USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 497 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 1 ALA N :NH3+ -167:sc= 1.43 (180deg=0.0788!) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.116 K(o=1.3,f=-0.76) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.214 K(o=5.5,f=3.4) USER MOD Set 2.2: A 33 TYR OH : rot 22:sc= 2.43 USER MOD Set 2.3: A 70 LYS NZ :NH3+ 179:sc= 2.81 (180deg=1.34) USER MOD Set 3.1: A 20 CYS SG : rot 180:sc= 0.0375 USER MOD Set 3.2: A 24 CYS SG : rot 146:sc= 0.269 USER MOD Single : A 2 TYR OH : rot 180:sc= 1.18 USER MOD Single : A 5 THR OG1 : rot -60:sc= 1.17 USER MOD Single : A 8 CYS SG : rot -21:sc= -0.138 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -3.2! C(o=-3.2!,f=-3.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 170:sc= -2.24! USER MOD Single : A 42 CYS SG : rot 180:sc= 0.124 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.649 USER MOD Single : A 49 CYS SG : rot 120:sc= -0.833 USER MOD Single : A 52 SER OG : rot -69:sc= 1.18 USER MOD Single : A 55 TYR OH : rot 87:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 2.65 (180deg=2.41) USER MOD Single : A 66 SER OG : rot 93:sc= 1.11 USER MOD Single : A 67 TYR OH : rot -151:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0.226 K(o=0.23,f=-1) USER MOD Single : A 71 ASN : amide:sc= -1.63! C(o=-1.6!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.772 -4.879 8.798 1.00 0.00 N ATOM 2 CA ALA A 1 -0.970 -4.094 7.852 1.00 0.00 C ATOM 3 C ALA A 1 -1.840 -3.432 6.773 1.00 0.00 C ATOM 4 O ALA A 1 -2.838 -4.013 6.342 1.00 0.00 O ATOM 5 CB ALA A 1 -0.034 -3.117 8.540 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.191 -5.125 9.625 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.593 -4.319 9.105 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.101 -5.750 8.335 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.321 -4.800 7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.532 -2.566 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.615 -2.418 9.142 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.654 -3.665 9.184 1.00 0.00 H new ATOM 12 N TYR A 2 -1.464 -2.221 6.337 1.00 0.00 N ATOM 13 CA TYR A 2 -2.134 -1.449 5.301 1.00 0.00 C ATOM 14 C TYR A 2 -1.346 -1.584 4.008 1.00 0.00 C ATOM 15 O TYR A 2 -0.135 -1.383 4.002 1.00 0.00 O ATOM 16 CB TYR A 2 -2.267 0.013 5.733 1.00 0.00 C ATOM 17 CG TYR A 2 -3.613 0.330 6.345 1.00 0.00 C ATOM 18 CD1 TYR A 2 -3.844 0.097 7.712 1.00 0.00 C ATOM 19 CD2 TYR A 2 -4.669 0.766 5.525 1.00 0.00 C ATOM 20 CE1 TYR A 2 -5.099 0.383 8.274 1.00 0.00 C ATOM 21 CE2 TYR A 2 -5.925 1.043 6.087 1.00 0.00 C ATOM 22 CZ TYR A 2 -6.123 0.914 7.473 1.00 0.00 C ATOM 23 OH TYR A 2 -7.340 1.181 8.025 1.00 0.00 O ATOM 0 H TYR A 2 -0.649 -1.740 6.718 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.143 -1.829 5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.483 0.246 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.107 0.657 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -3.055 -0.303 8.331 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.514 0.888 4.463 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.277 0.194 9.322 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -6.741 1.356 5.453 1.00 0.00 H new ATOM 0 HH TYR A 2 -7.938 1.545 7.339 1.00 0.00 H new ATOM 33 N VAL A 3 -2.025 -1.998 2.938 1.00 0.00 N ATOM 34 CA VAL A 3 -1.372 -2.541 1.756 1.00 0.00 C ATOM 35 C VAL A 3 -2.019 -2.029 0.476 1.00 0.00 C ATOM 36 O VAL A 3 -3.163 -1.584 0.452 1.00 0.00 O ATOM 37 CB VAL A 3 -1.403 -4.074 1.810 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.246 -4.667 1.000 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.320 -4.622 3.237 1.00 0.00 C ATOM 0 H VAL A 3 -3.042 -1.965 2.870 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.335 -2.205 1.748 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.362 -4.368 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.286 -5.755 1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.329 -4.349 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.702 -4.319 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.346 -5.711 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.390 -4.293 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.165 -4.253 3.818 1.00 0.00 H new ATOM 49 N ILE A 4 -1.242 -2.090 -0.600 1.00 0.00 N ATOM 50 CA ILE A 4 -1.640 -1.614 -1.905 1.00 0.00 C ATOM 51 C ILE A 4 -2.821 -2.419 -2.453 1.00 0.00 C ATOM 52 O ILE A 4 -3.022 -3.570 -2.066 1.00 0.00 O ATOM 53 CB ILE A 4 -0.396 -1.714 -2.822 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.325 -0.544 -3.811 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.345 -3.033 -3.584 1.00 0.00 C ATOM 56 CD1 ILE A 4 0.073 0.761 -3.115 1.00 0.00 C ATOM 0 H ILE A 4 -0.300 -2.481 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.985 -0.581 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 4 0.469 -1.669 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.397 -0.773 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.293 -0.418 -4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.545 -3.056 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.310 -3.861 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.233 -3.127 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.113 1.567 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.663 1.004 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.053 0.643 -2.653 1.00 0.00 H new ATOM 68 N THR A 5 -3.550 -1.852 -3.416 1.00 0.00 N ATOM 69 CA THR A 5 -4.420 -2.620 -4.286 1.00 0.00 C ATOM 70 C THR A 5 -4.351 -2.051 -5.701 1.00 0.00 C ATOM 71 O THR A 5 -3.876 -0.932 -5.914 1.00 0.00 O