USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 740 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 53 GLN : amide:sc= -3.72 K(o=-4.4,f=-11!) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.643 K(o=-4.4,f=-3.8) USER MOD Set 1.3: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -153:sc= 0.666 (180deg=0.348) USER MOD Set 2.2: A 75 MET CE :methyl -122:sc= -1.75! (180deg=-5.19!) USER MOD Set 3.1: A 69 SER OG : rot -170:sc= 0 USER MOD Set 3.2: A 73 GLN : amide:sc= -6.85! K(o=-6.8!,f=-2.2) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= -0.238! USER MOD Set 4.2: A 31 GLN : amide:sc= -1.26 K(o=-2.4,f=-1.7) USER MOD Set 4.3: A 33 THR OG1 : rot 110:sc= -0.949 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -117:sc= 0.00366 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.0347 (180deg=-0.619) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.014) USER MOD Single : A 51 HIS : no HD1:sc= -2.08! K(o=-2.1!,f=-0.81) USER MOD Single : A 52 TYR OH : rot 128:sc= -1.06 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 1.16 (180deg=1.05) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 138:sc= 0.984 USER MOD Single : A 79 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.43) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 84 ASN : amide:sc= -1.59 K(o=-1.6,f=0.33) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 25:sc= -0.0247 USER MOD Single : A 95 ASN : amide:sc= -11.3! C(o=-11!,f=-27!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -120:sc= -0.401 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 110 THR OG1 : rot -167:sc= 1.34 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -12.764 -12.421 1.990 1.00 0.00 N ATOM 209 CA VAL A 17 -12.140 -11.173 1.565 1.00 0.00 C ATOM 210 C VAL A 17 -10.636 -11.345 1.385 1.00 0.00 C ATOM 211 O VAL A 17 -10.018 -12.251 1.945 1.00 0.00 O ATOM 212 CB VAL A 17 -12.399 -10.043 2.577 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.682 -9.301 2.234 1.00 0.00 C ATOM 214 CG2 VAL A 17 -12.456 -10.598 3.993 1.00 0.00 C ATOM 0 HA VAL A 17 -12.589 -10.904 0.609 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.573 -9.334 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.848 -8.506 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.597 -8.869 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.522 -9.996 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.640 -9.785 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.261 -11.329 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.508 -11.078 4.234 1.00 0.00 H new ATOM 224 N PRO A 18 -10.031 -10.456 0.586 1.00 0.00 N ATOM 225 CA PRO A 18 -8.590 -10.487 0.314 1.00 0.00 C ATOM 226 C PRO A 18 -7.761 -10.102 1.534 1.00 0.00 C ATOM 227 O PRO A 18 -8.068 -9.129 2.223 1.00 0.00 O ATOM 228 CB PRO A 18 -8.417 -9.450 -0.800 1.00 0.00 C ATOM 229 CG PRO A 18 -9.564 -8.515 -0.629 1.00 0.00 C ATOM 230 CD PRO A 18 -10.705 -9.350 -0.114 1.00 0.00 C ATOM 0 HA PRO A 18 -8.248 -11.486 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.464 -8.928 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.432 -9.919 -1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.316 -7.718 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.824 -8.039 -1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.347 -8.781 0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.335 -9.713 -0.926 1.00 0.00 H new ATOM 238 N SER A 19 -6.709 -10.870 1.796 1.00 0.00 N ATOM 239 CA SER A 19 -5.837 -10.611 2.935 1.00 0.00 C ATOM 240 C SER A 19 -4.979 -9.372 2.693 1.00 0.00 C ATOM 241 O SER A 19 -4.808 -8.936 1.555 1.00 0.00 O ATOM 242 CB SER A 19 -4.941 -11.820 3.205 1.00 0.00 C ATOM 243 OG SER A 19 -4.374 -11.757 4.502 1.00 0.00 O ATOM 0 H SER A 19 -6.440 -11.678 1.234 1.00 0.00 H new ATOM 0 HA SER A 19 -6.466 -10.432 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.522 -12.737 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.147 -11.861 2.459 1.00 0.00 H new ATOM 0 HG SER A 19 -3.807 -12.543 4.650 1.00 0.00 H new ATOM 249 N SER A 20 -4.444 -8.811 3.772 1.00 0.00 N ATOM 250 CA SER A 20 -3.607 -7.620 3.678 1.00 0.00 C ATOM 251 C SER A 20 -2.478 -7.827 2.672 1.00 0.00 C ATOM 252 O SER A 20 -1.884 -8.902 2.580 1.00 0.00 O ATOM 253 CB SER A 20 -3.025 -7.271 5.050 1.00 0.00 C ATOM 254 OG SER A 20 -2.424 -8.403 5.652 1.00 0.00 O ATOM 0 H SER A 20 -4.575 -9.161 4.721 1.00 0.00 H new ATOM 0 HA SER A 20 -4.230 -6.794 3.334 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.286 -6.477 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.814 -6.888 5.696 1.00 0.00 H new ATOM 0 HG SER A 20 -2.058 -8.153 6.526 1.00 0.00 H new ATOM 260 N PRO A 21 -2.175 -6.775 1.900 1.00 0.00 N ATOM 261 CA PRO A 21 -1.116 -6.814 0.887 1.00 0.00 C ATOM 262 C PRO A 21 0.276 -6.885 1.506 1.00 0.00 C ATOM 263 O PRO A 21 0.431 -6.775 2.722 1.00 0.00 O ATOM 264 CB PRO A 21 -1.299 -5.496 0.131 1.00 0.00 C ATOM 265 CG PRO A 21 -1.961 -4.587 1.107 1.00 0.00 C ATOM 266 CD PRO A 21 -2.842 -5.463 1.955 1.00 0.00 C ATOM 0 HA PRO A 21 -1.190 -7.698 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.342 -5.093 -0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.911 -5.633 -0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.224 -4.066 1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.546 -3.824 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.913 -5.091 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.857 -5.512 1.562 1.00 0.00 H new ATOM 274 N TYR A 22 1.285 -7.067 0.662 1.00 0.00 N ATOM 275 CA TYR A 22 2.664 -7.154 1.127 1.00 0.00 C ATOM 276 C TYR A 22 3.620 -6.531 0.115 1.00 0.00 C ATOM 277 O TYR A 22 3.264 -6.317 -1.044 1.00 0.00 O ATOM 278 CB TYR A 22 3.049 -8.614 1.377 1.00 0.00 C ATOM 279 CG TYR A 22 2.806 -9.517 0.190 1.00 0.00 C ATOM 280 CD1 TYR A 22 3.761 -9.657 -0.809 1.00 0.00 C ATOM 281 CD2 TYR A 22 1.620 -10.231 0.066 1.00 0.00 C ATOM 282 CE1 TYR A 22 3.543 -10.480 -1.897 1.00 0.00 C ATOM 283 CE2 TYR A 22 1.393 -11.058 -1.017 1.00 0.00 C ATOM 284 CZ TYR A 22 2.358 -11.179 -1.995 1.00 0.00 C ATOM 285 OH TYR A 22 2.137 -12.001 -3.077 1.00 0.00 O ATOM 0 H TYR A 22 1.174 -7.157 -0.348 1.00 0.00 H new ATOM 0 HA TYR A 22 2.741 -6.599 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.104 -8.661 1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.483 -8.989 2.230 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.691 -9.113 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.862 -10.138 0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.296 -10.575 -2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.466 -11.606 -1.097 1.00 0.00 H new ATOM 0 HH TYR A 22 1.372 -11.667 -3.590 1.00 0.00 H new ATOM 295 N GLY A 23 4.839 -6.243 0.562 1.00 0.00 N ATOM 296 CA GLY A 23 5.829 -5.647 -0.316 1.00 0.00 C ATOM 297 C GLY A 23 5.764 -4.133 -0.322 1.00 0.00 C ATOM 298 O GLY A 23 6.694 -3.466 -0.774 1.00 0.00 O ATOM 0 H GLY A 23 5.158 -6.412 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.824 -5.963 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.680 -6.018 -1.330 1.00 0.00 H new ATOM 302 N VAL A 24 4.660 -3.588 0.180 1.00 0.00 N ATOM 303 CA VAL A 24 4.476 -2.143 0.231 1.00 0.00 C ATOM 304 C VAL A 24 5.768 -1.438 0.629 1.00 0.00 C ATOM 305 O VAL A 24 6.288 -1.643 1.726 1.00 0.00 O ATOM 306 CB VAL A 24 3.364 -1.753 1.223 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.397 -2.659 2.444 1.00 0.00 C ATOM 308 CG2 VAL A 24 3.500 -0.293 1.627 1.00 0.00 C ATOM 0 H VAL A 24 3.880 -4.126 0.557 1.00 0.00 H new ATOM 0 HA VAL A 24 4.186 -1.825 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 24 2.400 -1.881 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.605 -2.369 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.247 -3.693 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.363 -2.565 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.707 -0.034 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.469 -0.135 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.422 0.338 0.742 1.00 0.00 H new ATOM 318 N LYS A 25 6.282 -0.605 -0.269 1.00 0.00 N ATOM 319 CA LYS A 25 7.513 0.134 -0.012 1.00 0.00 C ATOM 320 C LYS A 25 7.556 1.421 -0.830 1.00 0.00 C ATOM 321 O LYS A 25 7.169 1.438 -1.999 1.00 0.00 O ATOM 322 CB LYS A 25 8.730 -0.733 -0.342 1.00 0.00 C ATOM 323 CG LYS A 25 8.648 -1.407 -1.701 1.00 0.00 C ATOM 324 CD LYS A 25 9.257 -0.539 -2.790 1.00 0.00 C ATOM 325 CE LYS A 25 10.740 -0.829 -2.970 1.00 0.00 C ATOM 326 NZ LYS A 25 11.583 0.034 -2.097 1.00 0.00 N ATOM 0 H LYS A 25 5.865 -0.424 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 25 7.536 0.396 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.627 -0.114 -0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.840 -1.498 0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.167 -2.365 -1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.606 -1.617 -1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.734 -0.713 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.119 0.513 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.935 -1.877 -2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.017 -0.672 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.549 0.076 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.181 0.993 -2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.608 -0.364 -1.136 1.00 0.00 H new ATOM 340 N ILE A 26 8.030 2.495 -0.210 1.00 0.00 N ATOM 341 CA ILE A 26 8.126 3.785 -0.882 1.00 0.00 C ATOM 342 C ILE A 26 9.306 3.815 -1.847 1.00 0.00 C ATOM 343 O ILE A 26 10.454 3.613 -1.448 1.00 0.00 O ATOM 344 CB ILE A 26 8.275 4.937 0.129 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.168 4.866 1.183 1.00 0.00 C ATOM 346 CG2 ILE A 26 8.246 6.278 -0.588 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.816 4.493 0.614 1.00 0.00 C ATOM 0 H ILE A 26 8.354 2.498 0.757 1.00 0.00 H new ATOM 0 HA ILE A 26 7.199 3.920 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 26 9.237 4.837 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.447 4.136 1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.090 5.832 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.352 7.082 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.067 6.326 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.298 6.389 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.079 4.461 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.515 5.235 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.878 3.513 0.140 1.00 0.00 H new ATOM 359 N ILE A 27 9.017 4.071 -3.119 1.00 0.00 N ATOM 360 CA ILE A 27 10.055 4.132 -4.140 1.00 0.00 C ATOM 361 C ILE A 27 10.356 5.574 -4.533 1.00 0.00 C ATOM 362 O ILE A 27 11.517 5.966 -4.653 1.00 0.00 O ATOM 363 CB ILE A 27 9.652 3.342 -5.400 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.272 3.788 -5.888 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.660 1.848 -5.113 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.794 3.041 -7.112 1.00 0.00 C ATOM 0 H ILE A 27 8.073 4.239 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 27 10.949 3.682 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 27 10.379 3.545 -6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.549 3.651 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.302 4.854 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.373 1.303 