531 20.353 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -2.798 -12.180 21.724 1.00 0.00 H new ATOM 0 HZ PHE A 117 -5.178 -12.449 21.168 1.00 0.00 H new ATOM 1806 N HIS A 118 -0.691 -8.849 18.727 1.00 0.00 N ATOM 1807 CA HIS A 118 0.050 -10.029 18.194 1.00 0.00 C ATOM 1808 C HIS A 118 0.387 -10.989 19.346 1.00 0.00 C ATOM 1809 O HIS A 118 0.663 -10.546 20.463 1.00 0.00 O ATOM 1810 CB HIS A 118 1.337 -9.599 17.406 1.00 0.00 C ATOM 1811 CG HIS A 118 1.839 -8.229 17.766 1.00 0.00 C ATOM 1812 ND1 HIS A 118 1.336 -7.130 17.115 1.00 0.00 N ATOM 1813 CD2 HIS A 118 2.669 -7.831 18.760 1.00 0.00 C ATOM 1814 CE1 HIS A 118 1.860 -6.093 17.744 1.00 0.00 C ATOM 1815 NE2 HIS A 118 2.668 -6.472 18.742 1.00 0.00 N ATOM 0 H HIS A 118 -0.194 -8.367 19.476 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.590 -10.548 17.481 1.00 0.00 H new ATOM 0 HB2 HIS A 118 2.127 -10.326 17.594 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.124 -9.629 16.337 1.00 0.00 H new ATOM 0 HD1 HIS A 118 0.697 -7.117 16.320 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.222 -8.468 19.434 1.00 0.00 H new ATOM 0 HE1 HIS A 118 1.661 -5.064 17.484 1.00 0.00 H new ATOM 1823 N CYS A 119 0.358 -12.304 19.045 1.00 0.00 N ATOM 1824 CA CYS A 119 0.525 -13.378 20.046 1.00 0.00 C ATOM 1825 C CYS A 119 1.948 -13.389 20.640 1.00 0.00 C ATOM 1826 O CYS A 119 2.914 -13.036 19.949 1.00 0.00 O ATOM 1827 CB CYS A 119 0.247 -14.752 19.412 1.00 0.00 C ATOM 1828 SG CYS A 119 -1.217 -14.851 18.335 1.00 0.00 S ATOM 0 H CYS A 119 0.217 -12.652 18.097 1.00 0.00 H new ATOM 0 HA CYS A 119 -0.189 -13.181 20.846 1.00 0.00 H new ATOM 0 HB2 CYS A 119 1.121 -15.046 18.831 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.135 -15.484 20.212 1.00 0.00 H new ATOM 0 HG CYS A 119 -1.088 -15.854 17.518 1.00 0.00 H new ATOM 1833 N LEU A 120 2.062 -13.822 21.908 1.00 0.00 N ATOM 1834 CA LEU A 120 3.356 -13.970 22.599 1.00 0.00 C ATOM 1835 C LEU A 120 4.012 -15.317 22.223 1.00 0.00 C ATOM 1836 O LEU A 120 5.234 -15.404 22.064 1.00 0.00 O ATOM 1837 CB LEU A 120 3.148 -13.863 24.138 1.00 0.00 C ATOM 1838 CG LEU A 120 4.440 -13.932 25.015 1.00 0.00 C ATOM 1839 CD1 LEU A 120 5.381 -12.736 24.729 1.00 0.00 C ATOM 1840 CD2 LEU A 120 4.096 -14.030 26.522 1.00 0.00 C ATOM 0 H LEU A 120 1.260 -14.079 22.483 1.00 0.00 H new ATOM 0 HA LEU A 120 4.025 -13.169 22.284 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.639 -12.923 24.350 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.479 -14.665 24.450 1.00 0.00 H new ATOM 0 HG LEU A 120 4.973 -14.842 24.740 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.270 -12.814 25.355 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.675 -12.747 23.679 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.862 -11.804 24.951 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.017 -14.076 27.103 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.521 -13.154 26.822 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.507 -14.929 26.703 1.00 0.00 H new ATOM 1852 N LYS A 121 3.177 -16.369 22.083 1.00 0.00 N ATOM 1853 CA LYS A 121 3.635 -17.731 21.727 1.00 0.00 C ATOM 1854 C LYS A 121 3.325 -18.041 20.241 1.00 0.00 C ATOM 1855 O LYS A 121 4.231 -18.034 19.399 1.00 0.00 O ATOM 1856 CB LYS A 121 2.981 -18.787 22.671 1.00 0.00 C ATOM 1857 CG LYS A 121 3.270 -18.585 24.181 1.00 0.00 C ATOM 1858 CD LYS A 121 4.779 -18.633 24.521 1.00 0.00 C ATOM 1859 CE LYS A 121 5.062 -18.483 26.028 1.00 0.00 C ATOM 1860 NZ LYS A 121 4.540 -19.632 26.818 1.00 0.00 N ATOM 0 H LYS A 121 2.168 -16.299 22.213 1.00 0.00 H new ATOM 0 HA LYS A 