ATOM 72 CB THR A 5 -5.877 -2.580 -3.800 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.336 -1.252 -3.684 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.097 -3.298 -2.476 1.00 0.00 C ATOM 0 H THR A 5 -3.549 -0.850 -3.608 1.00 0.00 H new ATOM 0 HA THR A 5 -4.082 -3.656 -4.274 1.00 0.00 H new ATOM 0 HB THR A 5 -6.449 -3.111 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.781 -0.769 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.148 -3.229 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.817 -4.346 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.484 -2.834 -1.704 1.00 0.00 H new ATOM 82 N GLU A 6 -4.899 -2.842 -6.627 1.00 0.00 N ATOM 83 CA GLU A 6 -5.228 -2.523 -8.006 1.00 0.00 C ATOM 84 C GLU A 6 -5.198 -1.021 -8.361 1.00 0.00 C ATOM 85 O GLU A 6 -4.356 -0.639 -9.167 1.00 0.00 O ATOM 86 CB GLU A 6 -6.519 -3.261 -8.358 1.00 0.00 C ATOM 87 CG GLU A 6 -6.939 -3.199 -9.831 1.00 0.00 C ATOM 88 CD GLU A 6 -6.120 -4.122 -10.732 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.276 -4.875 -10.193 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.353 -4.054 -11.956 1.00 0.00 O ATOM 0 H GLU A 6 -5.143 -3.807 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.431 -2.883 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.406 -4.308 -8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.327 -2.852 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.993 -3.464 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.840 -2.174 -10.187 1.00 0.00 H new ATOM 97 N PRO A 7 -6.061 -0.147 -7.805 1.00 0.00 N ATOM 98 CA PRO A 7 -6.128 1.260 -8.194 1.00 0.00 C ATOM 99 C PRO A 7 -4.797 2.033 -8.243 1.00 0.00 C ATOM 100 O PRO A 7 -4.672 2.963 -9.045 1.00 0.00 O ATOM 101 CB PRO A 7 -7.145 1.931 -7.259 1.00 0.00 C ATOM 102 CG PRO A 7 -7.554 0.857 -6.249 1.00 0.00 C ATOM 103 CD PRO A 7 -7.167 -0.459 -6.914 1.00 0.00 C ATOM 0 HA PRO A 7 -6.435 1.290 -9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.705 2.793 -6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.009 2.293 -7.816 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.037 0.989 -5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.623 0.896 -6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.872 -1.200 -6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.007 -0.879 -7.467 1.00 0.00 H new ATOM 111 N CYS A 8 -3.803 1.701 -7.408 1.00 0.00 N ATOM 112 CA CYS A 8 -2.525 2.409 -7.493 1.00 0.00 C ATOM 113 C CYS A 8 -1.808 2.088 -8.817 1.00 0.00 C ATOM 114 O CYS A 8 -1.050 2.912 -9.323 1.00 0.00 O ATOM 115 CB CYS A 8 -1.652 2.114 -6.298 1.00 0.00 C ATOM 116 SG CYS A 8 -0.063 3.006 -6.287 1.00 0.00 S ATOM 0 H CYS A 8 -3.855 0.975 -6.693 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.731 3.479 -7.481 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.202 2.365 -5.391 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.454 1.043 -6.264 1.00 0.00 H new ATOM 0 HG CYS A 8 0.234 3.379 -7.496 1.00 0.00 H new ATOM 121 N ILE A 9 -2.053 0.911 -9.412 1.00 0.00 N ATOM 122 CA ILE A 9 -1.413 0.494 -10.646 1.00 0.00 C ATOM 123 C ILE A 9 -1.566 1.577 -11.708 1.00 0.00 C ATOM 124 O ILE A 9 -2.661 2.066 -11.983 1.00 0.00 O ATOM 125 CB ILE A 9 -1.909 -0.874 -11.119 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.537 -1.907 -10.049 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.249 -1.245 -12.461 1.00 0.00 C ATOM 128 CD1 ILE A 9 -2.141 -3.274 -10.313 1.00 0.00 C ATOM 0 H ILE A 9 -2.708 0.224 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.348 0.366 -10.455 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.989 -0.852 -11.267 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.452 -1.998 -10.001 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.871 -1.550 -9.075 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.610 -2.220 -12.787 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.502 -0.495 -13.211 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.167 -1.282 -12.336 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.843 -3.962 -9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.228 -3.194 -10.333 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.787 -3.649 -11.273 1.00 0.00 H new ATOM 140 N GLY A 10 -0.437 1.976 -12.278 1.00 0.00 N ATOM 141 CA GLY A 10 -0.355 3.048 -13.247 1.00 0.00 C ATOM 142 C GLY A 10 -0.188 4.378 -12.526 1.00 0.00 C ATOM 143 O GLY A 10 0.786 5.093 -12.770 1.00 0.00 O ATOM 0 H GLY A 10 0.466 1.550 -12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.486 2.880 -13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.256 3.066 -13.861 1.00 0.00 H new ATOM 216 N CYS A 16 1.563 9.456 -0.626 1.00 0.00 N ATOM 217 CA CYS A 16 1.798 8.325 0.257 1.00 0.00 C ATOM 218 C CYS A 16 3.269 8.164 0.677 1.00 0.00 C ATOM 219 O CYS A 16 3.526 7.793 1.819 1.00 0.00 O ATOM 220 CB CYS A 16 1.246 7.065 -0.351 1.00 0.00 C ATOM 221 SG CYS A 16 2.053 6.531 -1.883 1.00 0.00 S ATOM 0 HA CYS A 16 1.262 8.531 1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.325 6.262 0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.184 7.211 -0.550 1.00 0.00 H new ATOM 0 HG CYS A 16 1.494 5.437 -2.309 1.00 0.00 H new ATOM 226 N VAL A 17 4.249 8.407 -0.204 1.00 0.00 N ATOM 227 CA VAL A 17 5.617 7.956 0.061 1.00 0.00 C ATOM 228 C VAL A 17 6.208 8.585 1.331 1.00 0.00 C ATOM 229 O VAL A 17 6.788 7.887 2.160 1.00 0.00 O ATOM 230 CB VAL A 17 6.535 8.088 -1.175 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.936 9.522 -1.541 1.00 0.00 C ATOM 232 CG2 VAL A 17 7.835 7.300 -0.966 1.00 0.00 C ATOM 0 H VAL A 17 4.123 8.902 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 17 5.557 6.887 0.266 1.00 0.00 H new ATOM 0 HB VAL A 17 5.932 