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.660 1.542 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.952 1.627 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.810 3.409 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.496 3.198 -7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.731 1.976 -6.887 1.00 0.00 H new ATOM 378 N GLU A 28 9.302 6.361 -4.732 1.00 0.00 N ATOM 379 CA GLU A 28 9.455 7.760 -5.110 1.00 0.00 C ATOM 380 C GLU A 28 8.861 8.680 -4.046 1.00 0.00 C ATOM 381 O GLU A 28 7.681 9.027 -4.101 1.00 0.00 O ATOM 382 CB GLU A 28 8.784 8.023 -6.460 1.00 0.00 C ATOM 383 CG GLU A 28 9.385 7.224 -7.603 1.00 0.00 C ATOM 384 CD GLU A 28 9.166 7.881 -8.953 1.00 0.00 C ATOM 385 OE1 GLU A 28 9.700 8.990 -9.165 1.00 0.00 O ATOM 386 OE2 GLU A 28 8.461 7.287 -9.795 1.00 0.00 O ATOM 0 H GLU A 28 8.334 6.053 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 28 10.521 7.972 -5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.723 7.787 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.858 9.085 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.454 7.101 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.947 6.226 -7.613 1.00 0.00 H new ATOM 393 N LEU A 29 9.686 9.069 -3.082 1.00 0.00 N ATOM 394 CA LEU A 29 9.243 9.948 -2.004 1.00 0.00 C ATOM 395 C LEU A 29 9.707 11.380 -2.245 1.00 0.00 C ATOM 396 O LEU A 29 10.850 11.615 -2.637 1.00 0.00 O ATOM 397 CB LEU A 29 9.773 9.447 -0.660 1.00 0.00 C ATOM 398 CG LEU A 29 9.709 10.441 0.499 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.277 10.608 0.982 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.609 9.989 1.640 1.00 0.00 C ATOM 0 H LEU A 29 10.665 8.790 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 29 8.153 9.937 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.211 8.556 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.811 9.141 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 29 10.065 11.408 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.252 11.319 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.658 10.978 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.893 9.646 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.551 10.709 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.284 9.011 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.638 9.923 1.287 1.00 0.00 H new ATOM 412 N SER A 30 8.813 12.335 -2.005 1.00 0.00 N ATOM 413 CA SER A 30 9.131 13.745 -2.198 1.00 0.00 C ATOM 414 C SER A 30 8.874 14.539 -0.920 1.00 0.00 C ATOM 415 O SER A 30 8.548 13.969 0.122 1.00 0.00 O ATOM 416 CB SER A 30 8.303 14.324 -3.347 1.00 0.00 C ATOM 417 OG SER A 30 8.417 15.736 -3.396 1.00 0.00 O ATOM 0 H SER A 30 7.864 12.158 -1.677 1.00 0.00 H new ATOM 0 HA SER A 30 10.189 13.823 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.637 13.896 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.257 14.044 -3.223 1.00 0.00 H new ATOM 0 HG SER A 30 7.880 16.082 -4.139 1.00 0.00 H new ATOM 423 N GLN A 31 9.022 15.857 -1.010 1.00 0.00 N ATOM 424 CA GLN A 31 8.806 16.729 0.139 1.00 0.00 C ATOM 425 C GLN A 31 7.318 16.919 0.406 1.00 0.00 C ATOM 426 O GLN A 31 6.887 16.999 1.557 1.00 0.00 O ATOM 427 CB GLN A 31 9.474 18.086 -0.093 1.00 0.00 C ATOM 428 CG GLN A 31 9.531 18.494 -1.556 1.00 0.00 C ATOM 429 CD GLN A 31 10.806 18.039 -2.239 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.768 17.448 -3.318 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.944 18.314 -1.612 1.00 0.00 N ATOM 0 H GLN A 31 9.290 16.344 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 31 9.254 16.256 1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.933 18.848 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.488 18.056 0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.673 18.074 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.450 19.578 -1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.928 18.806 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.834 18.033 -2.024 1.00 0.00 H new ATOM 440 N THR A 32 6.534 16.993 -0.665 1.00 0.00 N ATOM 441 CA THR A 32 5.093 17.177 -0.547 1.00 0.00 C ATOM 442 C THR A 32 4.340 15.949 -1.045 1.00 0.00 C ATOM 443 O THR A 32 3.219 15.677 -0.613 1.00 0.00 O ATOM 444 CB THR A 32 4.616 18.411 -1.337 1.00 0.00 C ATOM 445 OG1 THR A 32 5.036 18.311 -2.703 1.00 0.00 O ATOM 446 CG2 THR A 32 5.169 19.691 -0.726 1.00 0.00 C ATOM 0 H THR A 32 6.873 16.928 -1.625 1.00 0.00 H new ATOM 0 HA THR A 32 4.880 17.328 0.511 1.00 0.00 H new ATOM 0 HB THR A 32 3.527 18.445 -1.293 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.727 19.098 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.819 20.549 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.826 19.780 0.305 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.258 19.662 -0.745 1.00 0.00 H new ATOM 454 N THR A 33 4.962 15.207 -1.956 1.00 0.00 N ATOM 455 CA THR A 33 4.350 14.007 -2.513 1.00 0.00 C ATOM 456 C THR A 33 5.091 12.753 -2.061 1.00 0.00 C ATOM 457 O THR A 33 6.240 12.821 -1.629 1.00 0.00 O ATOM 458 CB THR A 33 4.328 14.051 -4.052 1.00 0.00 C ATOM 459 OG1 THR A 33 5.544 14.624 -4.545 1.00 0.00 O ATOM 460 CG2 THR A 33 3.141 14.860 -4.553 1.00 0.00 C ATOM 0 H THR A 33 5.890 15.416 -2.324 1.00 0.00 H new ATOM 0 HA THR A 33 3.325 13.973 -2.144 1.00 0.00 H new ATOM 0 HB THR A 33 4.234 13.029 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.080 13.929 -4.980 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.146 14.877 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.215 14.404 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.210 15.880 -4.174 1.00 0.00 H new ATOM 468 N ALA A 34 4.423 11.608 -2.166 1.00 0.00 N ATOM 469 CA ALA A 34 5.019 10.338 -1.772 1.00 0.00 C ATOM 470 C ALA A 34 4.334 9.169 -2.471 1.00 0.00 C ATOM 471 O ALA A 34 3.134 8.953 -2.311 1.00 0.00 O ATOM 472 CB ALA A 34 4.946 10.168 -0.261 1.00 0.00 C ATOM 0 H ALA A 34 3.469 11.535 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 34 6.066 10.346 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.395 9.215 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.487 10.981 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.904 10.186 0.057 1.00 0.00 H new ATOM 478 N LYS A 35 5.106 8.418 -3.250 1.00 0.00 N ATOM 479 CA LYS A 35 4.575 7.270 -3.976 1.00 0.00 C ATOM 480 C LYS A 35 4.712 5.995 -3.150 1.00 0.00 C ATOM 481 O LYS A 35 5.659 5.841 -2.378 1.00 0.00 O ATOM 482 CB LYS A 35 5.302 7.105 -5.312 1.00 0.00 C ATOM 483 CG LYS A 35 4.678 6.058 -6.218 1.00 0.00 C ATOM 484 CD LYS A 35 5.318 6.060 -7.596 1.00 0.00 C ATOM 485 CE LYS A 35 4.694 7.114 -8.499 1.00 0.00 C ATOM 486 NZ LYS A 35 5.537 7.390 -9.695 1.00 0.00 N ATOM 0 H LYS A 35 6.102 8.584 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 35 3.516 7.448 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.312 8.063 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.341 6.835 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.788 5.072 -5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.609 6.248 -6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.388 6.247 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.206 5.076 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.707 6.779 -8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.550 8.036 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.363 8.360 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.541 7.285 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.297 6.718 -10.452 1.00 0.00 H new ATOM 500 N VAL A 36 3.761 5.081 -3.318 1.00 0.00 N ATOM 501 CA VAL A 36 3.775 3.818 -2.592 1.00 0.00 C ATOM 502 C VAL A 36 3.510 2.643 -3.527 1.00 0.00 C ATOM 503 O VAL A 36 2.483 2.594 -4.203 1.00 0.00 O ATOM 504 CB VAL A 36 2.729 3.808 -1.462 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.389 4.318 -1.970 1.00 0.00 C ATOM 506 CG2 VAL A 36 2.590 2.410 -0.878 1.00 0.00 C ATOM 0 H VAL A 36 2.970 5.193 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 36 4.769 3.714 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 36 3.068 4.476 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.663 4.304 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.503 5.338 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.040 3.678 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.847 2.421 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.274 1.719 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.550 2.087 -0.475 1.00 0.00 H new ATOM 516 N SER A 37 4.443 1.696 -3.557 1.00 0.00 N ATOM 517 CA SER A 37 4.311 0.521 -4.411 1.00 0.00 C ATOM 518 C SER A 37 4.197 -0.749 -3.573 1.00 0.00 C ATOM 519 O SER A 37 5.025 -1.007 -2.700 1.00 0.00 O ATOM 520 CB SER A 37 5.509 0.416 -5.357 1.00 0.00 C ATOM 521 OG SER A 37 5.464 -0.787 -6.105 1.00 0.00 O ATOM 0 H SER A 37 5.297 1.720 -3.000 1.00 0.00 H new ATOM 0 HA SER A 37 3.400 0.630 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.517 1.269 -6.035 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.435 0.457 -4.783 1.00 0.00 H new ATOM 0 HG SER A 37 6.239 -0.830 -6.703 1.00 0.00 H new ATOM 527 N PHE A 38 3.164 -1.539 -3.847 1.00 0.00 N ATOM 528 CA PHE A 38 2.938 -2.782 -3.119 1.00 0.00 C ATOM 529 C PHE A 38 2.535 -3.905 -4.071 1.00 0.00 C ATOM 530 O PHE A 38 2.327 -3.677 -5.262 1.00 0.00 O ATOM 531 CB PHE A 38 1.856 -2.587 -2.056 1.00 0.00 C ATOM 532 CG PHE A 38 0.615 -1.921 -2.579 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.570 -0.547 -2.751 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.506 -2.670 -2.898 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.569 0.069 -3.233 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.649 -2.059 -3.380 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.681 -0.688 -3.547 1.00 0.00 C ATOM 0 H PHE A 38 2.470 -1.340 -4.568 1.00 0.00 H new ATOM 0 HA PHE A 38 3.871 -3.061 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.589 -3.558 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.263 -1.990 -1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.436 0.050 -2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.487 -3.742 -2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.590 1.141 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.517 -2.653 -3.626 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.573 -0.209 -3.922 1.00 0.00 H new ATOM 547 N ASN A 39 2.428 -5.116 -3.537 1.00 0.00 N ATOM 548 CA ASN A 39 2.050 -6.275 -4.338 1.00 0.00 C ATOM 549 C ASN A 39 0.734 -6.871 -3.847 1.00 0.00 C ATOM 550 O ASN A 39 0.417 -6.811 -2.659 1.00 0.00 O ATOM 551 CB ASN A 39 3.153 -7.335 -4.289 1.00 0.00 C ATOM 552 CG ASN A 39 4.459 -6.839 -4.877 1.00 0.00 C ATOM 553 OD1 ASN A 39 4.493 -6.323 -5.994 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.542 -6.993 -4.123 1.00 0.00 N ATOM 0 H ASN A 39 2.598 -5.321 -2.552 1.00 0.00 H new ATOM 0 HA ASN A 39 1.916 -5.946 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.316 -7.638 -3.255 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.826 -8.221 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.450 -6.678 -4.464 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.465 -7.427 -3.203 1.00 0.00 H new ATOM 561 N LYS A 40 -0.029 -7.446 -4.770 1.00 0.00 N ATOM 562 CA LYS A 40 -1.310 -8.054 -4.434 1.00 0.00 C ATOM 563 C LYS A 40 -1.130 -9.171 -3.412 1.00 0.00 C ATOM 564 O LYS A 40 -0.086 -9.821 -3.343 1.00 0.00 O ATOM 565 CB LYS A 40 -1.983 -8.604 -5.694 1.00 0.00 C ATOM 566 CG LYS A 40 -2.083 -7.593 -6.821 1.00 0.00 C ATOM 567 CD LYS A 40 -3.294 -7.855 -7.702 1.00 0.00 C ATOM 568 CE LYS A 40 -3.098 -9.091 -8.565 1.00 0.00 C ATOM 569 NZ LYS A 40 -4.058 -9.131 -9.702 1.00 0.00 N ATOM 0 H LYS A 40 0.218 -7.504 -5.758 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.946 -7.284 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.424 -9.472 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.984 -8.951 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.146 -6.588 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.177 -7.631 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.179 -7.982 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.475 -6.990 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.078 -9.107 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.222 -9.985 -7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.892 -9.989 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.031 -9.141 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.923 -8.291 -10.300 1.00 0.00 H new ATOM 583 N PRO A 41 -2.171 -9.404 -2.598 1.00 0.00 N ATOM 584 CA PRO A 41 -2.152 -10.445 -1.566 1.00 0.00 C ATOM 585 C PRO A 41 -2.176 -11.849 -2.158 1.00 0.00 C ATOM 586 O PRO A 41 -2.533 -12.036 -3.322 1.00 0.00 O ATOM 587 CB PRO A 41 -3.432 -10.178 -0.769 1.00 0.00 C ATOM 588 CG PRO A 41 -4.337 -9.485 -1.728 1.00 0.00 C ATOM 589 CD PRO A 41 -3.446 -8.668 -2.623 1.00 0.00 C ATOM 0 HA PRO A 41 -1.243 -10.406 -0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.874 -11.106 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.232 -9.558 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.917 -10.204 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.050 -8.850 -1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.849 -8.596 -3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.329 -7.649 -2.253 1.00 0.00 H new ATOM 652 N VAL A 47 -13.325 -13.995 -4.708 1.00 0.00 N ATOM 653 CA VAL A 47 -13.458 -13.069 -5.826 1.00 0.00 C ATOM 654 C VAL A 47 -12.185 -12.253 -6.019 1.00 0.00 C ATOM 655 O VAL A 47 -11.435 -11.994 -5.078 1.00 0.00 O ATOM 656 CB VAL A 47 -14.644 -12.109 -5.621 1.00 0.00 C ATOM 657 CG1 VAL A 47 -15.964 -12.854 -5.747 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.541 -11.417 -4.270 1.00 0.00 C ATOM 0 HA VAL A 47 -13.638 -13.672 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.609 -11.346 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.790 -12.158 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.038 -13.299 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.012 -13.640 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.387 -10.742 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.549 -12.165 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.613 -10.848 -4.223 1.00 0.00 H new ATOM 668 N PRO A 48 -11.933 -11.837 -7.269 1.00 0.00 N ATOM 669 CA PRO A 48 -10.751 -11.042 -7.616 1.00 0.00 C ATOM 670 C PRO A 48 -10.819 -9.627 -7.052 1.00 0.00 C ATOM 671 O PRO A 48 -11.900 -9.055 -6.914 1.00 0.00 O ATOM 672 CB PRO A 48 -10.780 -11.011 -9.145 1.00 0.00 C ATOM 673 CG PRO A 48 -12.213 -11.208 -9.500 1.00 0.00 C ATOM 674 CD PRO A 48 -12.783 -12.109 -8.440 1.00 0.00 C ATOM 0 HA PRO A 48 -9.837 -11.469 -7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.404 -10.063 -9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.155 -11.797 -9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.742 -10.256 -9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.312 -11.657 -10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.830 -11.881 -8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.737 -13.157 -8.736 1.00 0.00 H new ATOM 682 N ILE A 49 -9.657 -9.067 -6.730 1.00 0.00 N ATOM 683 CA ILE A 49 -9.585 -7.718 -6.183 1.00 0.00 C ATOM 684 C ILE A 49 -10.015 -6.683 -7.217 1.00 0.00 C ATOM 685 O ILE A 49 -9.628 -6.756 -8.383 1.00 0.00 O ATOM 686 CB ILE A 49 -8.163 -7.382 -5.698 1.00 0.00 C ATOM 687 CG1 ILE A 49 -7.746 -8.333 -4.573 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.090 -5.936 -5.231 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.249 -8.504 -4.451 1.00 0.00 C ATOM 0 H ILE A 49 -8.753 -9.527 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.267 -7.685 -5.333 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.472 -7.509 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.139 -7.959 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.202 -9.308 -4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.078 -5.714 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.349 -5.273 -6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.790 -5.783 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.027 -9.191 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.852 -8.907 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.788 -7.537 -4.248 1.00 0.00 H new ATOM 701 N HIS A 50 -10.817 -5.717 -6.781 1.00 0.00 N ATOM 702 CA HIS A 50 -11.299 -4.664 -7.668 1.00 0.00 C ATOM 703 C HIS A 50 -10.404 -3.431 -7.582 1.00 0.00 C ATOM 704 O HIS A 50 -10.037 -2.846 -8.602 1.00 0.00 O ATOM 705 CB HIS A 50 -12.739 -4.290 -7.316 1.00 0.00 C ATOM 706 CG HIS A 50 -13.467 -3.600 -8.428 1.00 0.00 C ATOM 707 ND1 HIS A 50 -14.708 -4.001 -8.877 1.00 0.00 N ATOM 708 CD2 HIS A 50 -13.124 -2.529 -9.181 1.00 0.00 C ATOM 709 CE1 HIS A 50 -15.095 -3.207 -9.859 1.00 0.00 C ATOM 710 NE2 HIS A 50 -14.152 -2.305 -10.063 1.00 0.00 N ATOM 0 H HIS A 50 -11.147 -5.641 -5.819 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.270 -5.042 -8.690 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.284 -5.193 -7.042 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.734 -3.642 -6.439 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.211 -1.957 -9.103 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.025 -3.283 -10.403 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.183 -1.563 -10.762 1.00 0.00 H new ATOM 719 N HIS A 51 -10.060 -3.040 -6.359 1.00 0.00 N ATOM 720 CA HIS A 51 -9.209 -1.875 -6.141 1.00 0.00 C ATOM 721 C HIS A 51 -8.512 -1.958 -4.786 1.00 0.00 C ATOM 722 O HIS A 51 -8.627 -2.958 -4.078 1.00 0.00 O ATOM 723 CB HIS A 51 -10.035 -0.591 -6.225 1.00 0.00 C ATOM 724 CG HIS A 51 -10.915 -0.365 -5.035 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.193 -0.874 -4.936 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.694 0.318 -3.887 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.721 -0.513 -3.780 1.00 0.00 C ATOM 728 NE2 HIS A 51 -11.832 0.211 -3.124 1.00 0.00 N ATOM 0 H HIS A 51 -10.357 -3.512 -5.505 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.448 -1.860 -6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.361 0.258 -6.334 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.653 -0.625 -7.122 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.792 0.848 -3.621 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.711 -0.767 -3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.968 0.624 -2.201 1.00 0.00 H new ATOM 737 N TYR A 52 -7.789 -0.902 -4.433 1.00 0.00 N ATOM 738 CA TYR A 52 -7.071 -0.856 -3.165 1.00 0.00 C ATOM 739 C TYR A 52 -7.385 0.430 -2.406 1.00 0.00 C ATOM 740 O TYR A 52 -7.595 1.483 -3.008 1.00 0.00 O ATOM 741 CB TYR A 52 -5.565 -0.965 -3.403 1.00 0.00 C ATOM 742 CG TYR A 52 -5.117 -2.347 -3.825 1.00 0.00 C ATOM 743 CD1 TYR A 52 -4.820 -3.320 -2.879 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.990 -2.677 -5.168 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.409 -4.583 -3.259 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.582 -3.939 -5.558 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.292 -4.888 -4.599 1.00 0.00 C ATOM 748 OH TYR A 52 -3.885 -6.145 -4.983 1.00 0.00 O ATOM 0 H TYR A 52 -7.684 -0.066 -5.007 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.399 -1.702 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.274 -0.248 -4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.040 -0.685 -2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.912 -3.085 -1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.214 -1.935 -5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.181 -5.328 -2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.491 -4.181 -6.607 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.523 -6.512 -5.630 1.00 0.00 H new ATOM 758 N GLN A 53 -7.416 0.335 -1.080 1.00 0.00 N ATOM 759 CA GLN A 53 -7.705 1.490 -0.239 1.00 0.00 C ATOM 760 C GLN A 53 -6.459 1.935 0.521 1.00 0.00 C ATOM 761 O GLN A 53 -5.792 1.125 1.165 1.00 0.00 O ATOM 762 CB GLN A 53 -8.829 1.163 0.746 1.00 0.00 C ATOM 763 CG GLN A 53 -9.653 2.373 1.153 1.00 0.00 C ATOM 764 CD GLN A 53 -9.093 3.078 2.372 1.00 0.00 C ATOM 765 OE1 GLN A 53 -7.953 3.543 2.366 1.00 0.00 O ATOM 766 NE2 GLN A 53 -9.895 3.162 3.427 1.00 0.00 N ATOM 0 H GLN A 53 -7.245 -0.529 -0.566 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.025 2.307 -0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.488 0.419 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.398 0.711 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.696 3.075 0.320 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.676 2.058 1.358 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.833 2.762 3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.573 3.626 4.276 1.00 0.00 H new ATOM 775 N VAL A 54 -6.153 3.226 0.442 1.00 0.00 N ATOM 776 CA VAL A 54 -4.988 3.778 1.123 1.00 0.00 C ATOM 777 C VAL A 54 -5.386 4.913 2.059 1.00 0.00 C ATOM 778 O VAL A 54 -6.127 5.818 1.675 1.00 0.00 O ATOM 779 CB VAL A 54 -3.944 4.298 0.118 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.736 4.867 0.848 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.527 3.190 -0.837 1.00 0.00 C ATOM 0 H VAL A 54 -6.696 3.909 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.548 2.968 1.705 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.395 5.100 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.009 5.229 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.052 5.691 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.280 4.088 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.789 3.575 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.094 2.366 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.400 2.834 -1.385 1.00 0.00 H new ATOM 791 N ASP A 55 -4.889 4.860 3.291 1.00 0.00 N ATOM 792 CA ASP A 55 -5.191 5.886 4.282 1.00 0.00 C ATOM 793 C ASP A 55 -3.910 6.448 4.890 1.00 0.00 C ATOM 794 O ASP A 55 -3.155 5.731 5.546 1.00 0.00 O ATOM 795 CB ASP A 55 -6.084 5.313 5.384 1.00 0.00 C ATOM 796 CG ASP A 55 -6.957 6.370 6.030 1.00 0.00 C ATOM 797 OD1 ASP A 55 -6.816 7.558 5.668 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.781 6.011 6.897 1.00 0.00 O ATOM 0 H ASP A 55 -4.275 4.117 3.626 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.720 6.696 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.716 4.530 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.461 4.845 6.146 1.00 0.00 H new ATOM 803 N VAL A 56 -3.670 7.737 4.667 1.00 0.00 N ATOM 804 CA VAL A 56 -2.481 8.396 5.192 1.00 0.00 C ATOM 805 C VAL A 56 -2.854 9.566 6.095 1.00 0.00 C ATOM 806 O VAL A 56 -3.843 10.259 5.855 1.00 0.00 O ATOM 807 CB VAL A 56 -1.575 8.907 4.056 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.237 