121 4.716 -17.781 21.859 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.902 -18.770 22.518 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.329 -19.778 22.379 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.862 -17.625 24.498 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.750 -19.355 24.751 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.195 -19.578 24.171 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.293 -17.839 23.980 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.137 -18.394 26.187 1.00 0.00 H new ATOM 0 HE3 LYS A 121 4.609 -17.560 26.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 4.813 -19.520 27.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.503 -19.662 26.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.939 -20.518 26.447 1.00 0.00 H new ATOM 1874 N CYS A 122 2.030 -18.287 19.927 1.00 0.00 N ATOM 1875 CA CYS A 122 1.578 -18.684 18.570 1.00 0.00 C ATOM 1876 C CYS A 122 1.437 -17.446 17.655 1.00 0.00 C ATOM 1877 O CYS A 122 0.316 -17.019 17.350 1.00 0.00 O ATOM 1878 CB CYS A 122 0.244 -19.482 18.671 1.00 0.00 C ATOM 1879 SG CYS A 122 -1.160 -18.580 19.439 1.00 0.00 S ATOM 0 H CYS A 122 1.271 -18.216 20.605 1.00 0.00 H new ATOM 0 HA CYS A 122 2.328 -19.333 18.118 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -0.051 -19.792 17.668 1.00 0.00 H new ATOM 0 HB3 CYS A 122 0.427 -20.391 19.245 1.00 0.00 H new ATOM 0 HG CYS A 122 -1.157 -17.345 19.032 1.00 0.00 H new ATOM 1884 N ASN A 123 2.594 -16.898 17.214 1.00 0.00 N ATOM 1885 CA ASN A 123 2.709 -15.529 16.636 1.00 0.00 C ATOM 1886 C ASN A 123 1.777 -15.312 15.406 1.00 0.00 C ATOM 1887 O ASN A 123 1.922 -15.979 14.374 1.00 0.00 O ATOM 1888 CB ASN A 123 4.195 -15.221 16.267 1.00 0.00 C ATOM 1889 CG ASN A 123 4.501 -13.726 16.025 1.00 0.00 C ATOM 1890 OD1 ASN A 123 3.638 -12.939 15.623 1.00 0.00 O ATOM 1891 ND2 ASN A 123 5.745 -13.326 16.257 1.00 0.00 N ATOM 0 H ASN A 123 3.484 -17.395 17.248 1.00 0.00 H new ATOM 0 HA ASN A 123 2.377 -14.829 17.403 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.838 -15.585 17.069 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.457 -15.782 15.370 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.004 -12.352 16.104 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.442 -13.993 16.589 1.00 0.00 H new ATOM 1898 N LEU A 124 0.829 -14.364 15.579 1.00 0.00 N ATOM 1899 CA LEU A 124 -0.156 -13.923 14.564 1.00 0.00 C ATOM 1900 C LEU A 124 -0.880 -12.680 15.129 1.00 0.00 C ATOM 1901 O LEU A 124 -0.991 -12.551 16.354 1.00 0.00 O ATOM 1902 CB LEU A 124 -1.175 -15.059 14.232 1.00 0.00 C ATOM 1903 CG LEU A 124 -2.183 -14.781 13.064 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -1.446 -14.498 11.735 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -3.189 -15.951 12.899 1.00 0.00 C ATOM 0 H LEU A 124 0.724 -13.866 16.463 1.00 0.00 H new ATOM 0 HA LEU A 124 0.352 -13.677 13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.612 -15.960 13.989 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.749 -15.275 15.133 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.747 -13.886 13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.176 -14.310 10.947 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.806 -13.624 11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.836 -15.361 11.466 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.875 -15.729 12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -2.646 -16.870 12.677 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.754 -16.078 13.822 1.00 0.00 H new ATOM 1917 N CYS A 125 -1.356 -11.759 14.262 1.00 0.00 N ATOM 1918 CA CYS A 125 -2.031 -10.516 14.719 1.00 0.00 C ATOM 1919 C CYS A 125 -3.557 -10.714 14.721 1.00 0.00 C ATOM 1920 O CYS A 125 -4.168 -10.862 13.653 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.637 -9.295 13.840 1.00 0.00 C ATOM 1922 SG CYS A 125 -1.373 -7.748 14.771 1.00 0.00 S ATOM 0 H CYS A 125 -1.288 -11.848 13.248 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.699 -10.306 15.736 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.725 -9.536 13.293 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.419 -9.129 13.099 1.00 0.00 H new ATOM 0 HG CYS A 125 -1.926 -7.847 15.943 1.00 0.00 H new ATOM 1927 N LEU A 126 -4.163 -10.733 15.926 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.619 -10.938 16.103 1.00 0.00 C ATOM 1929 C LEU A 126 -6.292 -9.672 16.626 1.00 0.00 C ATOM 1930 O LEU A 126 -5.642 -8.682 16.924 1.00 0.00 O ATOM 1931 CB LEU A 126 -5.936 -12.083 17.123 1.00 0.00 C ATOM 1932 CG LEU A 126 -5.188 -13.428 16.958 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -5.101 -13.865 15.485 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -3.812 -13.381 17.634 1.00 0.00 C ATOM 0 H LEU A 126 -3.659 -10.607 16.804 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.002 -11.205 15.118 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.728 -11.706 18.124 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.006 -12.287 17.075 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.773 -14.194 17.468 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.568 -14.813 15.418 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.106 -13.984 15.081 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.567 -13.107 14.912 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.309 -14.339 17.502 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.212 -12.591 17.183 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.936 -13.180 18.698 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.616 -9.760 16.720 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.451 -8.890 17.561 1.00 0.00 C ATOM 1948 C ALA A 127 -8.614 -9.557 18.953 1.00 0.00 C ATOM 1949 O ALA A 127 -8.404 -10.773 19.079 1.00 0.00 O ATOM 1950 CB ALA A 127 -9.815 -8.696 16.880 1.00 0.00 C ATOM 0 H ALA A 127 -8.157 -10.453 16.203 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.987 -7.912 17.690 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.441 -8.052 17.497 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.672 -8.235 15.903 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.301 -9.664 16.756 1.00 0.00 H new ATOM 1956 N MET A 128 -8.996 -8.783 19.992 1.00 0.00 N ATOM 1957 CA MET A 128 -9.294 -9.351 21.342 1.00 0.00 C ATOM 1958 C MET A 128 -10.562 -10.232 21.274 1.00 0.00 C ATOM 1959 O MET A 128 -10.769 -11.130 22.099 1.00 0.00 O ATOM 1960 CB MET A 128 -9.470 -8.240 22.418 1.00 0.00 C ATOM 1961 CG MET A 128 -8.224 -7.385 22.693 1.00 0.00 C ATOM 1962 SD MET A 128 -6.836 -8.348 23.336 1.00 0.00 S ATOM 1963 CE MET A 128 -5.575 -7.085 23.533 1.00 0.00 C ATOM 0 H MET A 128 -9.107 -7.771 19.932 1.00 0.00 H new ATOM 0 HA MET A 128 -8.440 -9.960 21.640 1.00 0.00 H new ATOM 0 HB2 MET A 128 -10.280 -7.581 22.106 1.00 0.00 H new ATOM 0 HB3 MET A 128 -9.782 -8.708 23.352 1.00 0.00 H new ATOM 0 HG2 MET A 128 -7.919 -6.889 21.771 1.00 0.00 H new ATOM 0 HG3 MET A 128 -8.478 -6.602 23.407 1.00 0.00 H new ATOM 0 HE1 MET A 128 -4.664 -7.538 23.923 1.00 0.00 H new ATOM 0 HE2 MET A 128 -5.367 -6.625 22.567 1.00 0.00 H new ATOM 0 HE3 MET A 128 -5.928 -6.324 24.229 1.00 0.00 H new