7.694 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.579 9.507 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.041 10.106 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.473 9.974 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.469 7.404 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.359 7.688 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.601 6.247 -0.810 1.00 0.00 H new ATOM 242 N GLU A 18 6.085 9.906 1.481 1.00 0.00 N ATOM 243 CA GLU A 18 6.819 10.641 2.504 1.00 0.00 C ATOM 244 C GLU A 18 6.166 10.571 3.890 1.00 0.00 C ATOM 245 O GLU A 18 6.828 10.855 4.887 1.00 0.00 O ATOM 246 CB GLU A 18 7.079 12.085 2.047 1.00 0.00 C ATOM 247 CG GLU A 18 5.854 12.828 1.498 1.00 0.00 C ATOM 248 CD GLU A 18 6.198 14.290 1.244 1.00 0.00 C ATOM 249 OE1 GLU A 18 6.888 14.540 0.232 1.00 0.00 O ATOM 250 OE2 GLU A 18 5.794 15.124 2.081 1.00 0.00 O ATOM 0 H GLU A 18 5.480 10.488 0.902 1.00 0.00 H new ATOM 0 HA GLU A 18 7.783 10.147 2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.478 12.649 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.851 12.072 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.519 12.359 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.029 12.758 2.207 1.00 0.00 H new ATOM 257 N VAL A 19 4.879 10.226 3.979 1.00 0.00 N ATOM 258 CA VAL A 19 4.136 10.386 5.227 1.00 0.00 C ATOM 259 C VAL A 19 4.424 9.279 6.245 1.00 0.00 C ATOM 260 O VAL A 19 4.123 9.446 7.426 1.00 0.00 O ATOM 261 CB VAL A 19 2.628 10.552 4.963 1.00 0.00 C ATOM 262 CG1 VAL A 19 2.400 11.737 4.016 1.00 0.00 C ATOM 263 CG2 VAL A 19 1.939 9.294 4.412 1.00 0.00 C ATOM 0 H VAL A 19 4.336 9.838 3.208 1.00 0.00 H new ATOM 0 HA VAL A 19 4.495 11.307 5.686 1.00 0.00 H new ATOM 0 HB VAL A 19 2.167 10.738 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.332 11.854 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.791 12.647 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.915 11.553 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.880 9.498 4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.399 9.013 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.049 8.477 5.125 1.00 0.00 H new ATOM 273 N CYS A 20 4.945 8.130 5.806 1.00 0.00 N ATOM 274 CA CYS A 20 4.964 6.930 6.630 1.00 0.00 C ATOM 275 C CYS A 20 6.030 6.980 7.734 1.00 0.00 C ATOM 276 O CYS A 20 7.222 7.051 7.431 1.00 0.00 O ATOM 277 CB CYS A 20 5.125 5.726 5.753 1.00 0.00 C ATOM 278 SG CYS A 20 5.248 4.128 6.591 1.00 0.00 S ATOM 0 H CYS A 20 5.359 8.011 4.881 1.00 0.00 H new ATOM 0 HA CYS A 20 4.010 6.866 7.153 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.278 5.688 5.068 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.020 5.863 5.146 1.00 0.00 H new ATOM 0 HG CYS A 20 5.381 3.184 5.707 1.00 0.00 H new ATOM 283 N PRO A 21 5.627 6.892 9.018 1.00 0.00 N ATOM 284 CA PRO A 21 6.534 6.858 10.159 1.00 0.00 C ATOM 285 C PRO A 21 7.695 5.873 10.013 1.00 0.00 C ATOM 286 O PRO A 21 8.774 6.128 10.542 1.00 0.00 O ATOM 287 CB PRO A 21 5.667 6.478 11.362 1.00 0.00 C ATOM 288 CG PRO A 21 4.298 7.040 10.994 1.00 0.00 C ATOM 289 CD PRO A 21 4.247 6.825 9.484 1.00 0.00 C ATOM 0 HA PRO A 21 7.015 7.831 10.262 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.633 5.399 11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.047 6.914 12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.492 6.514 11.506 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.208 8.094 11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.801 5.860 9.243 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.636 7.588 9.002 1.00 0.00 H new ATOM 297 N VAL A 22 7.455 4.738 9.350 1.00 0.00 N ATOM 298 CA VAL A 22 8.434 3.671 9.174 1.00 0.00 C ATOM 299 C VAL A 22 8.778 3.482 7.691 1.00 0.00 C ATOM 300 O VAL A 22 9.124 2.372 7.296 1.00 0.00 O ATOM 301 CB VAL A 22 7.916 2.380 9.843 1.00 0.00 C ATOM 302 CG1 VAL A 22 7.810 2.560 11.363 1.00 0.00 C ATOM 303 CG2 VAL A 22 6.550 1.936 9.298 1.00 0.00 C ATOM 0 H VAL A 22 6.556 4.535 8.913 1.00 0.00 H new ATOM 0 HA VAL A 22 9.368 3.943 9.666 1.00 0.00 H new ATOM 0 HB VAL A 22 8.643 1.603 9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.443 1.638 11.814 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.793 2.797 11.771 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.119 3.373 11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.235 1.024 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.815 2.721 9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.629 1.748 8.227 1.00 0.00 H new ATOM 313 N ASP A 23 8.647 4.547 6.883 1.00 0.00 N ATOM 314 CA ASP A 23 9.183 4.722 5.531 1.00 0.00 C ATOM 315 C ASP A 23 9.012 3.569 4.525 1.00 0.00 C ATOM 316 O ASP A 23 9.573 3.615 3.433 1.00 0.00 O ATOM 317 CB ASP A 23 10.635 5.221 5.621 1.00 0.00 C ATOM 318 CG ASP A 23 11.622 4.159 6.092 1.00 0.00 C ATOM 319 OD1 ASP A 23 11.815 4.076 7.325 1.00 0.00 O ATOM 320 OD2 ASP A 23 12.201 3.478 5.218 1.00 0.00 O ATOM 0 H ASP A 23 8.123 5.368 7.185 1.00 0.00 H new ATOM 0 HA ASP A 23 8.537 5.474 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.946 5.584 4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.676 6.070 6.303 1.00 0.00 H new ATOM 325 N CYS A 24 8.190 2.560 4.820 1.00 0.00 N ATOM 326 CA CYS A 24 8.224 1.288 4.106 1.00 0.00 C ATOM 327 C CYS A 24 7.423 1.264 2.801 1.00 0.00 C ATOM 328 O CYS A 24 7.293 0.197 2.196 1.00 0.00 O ATOM 329 CB CYS A 24 7.798 0.148 5.032 1.00 0.00 C ATOM 330 SG CYS A 24 6.010 0.180 5.301 1.00 0.00 S ATOM 0 H CYS A 24 7.486 2.604 5.557 1.00 0.00 H new ATOM 0 HA CYS A 24 9.261 1.149 3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.089 -0.808 4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.316 