10.065 3.325 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.216 9.318 4.604 1.00 0.00 C ATOM 0 H VAL A 56 -4.284 8.345 4.126 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.937 7.651 5.774 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.424 8.097 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.582 10.413 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.184 9.733 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.420 10.880 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.412 9.677 3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.345 10.113 5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.260 8.460 5.078 1.00 0.00 H new ATOM 819 N LYS A 57 -2.056 9.781 7.136 1.00 0.00 N ATOM 820 CA LYS A 57 -2.301 10.868 8.075 1.00 0.00 C ATOM 821 C LYS A 57 -1.082 11.106 8.961 1.00 0.00 C ATOM 822 O LYS A 57 -0.250 10.217 9.139 1.00 0.00 O ATOM 823 CB LYS A 57 -3.522 10.555 8.943 1.00 0.00 C ATOM 824 CG LYS A 57 -3.538 11.306 10.264 1.00 0.00 C ATOM 825 CD LYS A 57 -4.660 10.821 11.166 1.00 0.00 C ATOM 826 CE LYS A 57 -4.219 9.642 12.020 1.00 0.00 C ATOM 827 NZ LYS A 57 -3.091 10.003 12.924 1.00 0.00 N ATOM 0 H LYS A 57 -1.234 9.216 7.350 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.494 11.774 7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.426 10.799 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.550 9.484 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.581 11.176 10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.656 12.373 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.988 11.636 11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.517 10.531 10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.062 9.289 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.917 8.818 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.909 9.219 13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.238 10.186 12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.338 10.857 13.463 1.00 0.00 H new ATOM 841 N GLU A 58 -0.984 12.310 9.516 1.00 0.00 N ATOM 842 CA GLU A 58 0.133 12.663 10.383 1.00 0.00 C ATOM 843 C GLU A 58 0.058 11.902 11.704 1.00 0.00 C ATOM 844 O GLU A 58 -1.015 11.758 12.289 1.00 0.00 O ATOM 845 CB GLU A 58 0.145 14.170 10.649 1.00 0.00 C ATOM 846 CG GLU A 58 0.958 14.961 9.638 1.00 0.00 C ATOM 847 CD GLU A 58 0.794 16.459 9.802 1.00 0.00 C ATOM 848 OE1 GLU A 58 0.514 16.904 10.936 1.00 0.00 O ATOM 849 OE2 GLU A 58 0.944 17.187 8.799 1.00 0.00 O ATOM 0 H GLU A 58 -1.665 13.057 9.380 1.00 0.00 H new ATOM 0 HA GLU A 58 1.056 12.384 9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.881 14.539 10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.546 14.351 11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.012 14.701 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.656 14.674 8.631 1.00 0.00 H new ATOM 856 N VAL A 59 1.206 11.418 12.167 1.00 0.00 N ATOM 857 CA VAL A 59 1.271 10.672 13.418 1.00 0.00 C ATOM 858 C VAL A 59 0.797 11.524 14.591 1.00 0.00 C ATOM 859 O VAL A 59 0.557 11.013 15.685 1.00 0.00 O ATOM 860 CB VAL A 59 2.701 10.177 13.702 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.691 11.330 13.626 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.769 9.494 15.061 1.00 0.00 C ATOM 0 H VAL A 59 2.103 11.529 11.695 1.00 0.00 H new ATOM 0 HA VAL A 59 0.612 9.811 13.308 1.00 0.00 H new ATOM 0 HB VAL A 59 2.971 9.446 12.940 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.696 10.961 13.830 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.661 11.770 12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.426 12.086 14.365 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.787 9.150 15.245 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.478 10.201 15.838 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.090 8.641 15.074 1.00 0.00 H new ATOM 872 N ALA A 60 0.664 12.825 14.355 1.00 0.00 N ATOM 873 CA ALA A 60 0.217 13.747 15.390 1.00 0.00 C ATOM 874 C ALA A 60 -1.239 14.145 15.180 1.00 0.00 C ATOM 875 O ALA A 60 -1.972 14.387 16.139 1.00 0.00 O ATOM 876 CB ALA A 60 1.105 14.982 15.417 1.00 0.00 C ATOM 0 H ALA A 60 0.860 13.264 13.455 1.00 0.00 H new ATOM 0 HA ALA A 60 0.292 13.238 16.351 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.759 15.662 16.195 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.133 14.686 15.625 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.060 15.484 14.450 1.00 0.00 H new ATOM 882 N SER A 61 -1.654 14.210 13.918 1.00 0.00 N ATOM 883 CA SER A 61 -3.023 14.582 13.581 1.00 0.00 C ATOM 884 C SER A 61 -3.984 13.431 13.863 1.00 0.00 C ATOM 885 O SER A 61 -3.561 12.308 14.136 1.00 0.00 O ATOM 886 CB SER A 61 -3.115 14.990 12.110 1.00 0.00 C ATOM 887 OG SER A 61 -4.248 15.809 11.878 1.00 0.00 O ATOM 0 H SER A 61 -1.061 14.010 13.112 1.00 0.00 H new ATOM 0 HA SER A 61 -3.307 15.430 14.204 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.210 15.525 11.820 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.172 14.099 11.485 1.00 0.00 H new ATOM 0 HG SER A 61 -4.283 16.058 10.931 1.00 0.00 H new ATOM 893 N GLU A 62 -5.280 13.720 13.795 1.00 0.00 N ATOM 894 CA GLU A 62 -6.301 12.710 14.043 1.00 0.00 C ATOM 895 C GLU A 62 -7.247 12.587 12.852 1.00 0.00 C ATOM 896 O GLU A 62 -8.329 12.011 12.962 1.00 0.00 O ATOM 897 CB GLU A 62 -7.095 13.054 15.305 1.00 0.00 C ATOM 898 CG GLU A 62 -7.780 11.856 15.939 1.00 0.00 C ATOM 899 CD GLU A 62 -7.958 12.012 17.437 1.00 0.00 C ATOM 900 OE1 GLU A 62 -8.880 12.742 17.854 1.00 0.00 O ATOM 901 OE2 GLU A 62 -7.174 11.400 18.193 1.00 0.00 O ATOM 0 H GLU A 62 -5.647 14.645 13.570 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.800 11.753 14.187 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.423 13.506 16.035 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.847 13.803 15.058 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.755 11.711 15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.195 10.959 15.738 1.00 0.00 H new ATOM 908 N ILE A 63 -6.832 13.136 11.715 1.00 0.00 N ATOM 909 CA ILE A 63 -7.641 13.088 10.503 1.00 0.00 C ATOM 910 C ILE A 63 -7.043 12.128 9.481 1.00 0.00 C ATOM 911 O ILE A 63 -5.914 12.313 9.027 1.00 0.00 O ATOM 912 CB ILE A 63 -7.777 14.483 9.864 1.00 0.00 C ATOM 913 CG1 ILE A 63 -8.431 15.457 10.846 1.00 0.00 C ATOM 914 CG2 ILE A 63 -8.586 14.397 8.577 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.249 16.910 10.467 1.00 0.00 C ATOM 0 H ILE A 63 -5.940 13.619 11.608 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.629 12.733 10.795 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.781 14.855 9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.497 15.237 10.908 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.013 15.294 11.840 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.674 15.390 8.136 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.083 13.731 7.875 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.580 14.008 8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.738 17.543 11.207 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.186 17.147 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.692 17.089 9.487 1.00 0.00 H new ATOM 927 N TRP A 64 -7.808 11.104 9.123 1.00 0.00 N ATOM 928 CA TRP A 64 -7.355 10.114 8.151 1.00 0.00 C ATOM 929 C TRP A 64 -7.843 10.464 6.750 1.00 0.00 C ATOM 930 O TRP A 64 -9.035 10.685 6.534 1.00 0.00 O ATOM 931 CB TRP A 64 -7.847 8.721 8.543 1.00 0.00 C ATOM 932 CG TRP A 64 -7.081 8.119 9.682 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.390 8.194 11.010 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.876 7.350 9.592 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.451 7.519 11.751 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.512 6.992 10.905 1.00 0.00 C ATOM 937 CE3 TRP A 64 -5.070 6.928 8.531 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.377 6.234 11.181 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.945 6.176 8.807 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.607 5.835 10.123 1.00 0.00 C ATOM 0 H TRP A 64 -8.745 10.937 9.490 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.265 10.118 8.147 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.901 8.779 8.814 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.776 8.062 7.678 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.247 8.709 11.418 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.453 7.425 12.767 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.323 7.186 7.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.114 5.970 12.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.315 5.845 7.994 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.721 5.245 10.306 1.00 0.00 H new ATOM 951 N LYS A 65 -6.915 10.513 5.800 1.00 0.00 N ATOM 952 CA LYS A 65 -7.251 10.835 4.418 1.00 0.00 C ATOM 953 C LYS A 65 -7.265 9.577 3.554 1.00 0.00 C ATOM 954 O LYS A 65 -6.312 8.797 3.563 1.00 0.00 O ATOM 955 CB LYS A 65 -6.252 11.845 3.849 1.00 0.00 C ATOM 956 CG LYS A 65 -6.618 13.291 4.137 1.00 0.00 C ATOM 957 CD LYS A 65 -6.112 14.221 3.048 1.00 0.00 C ATOM 958 CE LYS A 65 -6.995 15.454 2.915 1.00 0.00 C ATOM 959 NZ LYS A 65 -8.131 15.224 1.980 1.00 0.00 N ATOM 0 H LYS A 65 -5.924 10.334 5.962 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.248 11.274 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.265 11.640 4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.181 11.705 2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.701 13.383 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.197 13.590 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.090 14.526 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.083 13.688 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.382 15.731 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.396 16.293 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.709 16.087 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.762 14.984 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.717 14.440 2.332 1.00 0.00 H new ATOM 973 N ILE A 66 -8.349 9.388 2.810 1.00 0.00 N ATOM 974 CA ILE A 66 -8.484 8.227 1.940 1.00 0.00 C ATOM 975 C ILE A 66 -8.200 8.592 0.487 1.00 0.00 C ATOM 976 O ILE A 66 -8.652 9.627 -0.004 1.00 0.00 O ATOM 977 CB ILE A 66 -9.893 7.612 2.036 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.232 7.284 3.492 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.987 6.364 1.171 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.242 6.346 4.146 1.00 0.00 C ATOM 0 H ILE A 66 -9.146 10.024 2.792 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.752 7.494 2.278 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.616 8.340 1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.275 8.211 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.225 6.837 3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.989 5.941 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.784 6.625 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.256 5.630 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.545 6.158 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.216 5.404 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.251 6.799 4.136 1.00 0.00 H new ATOM 992 N VAL A 67 -7.449 7.735 -0.197 1.00 0.00 N ATOM 993 CA VAL A 67 -7.106 7.966 -1.596 1.00 0.00 C ATOM 994 C VAL A 67 -7.196 6.676 -2.403 1.00 0.00 C ATOM 995 O VAL A 67 -6.351 5.789 -2.272 1.00 0.00 O ATOM 996 CB VAL A 67 -5.688 8.550 -1.737 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.335 8.742 -3.203 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.575 9.863 -0.975 1.00 0.00 C ATOM 0 H VAL A 67 -7.066 6.874 0.194 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.827 8.685 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.977 7.845 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.330 9.155 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.375 7.781 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.047 9.428 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.567 10.262 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.294 10.578 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.783 9.690 0.081 1.00 0.00 H new ATOM 1008 N ARG A 68 -8.225 6.577 -3.238 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.425 5.395 -4.068 1.00 0.00 C ATOM 1010 C ARG A 68 -7.640 5.506 -5.372 1.00 0.00 C ATOM 1011 O ARG A 68 -7.364 6.605 -5.850 1.00 0.00 O ATOM 1012 CB ARG A 68 -9.913 5.204 -4.371 1.00 0.00 C ATOM 1013 CG ARG A 68 -10.666 4.460 -3.281 1.00 0.00 C ATOM 1014 CD ARG A 68 -12.138 4.840 -3.261 1.00 0.00 C ATOM 1015 NE ARG A 68 -12.896 4.147 -4.299 1.00 0.00 N ATOM 1016 CZ ARG A 68 -14.217 4.230 -4.423 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -14.920 4.972 -3.580 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -14.836 3.569 -5.393 1.00 0.00 N ATOM 0 H ARG A 68 -8.933 7.301 -3.358 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.059 4.529 -3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.374 6.181 -4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.017 4.659 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.569 3.386 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.219 4.682 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.560 4.603 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.236 5.917 -3.398 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.384 3.568 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.448 5.482 -2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.933 5.034 -3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.298 2.997 -6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.850 3.633 -5.488 1.00 0.00 H new ATOM 1032 N SER A 69 -7.282 4.359 -5.940 1.00 0.00 N ATOM 1033 CA SER A 69 -6.524 4.326 -7.186 1.00 0.00 C ATOM 1034 C SER A 69 -7.446 4.073 -8.375 1.00 0.00 C ATOM 1035 O SER A 69 -8.531 3.512 -8.226 1.00 0.00 O ATOM 1036 CB SER A 69 -5.446 3.243 -7.123 1.00 0.00 C ATOM 1037 OG SER A 69 -5.981 1.970 -7.441 1.00 0.00 O ATOM 0 H SER A 69 -7.505 3.440 -5.557 1.00 0.00 H new ATOM 0 HA SER A 69 -6.046 5.297 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.641 3.486 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.009 3.218 -6.125 1.00 0.00 H new ATOM 0 HG SER A 69 -5.317 1.277 -7.242 1.00 0.00 H new ATOM 1043 N HIS A 70 -7.005 4.494 -9.557 1.00 0.00 N ATOM 1044 CA HIS A 70 -7.788 4.314 -10.774 1.00 0.00 C ATOM 1045 C HIS A 70 -7.480 2.968 -11.424 1.00 0.00 C ATOM 1046 O HIS A 70 -6.702 2.889 -12.373 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.505 5.446 -11.760 1.00 0.00 C ATOM 1048 CG HIS A 70 -7.427 6.796 -11.116 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -8.535 7.579 -10.872 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -6.363 7.501 -10.664 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -8.157 8.707 -10.298 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -6.844 8.685 -10.160 1.00 0.00 N ATOM 0 H HIS A 70 -6.110 4.962 -9.697 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.844 4.334 -10.503 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.565 5.243 -12.274 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.287 5.459 -12.519 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.329 7.190 -10.694 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.811 9.511 -9.993 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.279 9.427 -9.746 1.00 0.00 H new ATOM 1061 N GLY A 71 -8.097 1.911 -10.905 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.875 0.583 -11.446 1.00 0.00 C ATOM 1063 C GLY A 71 -7.303 -0.375 -10.420 1.00 0.00 C ATOM 1064 O GLY A 71 -7.213 -0.046 -9.236 1.00 0.00 O ATOM 0 H GLY A 71 -8.747 1.951 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.817 0.186 -11.823 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.195 0.649 -12.295 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.915 -1.563 -10.872 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.350 -2.572 -9.983 1.00 0.00 C ATOM 1070 C VAL A 72 -4.841 -2.399 -9.847 1.00 0.00 C ATOM 1071 O VAL A 72 -4.107 -3.374 -9.689 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.649 -3.996 -10.489 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.148 -4.243 -10.532 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -6.024 -4.216 -11.859 1.00 0.00 C ATOM 0 H VAL A 72 -6.981 -1.851 -11.848 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.819 -2.435 -9.008 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.207 -4.711 -9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.340 -5.254 -10.892 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.564 -4.129 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.616 -3.524 -11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.245 -5.227 -12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.435 -3.495 -12.566 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.944 -4.084 -11.792 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.386 -1.152 -9.908 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.964 -0.851 -9.791 1.00 0.00 C ATOM 1086 C GLN A 73 -2.515 -0.898 -8.334 1.00 0.00 C ATOM 1087 O GLN A 73 -3.313 -0.682 -7.421 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.660 0.525 -10.387 1.00 0.00 C ATOM 1089 CG GLN A 73 -3.440 1.655 -9.735 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.714 2.801 -10.689 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -2.928 3.069 -11.597 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -4.833 3.486 -10.486 1.00 0.00 N ATOM 0 H GLN A 73 -4.981 -0.334 -10.038 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.412 -1.609 -10.347 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.593 0.727 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.884 0.508 -11.454 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.386 1.268 -9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.882 2.028 -8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.456 3.229 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.069 4.269 -11.095 1.00 0.00 H new ATOM 1101 N THR A 74 -1.234 -1.182 -8.123 1.00 0.00 N ATOM 1102 CA THR A 74 -0.680 -1.258 -6.777 1.00 0.00 C ATOM 1103 C THR A 74 0.283 -0.107 -6.513 1.00 0.00 C ATOM 1104 O THR A 74 1.056 -0.139 -5.556 1.00 0.00 O ATOM 1105 CB THR A 74 0.057 -2.592 -6.548 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.169 -2.697 -7.442 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.882 -3.771 -6.757 1.00 0.00 C ATOM 0 H THR A 74 -0.560 -1.363 -8.867 1.00 0.00 H new ATOM 0 HA THR A 74 -1.520 -1.191 -6.085 1.00 0.00 H new ATOM 0 HB THR A 74 0.416 -2.612 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.942 -3.059 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.340 -4.702 -6.590 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.713 -3.704 -6.054 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.267 -3.753 -7.777 1.00 0.00 H new ATOM 1115 N MET A 75 0.231 0.909 -7.367 1.00 0.00 N ATOM 1116 CA MET A 75 1.098 2.073 -7.223 1.00 0.00 C ATOM 1117 C MET A 75 0.286 3.364 -7.243 1.00 0.00 C ATOM 1118 O MET A 75 -0.454 3.629 -8.191 1.00 0.00 O ATOM 1119 CB MET A 75 2.144 2.098 -8.340 1.00 0.00 C ATOM 1120 CG MET A 75 3.435 2.797 -7.948 1.00 0.00 C ATOM 1121 SD MET A 75 4.832 2.302 -8.977 1.00 0.00 S ATOM 1122 CE MET A 75 4.961 3.712 -10.074 1.00 0.00 C ATOM 0 H MET A 75 -0.402 0.950 -8.166 1.00 0.00 H new ATOM 0 HA MET A 75 1.605 1.999 -6.261 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.371 1.074 -8.637 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.721 2.597 -9.212 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.297 3.876 -8.023 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.661 2.577 -6.905 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.861 3.379 -11.107 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.169 4.425 -9.844 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.931 4.191 -9.939 1.00 0.00 H new ATOM 1132 N VAL A 76 0.427 4.163 -6.191 1.00 0.00 N ATOM 1133 CA VAL A 76 -0.294 5.426 -6.088 1.00 0.00 C ATOM 1134 C VAL A 76 0.591 6.518 -5.495 1.00 0.00 C ATOM 1135 O VAL A 76 1.454 6.247 -4.661 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.561 5.282 -5.223 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -2.202 6.640 -4.984 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.546 4.325 -5.878 1.00 0.00 C ATOM 0 H VAL A 76 1.034 3.958 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.585 5.707 -7.100 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.275 4.868 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.095 6.518 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.495 7.291 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.476 7.086 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.435 4.235 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.828 4.708 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.081 3.346 -5.991 1.00 0.00 H new ATOM 1148 N VAL A 77 0.369 7.753 -5.932 1.00 0.00 N ATOM 1149 CA VAL A 77 1.145 8.887 -5.443 1.00 0.00 C ATOM 1150 C VAL A 77 0.303 9.782 -4.540 1.00 0.00 C ATOM 1151 O VAL A 77 -0.816 10.158 -4.890 1.00 0.00 O ATOM 1152 CB VAL A 77 1.701 9.729 -6.606 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.628 10.657 -7.155 1.00 0.00 C ATOM 1154 CG2 VAL A 77 2.921 10.520 -6.157 1.00 0.00 C ATOM 0 H VAL A 77 -0.341 7.994 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 77 1.977 8.477 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 77 2.008 9.054 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.040 11.244 -7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.213 10.066 -7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.288 11.327 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.300 11.109 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.643 11.186 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.695 9.832 -5.817 1.00 0.00 H new ATOM 1164 N LEU A 78 0.847 10.117 -3.376 1.00 0.00 N ATOM 1165 CA LEU A 78 0.146 10.969 -2.421 1.00 0.00 C ATOM 1166 C LEU A 78 0.574 12.425 -2.573 1.00 0.00 C ATOM 1167 O LEU A 78 1.704 12.713 -2.968 1.00 0.00 O ATOM 1168 CB LEU A 78 0.414 10.493 -0.992 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.107 9.100 -0.640 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.435 8.653 0.710 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.628 9.083 -0.638 1.00 0.00 C ATOM 0 H LEU A 78 1.771 9.812 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.922 10.901 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.490 10.511 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.030 11.210 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 78 0.242 8.400 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.054 7.659 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.524 8.624 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.116 9.355 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.980 8.083 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.999 9.795 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.996 9.358 -1.626 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.335 13.340 -2.255 1.00 0.00 N ATOM 1184 CA ASN A 79 -0.052 14.767 -2.354 1.00 0.00 C ATOM 1185 C ASN A 79 -0.611 15.518 -1.150 1.00 0.00 C ATOM 1186 O ASN A 79 -1.189 14.918 -0.245 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.642 15.337 -3.645 1.00 0.00 C ATOM 1188 CG ASN A 79 -1.953 14.675 -4.022 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -3.019 15.286 -3.930 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -1.882 13.420 -4.449 1.00 0.00 N ATOM 0 H ASN A 79 -1.275 13.119 -1.926 1.00 0.00 H new ATOM 0 HA ASN A 79 1.030 14.897 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.800 16.409 -3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.074 15.208 -4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.732 12.923 -4.717 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.978 12.952 -4.510 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.437 16.836 -1.149 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.925 17.670 -0.056 1.00 0.00 C ATOM 1199 C ASN A 80 -0.238 17.304 1.256 1.00 0.00 C ATOM 1200 O ASN A 80 -0.887 17.188 2.297 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.441 17.521 0.089 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.203 18.419 -0.865 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.106 19.644 -0.795 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -3.970 17.811 -1.764 1.00 0.00 N ATOM 0 H ASN A 80 0.038 17.349 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.690 18.708 -0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.720 16.483 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.730 17.755 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.508 18.363 -2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.021 16.792 -1.786 1.00 0.00 H new ATOM 1211 N LEU A 81 1.077 17.124 1.199 1.00 0.00 N ATOM 1212 CA LEU A 81 1.853 16.772 2.384 1.00 0.00 C ATOM 1213 C LEU A 81 2.900 17.839 2.686 1.00 0.00 C ATOM 1214 O LEU A 81 3.406 18.499 1.780 1.00 0.00 O ATOM 1215 CB LEU A 81 2.533 15.416 2.188 1.00 0.00 C ATOM 1216 CG LEU A 81 1.722 14.362 1.432 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.626 13.236 0.954 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.607 13.816 2.311 1.00 0.00 C ATOM 0 H LEU A 81 1.628 17.216 0.346 1.00 0.00 H new ATOM 0 HA LEU A 81 1.169 16.710 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.470 15.576 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.788 15.015 3.169 1.00 0.00 H new ATOM 0 HG LEU A 81 1.271 14.834 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.032 12.495 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.389 13.640 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.105 12.765 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.040 13.068 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.037 13.359 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.057 14.630 2.604 1.00 0.00 H new ATOM 1230 N GLU A 82 3.219 18.001 3.966 1.00 0.00 N ATOM 1231 CA GLU A 82 4.207 18.988 4.388 1.00 0.00 C ATOM 1232 C GLU A 82 5.594 18.361 4.484 1.00 0.00 C ATOM 1233 O GLU A 82 5.759 17.215 4.903 1.00 0.00 O ATOM 1234 CB GLU A 82 3.813 19.594 5.737 1.00 0.00 C ATOM 1235 CG GLU A 82 2.609 20.517 5.662 1.00 0.00 C ATOM 1236 CD GLU A 82 2.990 21.944 5.317 1.00 0.00 C ATOM 1237 OE1 GLU A 82 3.942 22.469 5.933 1.00 0.00 O ATOM 1238 OE2 GLU A 82 2.336 22.536 4.434 1.00 0.00 O ATOM 0 H GLU A 82 2.808 17.462 4.729 1.00 0.00 H new ATOM 0 HA GLU A 82 4.236 19.779 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.599 18.788 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.661 20.149 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.912 20.140 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.086 20.505 6.618 1.00 0.00 H new ATOM 1245 N PRO A 83 6.619 19.130 4.086 1.00 0.00 N ATOM 1246 CA PRO A 83 8.012 18.672 4.118 1.00 0.00 C ATOM 1247 C PRO A 83 8.543 18.530 5.540 1.00 0.00 C ATOM 1248 O PRO A 83 8.125 19.252 6.444 1.00 0.00 O ATOM 1249 CB PRO A 83 8.765 19.777 3.373 1.00 0.00 C ATOM 1250 CG PRO A 83 7.921 20.992 3.542 1.00 0.00 C ATOM 1251 CD PRO A 83 6.498 20.506 3.575 1.00 0.00 C ATOM 0 HA PRO A 83 8.127 17.684 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.761 19.926 3.789 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.893 19.528 2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.175 21.519 4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.075 21.692 2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.878 21.123 4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.043 20.528 2.585 1.00 0.00 H new ATOM 1259 N ASN A 84 9.468 17.594 5.730 1.00 0.00 N ATOM 1260 CA ASN A 84 10.056 17.357 7.044 1.00 0.00 C ATOM 1261 C ASN A 84 8.993 16.910 8.043 1.00 0.00 C ATOM 1262 O ASN A 84 9.045 17.264 9.222 1.00 0.00 O ATOM 1263 CB ASN A 84 10.749 18.624 7.551 1.00 0.00 C ATOM 1264 CG ASN A 84 11.733 18.336 8.669 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.382 17.726 9.678 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.973 18.776 8.492 1.00 0.00 N ATOM 0 H ASN A 84 9.826 16.988 4.992 1.00 0.00 H new ATOM 0 HA ASN A 84 10.794 16.561 6.947 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.273 19.104 6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.997 19.329 7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.679 18.612 9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.219 19.278 7.639 1.00 0.00 H new ATOM 1273 N THR A 85 8.030 16.129 7.566 1.00 0.00 N ATOM 1274 CA THR A 85 6.955 15.634 8.416 1.00 0.00 C ATOM 1275 C THR A 85 6.751 14.135 8.227 1.00 0.00 C ATOM 1276 O THR A 85 7.059 13.584 7.169 1.00 0.00 O ATOM 1277 CB THR A 85 5.629 16.361 8.125 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.739 17.744 8.481 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.482 15.725 8.896 1.00 0.00 C ATOM 0 H THR A 85 7.972 15.825 6.594 1.00 0.00 H new ATOM 0 HA THR A 85 7.251 15.831 9.446 1.00 0.00 H new ATOM 0 HB THR A 85 5.421 16.276 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.892 18.199 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.556 16.256 8.674 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.381 14.680 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.686 15.783 9.965 1.00 0.00 H new ATOM 1287 N THR A 86 6.230 13.479 9.259 1.00 0.00 N ATOM 1288 CA THR A 86 5.985 12.043 9.207 1.00 0.00 C ATOM 1289 C THR A 86 4.500 11.744 9.035 1.00 0.00 C ATOM 1290 O THR A 86 3.649 12.445 9.582 1.00 0.00 O ATOM 1291 CB THR A 86 6.496 11.340 10.479 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.838 11.751 10.762 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.447 9.828 10.318 1.00 0.00 C ATOM 0 H THR A 86 5.969 13.920 10.141 1.00 0.00 H new ATOM 0 HA THR A 86 6.531 11.660 8.345 1.00 0.00 H new ATOM 0 HB THR A 86 5.848 11.623 11.308 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.154 11.301 11.573 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.813 9.353 11.228 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.419 9.515 10.133 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.074 9.531 9.477 1.00 0.00 H new ATOM 1301 N TYR A 87 4.196 10.699 8.275 1.00 0.00 N ATOM 1302 CA TYR A 87 2.813 10.308 8.030 1.00 0.00 C ATOM 1303 C TYR A 87 2.673 8.789 7.999 1.00 0.00 C ATOM 1304 O TYR A 87 3.514 8.089 7.437 1.00 0.00 O ATOM 1305 CB TYR A 87 2.318 10.903 6.711 1.00 0.00 C ATOM 1306 CG TYR A 87 2.577 12.388 6.581 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.855 12.871 6.336 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.542 13.306 6.703 1.00 0.00 C ATOM 1309 CE1 TYR A 87 4.097 14.227 6.218 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.773 14.663 6.585 1.00 0.00 C ATOM 1311 CZ TYR A 87 3.051 15.118 6.344 1.00 0.00 C ATOM 1312 OH TYR A 87 3.287 16.468 6.225 1.00 0.00 O ATOM 0 H TYR A 87 4.889 10.107 7.817 1.00 0.00 H new ATOM 0 HA TYR A 87 2.204 10.695 8.847 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.803 10.384 5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.247 10.720 6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.675 12.175 6.236 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.539 12.953 6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.098 14.586 6.029 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.956 15.363 6.681 1.00 0.00 H new ATOM 0 HH TYR A 87 4.092 16.613 5.686 1.00 0.00 H new ATOM 1322 N GLU A 88 1.603 8.288 8.609 1.00 0.00 N ATOM 1323 CA GLU A 88 1.352 6.851 8.652 1.00 0.00 C ATOM 1324 C GLU A 88 0.405 6.431 7.533 1.00 0.00 C ATOM 1325 O GLU A 88 -0.724 6.915 7.446 1.00 0.00 O ATOM 1326 CB GLU A 88 0.766 6.455 10.008 1.00 0.00 C ATOM 1327 CG GLU A 88 1.447 7.129 11.187 1.00 0.00 C ATOM 1328 CD GLU A 88 0.691 6.933 12.487 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -0.209 6.070 12.526 1.00 0.00 O ATOM 1330 OE2 GLU A 88 1.002 7.645 13.466 1.00 0.00 O ATOM 0 H GLU A 88 0.897 8.854 9.079 1.00 0.00 H new ATOM 0 HA GLU A 88 2.303 6.337 8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.295 6.703 10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.842 5.374 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.456 6.732 11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.544 8.196 10.985 1.00 0.00 H new ATOM 1337 N ILE A 89 0.872 5.528 6.678 1.00 0.00 N ATOM 1338 CA ILE A 89 0.068 5.042 5.564 1.00 0.00 C ATOM 1339 C ILE A 89 -0.154 3.536 5.661 1.00 0.00 C ATOM 1340 O ILE A 89 0.732 2.795 6.089 1.00 0.00 O ATOM 1341 CB ILE A 89 0.725 5.366 4.210 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.219 4.407 3.130 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.241 5.291 4.325 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.584 4.833 1.725 1.00 0.00 C ATOM 0 H ILE A 89 1.804 5.118 6.736 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.893 5.553 5.623 1.00 0.00 H new ATOM 0 HB ILE A 89 0.452 6.382 3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.627 3.414 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.865 4.326 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.691 5.523 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.586 6.010 5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.533 4.286 4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.193 4.107 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.153 5.813 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.669 4.886 1.631 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.340 3.091 5.261 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.677 1.672 5.303 1.00 0.00 C ATOM 1358 C ARG A 90 -2.359 1.238 4.009 1.00 0.00 C ATOM 1359 O ARG A 90 -3.261 1.913 3.513 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.588 1.378 6.495 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.770 