0.235 5.987 1.00 0.00 H new ATOM 0 HG CYS A 24 5.566 -1.037 5.415 1.00 0.00 H new ATOM 336 N ILE A 25 6.925 2.414 2.332 1.00 0.00 N ATOM 337 CA ILE A 25 6.416 2.528 0.971 1.00 0.00 C ATOM 338 C ILE A 25 7.618 2.548 0.036 1.00 0.00 C ATOM 339 O ILE A 25 8.320 3.556 -0.036 1.00 0.00 O ATOM 340 CB ILE A 25 5.559 3.792 0.773 1.00 0.00 C ATOM 341 CG1 ILE A 25 4.304 3.726 1.651 1.00 0.00 C ATOM 342 CG2 ILE A 25 5.114 3.932 -0.691 1.00 0.00 C ATOM 343 CD1 ILE A 25 4.397 4.682 2.820 1.00 0.00 C ATOM 0 H ILE A 25 6.866 3.274 2.878 1.00 0.00 H new ATOM 0 HA ILE A 25 5.764 1.681 0.757 1.00 0.00 H new ATOM 0 HB ILE A 25 6.171 4.650 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.426 3.966 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.170 2.709 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.510 4.833 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.992 4.001 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.523 3.061 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.491 4.610 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.261 4.425 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.506 5.701 2.449 1.00 0.00 H new ATOM 355 N HIS A 26 7.856 1.449 -0.675 1.00 0.00 N ATOM 356 CA HIS A 26 8.920 1.332 -1.646 1.00 0.00 C ATOM 357 C HIS A 26 8.319 1.091 -3.032 1.00 0.00 C ATOM 358 O HIS A 26 7.102 1.072 -3.180 1.00 0.00 O ATOM 359 CB HIS A 26 9.844 0.215 -1.172 1.00 0.00 C ATOM 360 CG HIS A 26 9.606 -1.123 -1.810 1.00 0.00 C ATOM 361 ND1 HIS A 26 10.423 -1.720 -2.741 1.00 0.00 N ATOM 362 CD2 HIS A 26 8.506 -1.916 -1.644 1.00 0.00 C ATOM 363 CE1 HIS A 26 9.845 -2.879 -3.093 1.00 0.00 C ATOM 364 NE2 HIS A 26 8.680 -3.044 -2.446 1.00 0.00 N ATOM 0 H HIS A 26 7.297 0.601 -0.584 1.00 0.00 H new ATOM 0 HA HIS A 26 9.510 2.244 -1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.875 0.512 -1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.737 0.110 -0.092 1.00 0.00 H new ATOM 0 HD1 HIS A 26 11.304 -1.351 -3.098 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.658 -1.708 -1.009 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.260 -3.582 -3.800 1.00 0.00 H new ATOM 372 N GLU A 27 9.147 0.901 -4.052 1.00 0.00 N ATOM 373 CA GLU A 27 8.735 0.861 -5.439 1.00 0.00 C ATOM 374 C GLU A 27 8.742 -0.569 -5.970 1.00 0.00 C ATOM 375 O GLU A 27 9.665 -1.327 -5.673 1.00 0.00 O ATOM 376 CB GLU A 27 9.673 1.741 -6.284 1.00 0.00 C ATOM 377 CG GLU A 27 10.255 2.964 -5.560 1.00 0.00 C ATOM 378 CD GLU A 27 11.588 2.685 -4.857 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.635 1.735 -4.042 1.00 0.00 O ATOM 380 OE2 GLU A 27 12.549 3.421 -5.163 1.00 0.00 O ATOM 0 H GLU A 27 10.151 0.767 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 27 7.717 1.244 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.498 1.125 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.128 2.085 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.396 3.769 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.533 3.318 -4.824 1.00 0.00 H new ATOM 387 N GLY A 28 7.748 -0.928 -6.789 1.00 0.00 N ATOM 388 CA GLY A 28 7.810 -2.157 -7.575 1.00 0.00 C ATOM 389 C GLY A 28 7.881 -1.863 -9.065 1.00 0.00 C ATOM 390 O GLY A 28 8.564 -0.932 -9.483 1.00 0.00 O ATOM 0 H GLY A 28 6.895 -0.385 -6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.683 -2.738 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.933 -2.769 -7.365 1.00 0.00 H new ATOM 394 N GLU A 29 7.197 -2.688 -9.862 1.00 0.00 N ATOM 395 CA GLU A 29 7.273 -2.688 -11.306 1.00 0.00 C ATOM 396 C GLU A 29 6.851 -1.330 -11.848 1.00 0.00 C ATOM 397 O GLU A 29 7.630 -0.625 -12.484 1.00 0.00 O ATOM 398 CB GLU A 29 6.355 -3.799 -11.833 1.00 0.00 C ATOM 399 CG GLU A 29 6.759 -5.194 -11.330 1.00 0.00 C ATOM 400 CD GLU A 29 6.100 -5.610 -10.021 1.00 0.00 C ATOM 401 OE1 GLU A 29 5.517 -4.747 -9.324 1.00 0.00 O ATOM 402 OE2 GLU A 29 6.178 -6.813 -9.697 1.00 0.00 O ATOM 0 H GLU A 29 6.557 -3.394 -9.497 1.00 0.00 H new ATOM 0 HA GLU A 29 8.295 -2.873 -11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.329 -3.591 -11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.372 -3.792 -12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.511 -5.928 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.841 -5.221 -11.202 1.00 0.00 H new ATOM 409 N ASP A 30 5.588 -0.998 -11.589 1.00 0.00 N ATOM 410 CA ASP A 30 5.005 0.286 -11.859 1.00 0.00 C ATOM 411 C ASP A 30 4.678 0.946 -10.519 1.00 0.00 C ATOM 412 O ASP A 30 5.349 1.880 -10.093 1.00 0.00 O ATOM 413 CB ASP A 30 3.767 0.062 -12.728 1.00 0.00 C ATOM 414 CG ASP A 30 3.029 1.371 -12.795 1.00 0.00 C ATOM 415 OD1 ASP A 30 3.509 2.326 -13.434 1.00 0.00 O ATOM 416 OD2 ASP A 30 2.109 1.549 -11.978 1.00 0.00 O ATOM 0 H ASP A 30 4.928 -1.652 -11.169 1.00 0.00 H new ATOM 0 HA ASP A 30 5.679 0.951 -12.400 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.052 -0.270 -13.726 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.133 -0.716 -12.302 1.00 0.00 H new ATOM 421 N GLN A 31 3.633 0.454 -9.855 1.00 0.00 N ATOM 422 CA GLN A 31 3.131 1.037 -8.618 1.00 0.00 C ATOM 423 C GLN A 31 4.146 0.875 -7.485 1.00 0.00 C ATOM 424 O GLN A 31 5.101 0.095 -7.567 1.00 0.00 O ATOM 425 CB GLN A 31 1.767 0.436 -8.231 1.00 0.00 C ATOM 426 CG GLN A 31 1.768 -1.088 -8.392 1.00 0.00 C ATOM 427 CD GLN A 31 0.724 -1.824 -7.555 1.00 0.00 C ATOM 428 OE1 GLN A 31 -0.239 -1.244 -7.071 1.00 0.00 O ATOM 429 NE2 GLN A 31 0.887 -3.137 -7.396 1.00 0.00 N ATOM 0 H GLN A 31 3.110 -0.365 -10.164 1.00 0.00 H new ATOM 0 HA GLN A 31 2.985 2.104 -8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.532 0.695 -7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.985 0.870 -8.854 