2.327 6.609 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.639 1.994 7.811 1.00 0.00 C ATOM 1363 NE ARG A 90 -5.976 2.570 7.696 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.797 2.734 8.728 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -6.418 2.367 9.945 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -7.998 3.266 8.544 1.00 0.00 N ATOM 0 H ARG A 90 -2.084 3.691 4.904 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.752 1.107 5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.960 0.357 6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.001 1.431 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.408 3.352 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.369 2.274 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.718 0.912 7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.161 2.365 8.718 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.297 2.862 6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.495 1.958 10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.050 2.494 10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.292 3.550 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.627 3.391 9.337 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.921 0.106 3.467 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.489 -0.420 2.230 1.00 0.00 C ATOM 1382 C VAL A 91 -3.486 -1.537 2.516 1.00 0.00 C ATOM 1383 O VAL A 91 -3.227 -2.420 3.333 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.391 -0.954 1.291 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -1.990 -1.383 -0.039 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.311 0.097 1.085 1.00 0.00 C ATOM 0 H VAL A 91 -1.175 -0.465 3.865 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.004 0.407 1.741 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.932 -1.828 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.200 -1.758 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.725 -2.170 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.475 -0.529 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.457 -0.296 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.752 0.990 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.137 0.351 2.046 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.627 -1.492 1.836 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.663 -2.502 2.014 1.00 0.00 C ATOM 1398 C ALA A 92 -6.207 -2.973 0.670 1.00 0.00 C ATOM 1399 O ALA A 92 -6.320 -2.192 -0.273 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.790 -1.956 2.879 1.00 0.00 C ATOM 0 H ALA A 92 -4.857 -0.767 1.157 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.216 -3.360 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.556 -2.721 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.396 -1.675 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.226 -1.080 2.398 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.541 -4.258 0.590 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.074 -4.833 -0.639 1.00 0.00 C ATOM 1408 C ALA A 93 -8.594 -4.947 -0.577 1.00 0.00 C ATOM 1409 O ALA A 93 -9.150 -5.443 0.402 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.451 -6.197 -0.896 1.00 0.00 C ATOM 0 H ALA A 93 -6.452 -4.919 1.361 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.819 -4.167 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.858 -6.615 -1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.370 -6.091 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.678 -6.863 -0.064 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.259 -4.483 -1.630 1.00 0.00 N ATOM 1417 CA VAL A 94 -10.715 -4.533 -1.695 1.00 0.00 C ATOM 1418 C VAL A 94 -11.184 -5.323 -2.913 1.00 0.00 C ATOM 1419 O VAL A 94 -10.759 -5.060 -4.038 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.324 -3.119 -1.750 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -12.811 -3.189 -2.060 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.077 -2.382 -0.443 1.00 0.00 C ATOM 0 H VAL A 94 -8.814 -4.069 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.055 -5.032 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.837 -2.563 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.223 -2.181 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.959 -3.675 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.318 -3.762 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.514 -1.385 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.536 -2.933 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.004 -2.299 -0.269 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.062 -6.292 -2.680 1.00 0.00 N ATOM 1433 CA ASN A 95 -12.589 -7.121 -3.758 1.00 0.00 C ATOM 1434 C ASN A 95 -14.100 -6.954 -3.885 1.00 0.00 C ATOM 1435 O ASN A 95 -14.732 -6.287 -3.066 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.247 -8.593 -3.511 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.147 -9.229 -2.470 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -14.004 -8.565 -1.886 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.956 -10.522 -2.233 1.00 0.00 N ATOM 0 H ASN A 95 -12.424 -6.523 -1.755 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.126 -6.798 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.332 -9.145 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.209 -8.673 -3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.532 -11.004 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.234 -11.032 -2.741 1.00 0.00 H new ATOM 1446 N GLY A 96 -14.673 -7.564 -4.918 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.105 -7.470 -5.133 1.00 0.00 C ATOM 1448 C GLY A 96 -16.901 -7.763 -3.877 1.00 0.00 C ATOM 1449 O GLY A 96 -18.064 -7.377 -3.765 1.00 0.00 O ATOM 0 H GLY A 96 -14.171 -8.121 -5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -16.351 -6.470 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.398 -8.169 -5.916 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.273 -8.450 -2.928 1.00 0.00 N ATOM 1454 CA LYS A 97 -16.930 -8.797 -1.672 1.00 0.00 C ATOM 1455 C LYS A 97 -16.940 -7.607 -0.718 1.00 0.00 C ATOM 1456 O LYS A 97 -17.998 -7.178 -0.257 1.00 0.00 O ATOM 1457 CB LYS A 97 -16.224 -9.984 -1.015 1.00 0.00 C ATOM 1458 CG LYS A 97 -17.153 -10.868 -0.198 1.00 0.00 C ATOM 1459 CD LYS A 97 -17.808 -11.935 -1.059 1.00 0.00 C ATOM 1460 CE LYS A 97 -18.698 -11.321 -2.128 1.00 0.00 C ATOM 1461 NZ LYS A 97 -19.591 -12.333 -2.755 1.00 0.00 N ATOM 0 H LYS A 97 -15.310 -8.778 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.961 -9.072 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.749 -10.587 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.429 -9.611 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.591 -11.343 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.922 -10.254 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.038 -12.545 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.400 -12.599 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.302 -10.528 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.077 -10.859 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.181 -11.875 -3.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -19.015 -13.077 -3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.201 -12.756 -2.027 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.756 -7.076 -0.427 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.654 -5.939 0.470 1.00 0.00 C ATOM 1477 C GLY A 98 -14.215 -5.541 0.737 1.00 0.00 C ATOM 1478 O GLY A 98 -13.346 -5.727 -0.113 1.00 0.00 O ATOM 0 H GLY A 98 -14.867 -7.412 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.189 -5.092 0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.143 -6.179 1.414 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.966 -4.989 1.919 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.623 -4.561 2.294 1.00 0.00 C ATOM 1484 C GLN A 99 -11.991 -5.545 3.273 1.00 0.00 C ATOM 1485 O GLN A 99 -12.414 -5.649 4.424 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.665 -3.162 2.913 1.00 0.00 C ATOM 1487 CG GLN A 99 -11.290 -2.585 3.208 1.00 0.00 C ATOM 1488 CD GLN A 99 -11.332 -1.099 3.501 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -12.116 -0.640 4.331 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -10.485 -0.338 2.819 1.00 0.00 N ATOM 0 H GLN A 99 -14.676 -4.827 2.634 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.013 -4.533 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.194 -2.490 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.240 -3.200 3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.856 -3.107 4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.634 -2.765 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.852 -0.761 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -10.467 0.670 2.974 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.976 -6.265 2.808 1.00 0.00 N ATOM 1500 CA GLY A 100 -10.302 -7.232 3.655 1.00 0.00 C ATOM 1501 C GLY A 100 -9.639 -6.587 4.856 1.00 0.00 C ATOM 1502 O GLY A 100 -10.260 -5.793 5.563 1.00 0.00 O ATOM 0 H GLY A 100 -10.608 -6.196 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.022 -7.975 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.550 -7.762 3.070 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.378 -6.932 5.090 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.631 -6.382 6.215 1.00 0.00 C ATOM 1508 C ASP A 101 -6.609 -5.354 5.739 1.00 0.00 C ATOM 1509 O ASP A 101 -6.260 -5.313 4.559 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.927 -7.502 6.983 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.882 -8.300 7.848 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.724 -9.031 7.284 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -7.787 -8.196 9.089 1.00 0.00 O ATOM 0 H ASP A 101 -7.851 -7.590 4.516 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.337 -5.884 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.437 -8.171 6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.146 -7.073 7.610 1.00 0.00 H new ATOM 1518 N TYR A 102 -6.137 -4.526 6.664 1.00 0.00 N ATOM 1519 CA TYR A 102 -5.157 -3.496 6.337 1.00 0.00 C ATOM 1520 C TYR A 102 -3.735 -4.023 6.502 1.00 0.00 C ATOM 1521 O TYR A 102 -3.487 -4.934 7.292 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.364 -2.267 7.225 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.510 -1.386 6.783 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -6.349 -0.471 5.749 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -7.753 -1.468 7.398 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -7.393 0.337 5.342 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -8.803 -0.665 6.996 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.618 0.237 5.968 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.660 1.039 5.565 1.00 0.00 O ATOM 0 H TYR A 102 -6.416 -4.547 7.645 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.300 -3.212 5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.543 -2.595 8.249 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.447 -1.678 7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.392 -0.390 5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.901 -2.171 8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.251 1.043 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.763 -0.743 7.484 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.453 0.843 6.107 1.00 0.00 H new ATOM 1539 N SER A 103 -2.806 -3.442 5.751 1.00 0.00 N ATOM 1540 CA SER A 103 -1.408 -3.855 5.810 1.00 0.00 C ATOM 1541 C SER A 103 -0.711 -3.244 7.022 1.00 0.00 C ATOM 1542 O SER A 103 -1.229 -2.318 7.650 1.00 0.00 O ATOM 1543 CB SER A 103 -0.679 -3.446 4.529 1.00 0.00 C ATOM 1544 OG SER A 103 0.692 -3.189 4.782 1.00 0.00 O ATOM 0 H SER A 103 -2.995 -2.684 5.095 1.00 0.00 H new ATOM 0 HA SER A 103 -1.380 -4.940 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.773 -4.237 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.147 -2.556 4.109 1.00 0.00 H new ATOM 0 HG SER A 103 0.901 -2.263 4.540 1.00 0.00 H new ATOM 1550 N LYS A 104 0.465 -3.767 7.347 1.00 0.00 N ATOM 1551 CA LYS A 104 1.235 -3.274 8.483 1.00 0.00 C ATOM 1552 C LYS A 104 1.439 -1.766 8.389 1.00 0.00 C ATOM 1553 O LYS A 104 2.134 -1.279 7.496 1.00 0.00 O ATOM 1554 CB LYS A 104 2.592 -3.980 8.551 1.00 0.00 C ATOM 1555 CG LYS A 104 3.547 -3.366 9.560 1.00 0.00 C ATOM 1556 CD LYS A 104 4.934 -3.977 9.457 1.00 0.00 C ATOM 1557 CE LYS A 104 5.705 -3.833 10.761 1.00 0.00 C ATOM 1558 NZ LYS A 104 7.075 -4.406 10.662 1.00 0.00 N ATOM 0 H LYS A 104 0.907 -4.533 6.839 1.00 0.00 H new ATOM 0 HA LYS A 104 0.673 -3.491 9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.434 -5.028 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.054 -3.956 7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.609 -2.290 9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.157 -3.513 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.849 -5.032 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.487 -3.494 8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.771 -2.779 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.160 -4.332 11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.567 -4.288 11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.012 -5.418 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.604 -3.913 9.915 1.00 0.00 H new ATOM 1572 N ILE A 105 0.831 -1.032 9.315 1.00 0.00 N ATOM 1573 CA ILE A 105 0.949 0.421 9.336 1.00 0.00 C ATOM 1574 C ILE A 105 2.348 0.865 8.927 1.00 0.00 C ATOM 1575 O ILE A 105 3.335 0.518 9.576 1.00 0.00 O ATOM 1576 CB ILE A 105 0.628 0.991 10.730 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.838 0.735 11.086 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.939 2.479 10.778 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.811 1.518 10.233 1.00 0.00 C ATOM 0 H ILE A 105 0.252 -1.419 10.060 1.00 0.00 H new ATOM 0 HA ILE A 105 0.225 0.807 8.619 1.00 0.00 H new ATOM 0 HB ILE A 105 1.253 0.485 11.466 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.049 -0.329 10.980 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.999 0.989 12.134 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.707 2.867 11.770 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.996 2.637 10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.337 3.001 10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.831 1.288 10.540 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.627 2.585 10.357 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.677 1.246 9.186 1.00 0.00 H new ATOM 1591 N GLU A 106 2.428 1.636 7.848 1.00 0.00 N ATOM 1592 CA GLU A 106 3.708 2.129 7.353 1.00 0.00 C ATOM 1593 C GLU A 106 3.934 3.577 7.776 1.00 0.00 C ATOM 1594 O GLU A 106 2.989 4.362 7.870 1.00 0.00 O ATOM 1595 CB GLU A 106 3.768 2.016 5.828 1.00 0.00 C ATOM 1596 CG GLU A 106 3.834 0.585 5.326 1.00 0.00 C ATOM 1597 CD GLU A 106 5.125 -0.111 5.714 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.171 0.567 5.765 1.00 0.00 O ATOM 1599 OE2 GLU A 106 5.086 -1.333 5.968 1.00 0.00 O ATOM 0 H GLU A 106 1.621 1.933 7.299 1.00 0.00 H new ATOM 0 HA GLU A 106 4.497 1.515 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.890 2.502 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.641 2.560 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.989 0.024 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.735 0.580 4.241 1.00 0.00 H new ATOM 1606 N ILE A 107 5.191 3.924 8.031 1.00 0.00 N ATOM 1607 CA ILE A 107 5.541 5.278 8.443 1.00 0.00 C ATOM 1608 C ILE A 107 6.650 5.850 7.568 1.00 0.00 C ATOM 1609 O ILE A 107 7.778 5.357 7.574 1.00 0.00 O ATOM 1610 CB ILE A 107 5.992 5.319 9.916 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.954 4.638 10.809 1.00 0.00 C ATOM 1612 CG2 ILE A 107 6.221 6.756 10.359 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.499 4.216 12.156 1.00 0.00 C ATOM 0 H ILE A 107 5.984 3.286 7.960 1.00 0.00 H new ATOM 0 HA ILE A 107 4.643 5.885 8.329 1.00 0.00 H new ATOM 0 HB ILE A 107 6.933 4.777 10.008 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.116 5.318 10.962 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.563 3.761 10.294 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.539 6.769 11.401 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.994 7.209 9.738 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.294 7.321 10.255 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.708 3.740 12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.318 3.511 12.013 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.864 5.092 12.691 1.00 0.00 H new ATOM 1625 N PHE A 108 6.322 6.895 6.814 1.00 0.00 N ATOM 1626 CA PHE A 108 7.290 7.536 5.933 1.00 0.00 C ATOM 1627 C PHE A 108 7.344 9.040 6.186 1.00 0.00 C ATOM 1628 O PHE A 108 6.311 9.695 6.320 1.00 0.00 O ATOM 1629 CB PHE A 108 6.936 7.267 4.469 1.00 0.00 C ATOM 1630 CG PHE A 108 5.735 8.033 3.992 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.834 9.379 3.682 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.507 7.406 3.856 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.730 10.086 3.242 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.401 8.108 3.416 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.512 9.450 3.110 1.00 0.00 C ATOM 0 H PHE A 108 5.393 7.315 6.796 1.00 0.00 H new ATOM 0 HA PHE A 108 8.272 7.114 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.792 7.522 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.752 6.201 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.784 9.882 3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.413 6.357 4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.821 11.135 3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.450 7.607 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.648 10.001 2.768 1.00 0.00 H new ATOM 1645 N GLN A 109 8.557 9.580 6.250 1.00 0.00 N ATOM 1646 CA GLN A 109 8.746 11.006 6.490 1.00 0.00 C ATOM 1647 C GLN A 109 9.194 11.716 5.216 1.00 0.00 C ATOM 1648 O GLN A 109 10.245 11.403 4.654 1.00 0.00 O ATOM 1649 CB GLN A 109 9.776 11.226 7.599 1.00 0.00 C ATOM 1650 CG GLN A 109 9.988 12.691 7.951 1.00 0.00 C ATOM 1651 CD GLN A 109 11.230 12.915 8.789 1.00 0.00 C ATOM 1652 OE1 GLN A 109 11.602 12.073 9.607 1.00 0.00 O ATOM 1653 NE2 GLN A 109 11.880 14.056 8.590 1.00 0.00 N ATOM 0 H GLN A 109 9.423 9.052 6.139 1.00 0.00 H new ATOM 0 HA GLN A 109 7.790 11.427 6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.456 10.689 8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.728 10.794 7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.063 13.274 7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.117 13.060 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.536 14.726 7.902 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.723 14.263 9.126 1.00 0.00 H new ATOM 1662 N THR A 110 8.391 12.675 4.765 1.00 0.00 N ATOM 1663 CA THR A 110 8.704 13.429 3.558 1.00 0.00 C ATOM 1664 C THR A 110 10.112 14.008 3.621 1.00 0.00 C ATOM 1665 O THR A 110 10.765 13.970 4.665 1.00 0.00 O ATOM 1666 CB THR A 110 7.699 14.575 3.336 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.646 15.412 4.496 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.312 14.028 3.035 1.00 0.00 C ATOM 0 H THR A 110 7.519 12.948 5.218 1.00 0.00 H new ATOM 0 HA THR A 110 8.639 12.731 2.723 1.00 0.00 H new ATOM 0 HB THR A 110 8.034 15.162 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.867 16.003 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.620 14.856 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.350 13.416 2.134 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.971 13.420 3.873 1.00 0.00 H new ATOM 1676 N LEU A 111 10.577 14.544 2.497 1.00 0.00 N ATOM 1677 CA LEU A 111 11.909 15.133 2.425 1.00 0.00 C ATOM 1678 C LEU A 111 11.870 16.617 2.775 1.00 0.00 C ATOM 1679 O LEU A 111 10.949 17.343 2.401 1.00 0.00 O ATOM 1680 CB LEU A 111 12.496 14.943 1.025 1.00 0.00 C ATOM 1681 CG LEU A 111 12.671 13.497 0.560 1.00 0.00 C ATOM 1682 CD1 LEU A 111 12.863 13.441 -0.948 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.846 12.846 1.274 1.00 0.00 C ATOM 0 H LEU A 111 10.051 14.582 1.624 1.00 0.00 H new ATOM 0 HA LEU A 111 12.543 14.625 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.853 15.458 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.468 15.434 0.991 1.00 0.00 H new ATOM 0 HG LEU A 111 11.767 12.942 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.986 12.404 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 111 11.990 13.868 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.751 14.011 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.956 11.817 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.758 13.401 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.667 12.853 2.349 1.00 0.00 H new ATOM 1695 N PRO A 112 12.892 17.079 3.510 1.00 0.00 N ATOM 1696 CA PRO A 112 12.997 18.482 3.924 1.00 0.00 C ATOM 1697 C PRO A 112 13.290 19.412 2.752 1.00 0.00 C ATOM 1698 O PRO A 112 14.325 19.294 2.095 1.00 0.00 O ATOM 1699 CB PRO A 112 14.171 18.473 4.907 1.00 0.00 C ATOM 1700 CG PRO A 112 14.994 17.298 4.505 1.00 0.00 C ATOM 1701 CD PRO A 112 14.023 16.270 3.991 1.00 0.00 C ATOM 0 HA PRO A 112 12.066 18.852 4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.745 19.398 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.825 18.380 5.936 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.716 17.572 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.561 16.911 5.351 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.458 15.671 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.717 15.578 4.776 1.00 0.00 H new ATOM 1709 N VAL A 113 12.372 20.339 2.496 1.00 0.00 N ATOM 1710 CA VAL A 113 12.533 21.292 1.404 1.00 0.00 C ATOM 1711 C VAL A 113 14.000 21.660 1.207 1.00 0.00 C ATOM 1712 O VAL A 113 14.705 21.979 2.164 1.00 0.00 O ATOM 1713 CB VAL A 113 11.722 22.577 1.656 1.00 0.00 C ATOM 1714 CG1 VAL A 113 11.837 23.523 0.469 1.00 0.00 C ATOM 1715 CG2 VAL A 113 10.267 22.240 1.941 1.00 0.00 C ATOM 0 H VAL A 113 11.510 20.450 3.030 1.00 0.00 H new ATOM 0 HA VAL A 113 12.159 20.806 0.503 1.00 0.00 H new ATOM 0 HB VAL A 113 12.133 23.080 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 113 11.258 24.425 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 113 12.883 23.790 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.453 23.033 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.708 23.159 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.841 21.714 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.207 21.604 2.825 1.00 0.00 H new