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.605 -1.328 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.756 -1.466 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.696 -3.604 -7.806 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.203 -3.675 -6.864 1.00 0.00 H new ATOM 438 N TYR A 32 3.899 1.603 -6.400 1.00 0.00 N ATOM 439 CA TYR A 32 4.615 1.389 -5.162 1.00 0.00 C ATOM 440 C TYR A 32 4.019 0.178 -4.445 1.00 0.00 C ATOM 441 O TYR A 32 2.901 -0.239 -4.741 1.00 0.00 O ATOM 442 CB TYR A 32 4.518 2.643 -4.282 1.00 0.00 C ATOM 443 CG TYR A 32 4.923 3.965 -4.917 1.00 0.00 C ATOM 444 CD1 TYR A 32 6.024 4.064 -5.792 1.00 0.00 C ATOM 445 CD2 TYR A 32 4.215 5.128 -4.567 1.00 0.00 C ATOM 446 CE1 TYR A 32 6.370 5.309 -6.352 1.00 0.00 C ATOM 447 CE2 TYR A 32 4.562 6.370 -5.124 1.00 0.00 C ATOM 448 CZ TYR A 32 5.624 6.459 -6.035 1.00 0.00 C ATOM 449 OH TYR A 32 5.903 7.653 -6.634 1.00 0.00 O ATOM 0 H TYR A 32 3.204 2.348 -6.361 1.00 0.00 H new ATOM 0 HA TYR A 32 5.668 1.197 -5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.489 2.735 -3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.139 2.487 -3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.603 3.184 -6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.397 5.066 -3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.210 5.381 -7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.010 7.257 -4.850 1.00 0.00 H new ATOM 0 HH TYR A 32 5.289 8.339 -6.298 1.00 0.00 H new ATOM 459 N TYR A 33 4.780 -0.386 -3.511 1.00 0.00 N ATOM 460 CA TYR A 33 4.336 -1.413 -2.583 1.00 0.00 C ATOM 461 C TYR A 33 4.670 -0.929 -1.176 1.00 0.00 C ATOM 462 O TYR A 33 5.419 0.030 -1.001 1.00 0.00 O ATOM 463 CB TYR A 33 5.060 -2.742 -2.818 1.00 0.00 C ATOM 464 CG TYR A 33 4.791 -3.376 -4.169 1.00 0.00 C ATOM 465 CD1 TYR A 33 5.108 -2.693 -5.353 1.00 0.00 C ATOM 466 CD2 TYR A 33 4.068 -4.579 -4.244 1.00 0.00 C ATOM 467 CE1 TYR A 33 4.563 -3.111 -6.576 1.00 0.00 C ATOM 468 CE2 TYR A 33 3.538 -5.012 -5.467 1.00 0.00 C ATOM 469 CZ TYR A 33 3.784 -4.273 -6.632 1.00 0.00 C ATOM 470 OH TYR A 33 3.410 -4.791 -7.837 1.00 0.00 O ATOM 0 H TYR A 33 5.758 -0.128 -3.378 1.00 0.00 H new ATOM 0 HA TYR A 33 3.268 -1.580 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.133 -2.580 -2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.767 -3.444 -2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.774 -1.843 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.920 -5.173 -3.354 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.744 -2.537 -7.473 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.942 -5.912 -5.511 1.00 0.00 H new ATOM 0 HH TYR A 33 4.023 -4.475 -8.533 1.00 0.00 H new ATOM 480 N ILE A 34 4.151 -1.633 -0.177 1.00 0.00 N ATOM 481 CA ILE A 34 4.316 -1.330 1.238 1.00 0.00 C ATOM 482 C ILE A 34 4.673 -2.641 1.926 1.00 0.00 C ATOM 483 O ILE A 34 3.964 -3.620 1.715 1.00 0.00 O ATOM 484 CB ILE A 34 2.974 -0.817 1.799 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.576 0.536 1.192 1.00 0.00 C ATOM 486 CG2 ILE A 34 3.020 -0.665 3.326 1.00 0.00 C ATOM 487 CD1 ILE A 34 1.103 0.585 0.803 1.00 0.00 C ATOM 0 H ILE A 34 3.581 -2.464 -0.338 1.00 0.00 H new ATOM 0 HA ILE A 34 5.085 -0.574 1.398 1.00 0.00 H new ATOM 0 HB ILE A 34 2.232 -1.567 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.787 1.329 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.189 0.731 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.057 -0.302 3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.236 -1.631 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.800 0.046 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.871 1.562 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.896 -0.190 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.487 0.418 1.687 1.00 0.00 H new ATOM 499 N ASP A 35 5.716 -2.690 2.759 1.00 0.00 N ATOM 500 CA ASP A 35 5.916 -3.837 3.634 1.00 0.00 C ATOM 501 C ASP A 35 4.851 -3.796 4.742 1.00 0.00 C ATOM 502 O ASP A 35 4.919 -2.900 5.590 1.00 0.00 O ATOM 503 CB ASP A 35 7.330 -3.839 4.219 1.00 0.00 C ATOM 504 CG ASP A 35 7.570 -5.032 5.144 1.00 0.00 C ATOM 505 OD1 ASP A 35 6.644 -5.369 5.918 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.679 -5.599 5.065 1.00 0.00 O ATOM 0 H ASP A 35 6.422 -1.959 2.842 1.00 0.00 H new ATOM 0 HA ASP A 35 5.809 -4.760 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.057 -3.859 3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.494 -2.914 4.772 1.00 0.00 H new ATOM 511 N PRO A 36 3.867 -4.716 4.771 1.00 0.00 N ATOM 512 CA PRO A 36 2.779 -4.626 5.728 1.00 0.00 C ATOM 513 C PRO A 36 3.188 -5.033 7.138 1.00 0.00 C ATOM 514 O PRO A 36 2.420 -4.818 8.069 1.00 0.00 O ATOM 515 CB PRO A 36 1.696 -5.598 5.258 1.00 0.00 C ATOM 516 CG PRO A 36 2.145 -6.043 3.861 1.00 0.00 C ATOM 517 CD PRO A 36 3.662 -5.875 3.913 1.00 0.00 C ATOM 0 HA PRO A 36 2.446 -3.589 5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.608 -6.448 5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.719 -5.115 5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.861 -7.075 3.656 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.698 -5.428 3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.147 -6.762 4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.078 -5.713 2.919 1.00 0.00 H new ATOM 525 N ASP A 37 4.324 -5.711 7.287 1.00 0.00 N ATOM 526 CA ASP A 37 4.741 -6.327 8.513 1.00 0.00 C ATOM 527 C ASP A 37 5.693 -5.368 9.233 1.00 0.00 C ATOM 528 O ASP A 37 5.753 -5.354 10.462 1.00 0.00 O ATOM 529 CB ASP A 37 5.313 -7.677 8.122 1.00 0.00 C ATOM 530 CG ASP A 37 4.249 -8.709 7.728 1.00 0.00 C ATOM 531 OD1 ASP A 37 3.052 -8.523 8.040 1.00 0.00 O ATOM 532 OD2 ASP A 37 4.591 -9.691 7.036 1.00 0.00 O ATOM 0 H ASP A 37 4.990 -5.842 6.525 1.00 0.00 H new ATOM 0 HA ASP A 37 3.946 -6.514 9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.001 -7.542 7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.896 -8.070 8.955 1.00 0.00 H new ATOM 537 N VAL A 38 6.381 -4.510 8.472 1.00 0.00 N ATOM 538 CA VAL A 38 6.993 -3.294 8.982 1.00 0.00 C ATOM 539 C VAL A 38 5.904 -2.269 9.310 1.00 0.00 C ATOM 540 O VAL A 38 5.944 -1.664 10.382 1.00 0.00 O ATOM 541 CB VAL A 38 7.998 -2.738 7.960 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.429 -1.312 8.322 1.00 0.00 C ATOM 543 CG2 VAL A 38 9.234 -3.642 7.884 1.00 0.00 C ATOM 0 H VAL A 38 6.526 -4.649 7.472 1.00 0.00 H new ATOM 0 HA VAL A 38 7.540 -3.517 9.898 1.00 0.00 H new ATOM 0 HB VAL A 38 7.503 -2.714 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.140 -0.947 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.555 -0.661 8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.899 -1.313 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.937 -3.236 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.711 -3.689 8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.934 -4.644 7.578 1.00 0.00 H new ATOM 553 N CYS A 39 4.961 -2.025 8.387 1.00 0.00 N ATOM 554 CA CYS A 39 3.858 -1.106 8.647 1.00 0.00 C ATOM 555 C CYS A 39 3.135 -1.494 9.944 1.00 0.00 C ATOM 556 O CYS A 39 2.909 -2.669 10.224 1.00 0.00 O ATOM 557 CB CYS A 39 2.897 -1.130 7.495 1.00 0.00 C ATOM 558 SG CYS A 39 1.348 -0.219 7.761 1.00 0.00 S ATOM 0 H CYS A 39 4.946 -2.452 7.461 1.00 0.00 H new ATOM 0 HA CYS A 39 4.257 -0.098 8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.396 -0.718 6.618 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.655 -2.168 7.266 1.00 0.00 H new ATOM 0 HG CYS A 39 0.699 -0.129 6.638 1.00 0.00 H new ATOM 563 N ILE A 40 2.788 -0.494 10.753 1.00 0.00 N ATOM 564 CA ILE A 40 2.306 -0.689 12.113 1.00 0.00 C ATOM 565 C ILE A 40 0.777 -0.639 12.221 1.00 0.00 C ATOM 566 O ILE A 40 0.274 -0.371 13.308 1.00 0.00 O ATOM 567 CB ILE A 40 2.996 0.336 13.034 1.00 0.00 C ATOM 568 CG1 ILE A 40 2.747 1.809 12.657 1.00 0.00 C ATOM 569 CG2 ILE A 40 4.507 0.064 13.083 1.00 0.00 C ATOM 570 CD1 ILE A 40 1.752 2.467 13.615 1.00 0.00 C ATOM 0 H ILE A 40 2.836 0.486 10.475 1.00 0.00 H new ATOM 0 HA ILE A 40 2.570 -1.696 12.435 1.00 0.00 H new ATOM 0 HB ILE A 40 2.543 0.198 14.016 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.690 2.356 12.676 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.366 1.866 11.637 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.987 0.793 13.736 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.684 -0.940 13.468 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.924 0.146 12.079 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.598 3.506 13.322 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.802 1.934 13.576 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.146 2.431 14.630 1.00 0.00 H new ATOM 582 N ASP A 41 0.035 -0.884 11.130 1.00 0.00 N ATOM 583 CA ASP A 41 -1.402 -0.594 11.065 1.00 0.00 C ATOM 584 C ASP A 41 -1.712 0.824 11.553 1.00 0.00 C ATOM 585 O ASP A 41 -2.210 1.019 12.661 1.00 0.00 O ATOM 586 CB ASP A 41 -2.244 -1.647 11.804 1.00 0.00 C ATOM 587 CG ASP A 41 -2.411 -2.908 10.987 1.00 0.00 C ATOM 588 OD1 ASP A 41 -2.900 -2.823 9.836 1.00 0.00 O ATOM 589 OD2 ASP A 41 -2.007 -3.993 11.438 1.00 0.00 O ATOM 0 H ASP A 41 0.414 -1.287 10.273 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.687 -0.648 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.769 -1.890 12.754 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.225 -1.231 12.035 1.00 0.00 H new ATOM 594 N CYS A 42 -1.440 1.816 10.699 1.00 0.00 N ATOM 595 CA CYS A 42 -1.721 3.219 10.972 1.00 0.00 C ATOM 596 C CYS A 42 -2.628 3.787 9.873 1.00 0.00 C ATOM 597 O CYS A 42 -2.918 3.091 8.904 1.00 0.00 O ATOM 598 CB CYS A 42 -0.428 3.971 11.190 1.00 0.00 C ATOM 599 SG CYS A 42 0.210 5.011 9.857 1.00 0.00 S ATOM 0 H CYS A 42 -1.012 1.659 9.787 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.280 3.336 11.901 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.558 4.603 12.068 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.342 3.239 11.435 1.00 0.00 H new ATOM 0 HG CYS A 42 1.320 5.570 10.237 1.00 0.00 H new ATOM 604 N GLY A 43 -3.120 5.019 10.046 1.00 0.00 N ATOM 605 CA GLY A 43 -4.153 5.600 9.184 1.00 0.00 C ATOM 606 C GLY A 43 -3.670 6.804 8.371 1.00 0.00 C ATOM 607 O GLY A 43 -4.469 7.474 7.718 1.00 0.00 O ATOM 0 H GLY A 43 -2.811 5.643 10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.517 4.833 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.999 5.905 9.800 1.00 0.00 H new ATOM 611 N ALA A 44 -2.370 7.113 8.410 1.00 0.00 N ATOM 612 CA ALA A 44 -1.848 8.312 7.765 1.00 0.00 C ATOM 613 C ALA A 44 -1.952 8.190 6.242 1.00 0.00 C ATOM 614 O ALA A 44 -2.653 8.959 5.582 1.00 0.00 O ATOM 615 CB ALA A 44 -0.406 8.560 8.221 1.00 0.00 C ATOM 0 H ALA A 44 -1.664 6.547 8.882 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.447 9.173 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.020 9.457 7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.384 8.694 9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.214 7.706 7.949 1.00 0.00 H new ATOM 621 N CYS A 45 -1.242 7.203 5.691 1.00 0.00 N ATOM 622 CA CYS A 45 -1.208 6.944 4.262 1.00 0.00 C ATOM 623 C CYS A 45 -2.620 6.653 3.731 1.00 0.00 C ATOM 624 O CYS A 45 -3.025 7.221 2.721 1.00 0.00 O ATOM 625 CB CYS A 45 -0.198 5.863 3.962 1.00 0.00 C ATOM 626 SG CYS A 45 -0.596 4.211 4.582 1.00 0.00 S ATOM 0 H CYS A 45 -0.670 6.558 6.236 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.874 7.832 3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.070 5.803 2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.762 6.165 4.380 1.00 0.00 H new ATOM 0 HG CYS A 45 0.351 3.384 4.253 1.00 0.00 H new ATOM 631 N GLU A 46 -3.394 5.838 4.458 1.00 0.00 N ATOM 632 CA GLU A 46 -4.805 5.567 4.190 1.00 0.00 C ATOM 633 C GLU A 46 -5.568 6.854 3.856 1.00 0.00 C ATOM 634 O GLU A 46 -6.252 6.931 2.836 1.00 0.00 O ATOM 635 CB GLU A 46 -5.415 4.887 5.424 1.00 0.00 C ATOM 636 CG GLU A 46 -6.889 4.487 5.249 1.00 0.00 C ATOM 637 CD GLU A 46 -7.456 3.900 6.536 1.00 0.00 C ATOM 638 OE1 GLU A 46 -6.946 4.265 7.615 1.00 0.00 O ATOM 639 OE2 GLU A 46 -8.360 3.041 6.438 1.00 0.00 O ATOM 0 H GLU A 46 -3.042 5.336 5.273 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.884 4.911 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.833 3.997 5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.330 5.560 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.473 5.359 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.978 3.758 4.443 1.00 0.00 H new ATOM 646 N ALA A 47 -5.475 7.857 4.737 1.00 0.00 N ATOM 647 CA ALA A 47 -6.200 9.105 4.565 1.00 0.00 C ATOM 648 C ALA A 47 -5.735 9.843 3.310 1.00 0.00 C ATOM 649 O ALA A 47 -6.556 10.354 2.551 1.00 0.00 O ATOM 650 CB ALA A 47 -6.034 9.978 5.812 1.00 0.00 C ATOM 0 H ALA A 47 -4.899 7.820 5.578 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.258 8.879 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.579 10.912 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.427 9.450 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.977 10.194 5.967 1.00 0.00 H new ATOM 656 N VAL A 48 -4.417 9.952 3.118 1.00 0.00 N ATOM 657 CA VAL A 48 -3.851 10.762 2.058 1.00 0.00 C ATOM 658 C VAL A 48 -4.030 10.137 0.668 1.00 0.00 C ATOM 659 O VAL A 48 -4.242 10.861 -0.304 1.00 0.00 O ATOM 660 CB VAL A 48 -2.394 11.099 2.416 1.00 0.00 C ATOM 661 CG1 VAL A 48 -1.347 10.172 1.787 1.00 0.00 C ATOM 662 CG2 VAL A 48 -2.119 12.554 2.055 1.00 0.00 C ATOM 0 H VAL A 48 -3.722 9.479 3.696 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.403 11.699 1.985 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.291 10.939 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.350 10.487 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.523 9.148 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.423 10.221 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.088 12.802 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.278 12.700 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.794 13.202 2.614 1.00 0.00 H new ATOM 672 N CYS A 49 -3.912 8.811 0.557 1.00 0.00 N ATOM 673 CA CYS A 49 -3.974 8.117 -0.723 1.00 0.00 C ATOM 674 C CYS A 49 -5.334 8.373 -1.399 1.00 0.00 C ATOM 675 O CYS A 49 -6.368 8.197 -0.751 1.00 0.00 O ATOM 676 CB CYS A 49 -3.761 6.641 -0.511 1.00 0.00 C ATOM 677 SG CYS A 49 -3.796 5.665 -2.024 1.00 0.00 S ATOM 0 H CYS A 49 -3.771 8.192 1.355 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.188 8.497 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.801 6.491 -0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.529 6.268 0.166 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.657 5.058 -2.175 1.00 0.00 H new ATOM 682 N PRO A 50 -5.382 8.796 -2.677 1.00 0.00 N ATOM 683 CA PRO A 50 -6.634 8.998 -3.387 1.00 0.00 C ATOM 684 C PRO A 50 -7.555 7.777 -3.279 1.00 0.00 C ATOM 685 O PRO A 50 -7.205 6.679 -3.708 1.00 0.00 O ATOM 686 CB PRO A 50 -6.253 9.298 -4.840 1.00 0.00 C ATOM 687 CG PRO A 50 -4.855 9.902 -4.716 1.00 0.00 C ATOM 688 CD PRO A 50 -4.258 9.152 -3.526 1.00 0.00 C ATOM 0 HA PRO A 50 -7.201 9.821 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.249 8.395 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.952 9.993 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.269 9.751 -5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.894 10.976 -4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.719 8.263 -3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.545 9.777 -2.988 1.00 0.00 H new ATOM 696 N VAL A 51 -8.740 7.976 -2.692 1.00 0.00 N ATOM 697 CA VAL A 51 -9.750 6.938 -2.499 1.00 0.00 C ATOM 698 C VAL A 51 -9.205 5.776 -1.645 1.00 0.00 C ATOM 699 O VAL A 51 -9.752 4.674 -1.672 1.00 0.00 O ATOM 700 CB VAL A 51 -10.331 6.474 -3.859 1.00 0.00 C ATOM 701 CG1 VAL A 51 -11.746 5.897 -3.697 1.00 0.00 C ATOM 702 CG2 VAL A 51 -10.430 7.616 -4.885 1.00 0.00 C ATOM 0 H VAL A 51 -9.027 8.886 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.580 7.363 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.636 5.715 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.124 5.581 -4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.715 5.040 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.405 6.660 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.843 7.232 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.080 8.400 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.437 8.026 -5.070 1.00 0.00 H new ATOM 712 N SER A 52 -8.142 6.019 -0.870 1.00 0.00 N ATOM 713 CA SER A 52 -7.481 5.021 -0.046 1.00 0.00 C ATOM 714 C SER A 52 -7.196 3.745 -0.838 1.00 0.00 C ATOM 715 O SER A 52 -7.576 2.659 -0.411 1.00 0.00 O ATOM 716 CB SER A 52 -8.303 4.755 1.217 1.00 0.00 C ATOM 717 OG SER A 52 -8.654 5.979 1.837 1.00 0.00 O ATOM 0 H SER A 52 -7.712 6.942 -0.802 1.00 0.00 H new ATOM 0 HA SER A 52 -6.511 5.408 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.204 4.196 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.730 4.139 1.910 1.00 0.00 H new ATOM 0 HG SER A 52 -7.851 6.398 2.211 1.00 0.00 H new ATOM 723 N ALA A 53 -6.515 3.857 -1.983 1.00 0.00 N ATOM 724 CA ALA A 53 -6.061 2.681 -2.724 1.00 0.00 C ATOM 725 C ALA A 53 -5.227 1.772 -1.813 1.00 0.00 C ATOM 726 O ALA A 53 -5.256 0.547 -1.941 1.00 0.00 O ATOM 727 CB ALA A 53 -5.273 3.087 -3.974 1.00 0.00 C ATOM 0 H ALA A 53 -6.268 4.748 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.936 2.123 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.948 2.193 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.909 3.686 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.401 3.672 -3.681 1.00 0.00 H new ATOM 733 N ILE A 54 -4.503 2.375 -0.867 1.00 0.00 N ATOM 734 CA ILE A 54 -3.939 1.666 0.266 1.00 0.00 C ATOM 735 C ILE A 54 -5.087 1.209 1.178 1.00 0.00 C ATOM 736 O ILE A 54 -5.680 2.026 1.880 1.00 0.00 O ATOM 737 CB ILE A 54 -2.921 2.563 0.994 1.00 0.00 C ATOM 738 CG1 ILE A 54 -1.745 2.865 0.053 1.00 0.00 C ATOM 739 CG2 ILE A 54 -2.438 1.846 2.264 1.00 0.00 C ATOM 740 CD1 ILE A 54 -0.800 3.953 0.580 1.00 0.00 C ATOM 0 H ILE A 54 -4.295 3.374 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.395 0.780 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.385 3.507 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.176 1.949 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.136 3.174 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.717 2.475 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.288 1.651 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.966 0.902 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.006 4.113 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.354 4.882 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.379 3.638 1.535 1.00 0.00 H new ATOM 752 N TYR A 55 -5.389 -0.093 1.170 1.00 0.00 N ATOM 753 CA TYR A 55 -6.438 -0.717 1.964 1.00 0.00 C ATOM 754 C TYR A 55 -5.856 -1.762 2.907 1.00 0.00 C ATOM 755 O TYR A 55 -4.782 -2.311 2.676 1.00 0.00 O ATOM 756 CB TYR A 55 -7.493 -1.347 1.057 1.00 0.00 C ATOM 757 CG TYR A 55 -8.409 -0.387 0.324 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.291 0.441 1.046 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.476 -0.416 -1.081 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.181 1.288 0.361 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.376 0.419 -1.764 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.180 1.315 -1.044 1.00 0.00 C ATOM 763 OH TYR A 55 -10.965 2.204 -1.713 1.00 0.00 O ATOM 0 H TYR A 55 -4.887 -0.762 0.586 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.914 0.058 2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.984 -1.965 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.109 -2.014 1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.284 0.425 2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.833 -1.083 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.864 1.916 0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.449 0.371 -2.840 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.485 3.053 -1.814 1.00 0.00 H new ATOM 773 N HIS A 56 -6.568 -2.039 3.997 1.00 0.00 N ATOM 774 CA HIS A 56 -6.083 -2.952 5.009 1.00 0.00 C ATOM 775 C HIS A 56 -6.140 -4.390 4.499 1.00 0.00 C ATOM 776 O HIS A 56 -7.105 -4.769 3.839 1.00 0.00 O ATOM 777 CB HIS A 56 -6.920 -2.766 6.275 1.00 0.00 C ATOM 778 CG HIS A 56 -6.495 -3.697 7.379 1.00 0.00 C ATOM 779 ND1 HIS A 56 -7.052 -4.927 7.654 1.00 0.00 N ATOM 780 CD2 HIS A 56 -5.304 -3.626 8.048 1.00 0.00 C ATOM 781 CE1 HIS A 56 -6.197 -5.585 8.458 1.00 0.00 C ATOM 782 NE2 HIS A 56 -5.113 -4.837 8.721 1.00 0.00 N ATOM 0 H HIS A 56 -7.485 -1.639 4.195 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.040 -2.738 5.242 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.833 -1.735 6.618 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.971 -2.937 6.042 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.948 -5.275 7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.629 -2.783 8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.361 -6.582 8.841 1.00 0.00 H new ATOM 790 N GLU A 57 -5.122 -5.193 4.813 1.00 0.00 N ATOM 791 CA GLU A 57 -4.885 -6.482 4.194 1.00 0.00 C ATOM 792 C GLU A 57 -6.065 -7.449 4.167 1.00 0.00 C ATOM 793 O GLU A 57 -6.128 -8.275 3.259 1.00 0.00 O ATOM 794 CB GLU A 57 -3.672 -7.119 4.871 1.00 0.00 C ATOM 795 CG GLU A 57 -3.780 -7.340 6.373 1.00 0.00 C ATOM 796 CD GLU A 57 -2.469 -7.905 6.888 1.00 0.00 C ATOM 797 OE1 GLU A 57 -2.109 -9.028 6.483 1.00 0.00 O ATOM 798 OE2 GLU A 57 -1.767 -7.182 7.622 1.00 0.00 O ATOM 0 H GLU A 57 -4.429 -4.953 5.521 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.708 -6.282 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.481 -8.081 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.803 -6.490 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.008 -6.400 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.598 -8.026 6.594 1.00 0.00 H new ATOM 805 N ASP A 58 -6.978 -7.374 5.140 1.00 0.00 N ATOM 806 CA ASP A 58 -8.137 -8.248 5.182 1.00 0.00 C ATOM 807 C ASP A 58 -9.365 -7.627 4.516 1.00 0.00 C ATOM 808 O ASP A 58 -10.143 -8.346 3.886 1.00 0.00 O ATOM 809 CB ASP A 58 -8.430 -8.685 6.612 1.00 0.00 C ATOM 810 CG ASP A 58 -9.388 -9.872 6.605 1.00 0.00 C ATOM 811 OD1 ASP A 58 -9.153 -10.792 5.784 1.00 0.00 O ATOM 812 OD2 ASP A 58 -10.348 -9.829 7.399 1.00 0.00 O ATOM 0 H ASP A 58 -6.929 -6.709 5.912 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.894 -9.136 4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.503 -8.958 7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.866 -7.858 7.172 1.00 0.00 H new ATOM 817 N PHE A 59 -9.518 -6.298 4.639 1.00 0.00 N ATOM 818 CA PHE A 59 -10.532 -5.509 3.970 1.00 0.00 C ATOM 819 C PHE A 59 -10.336 -5.642 2.465 1.00 0.00 C ATOM 820 O PHE A 59 -11.292 -5.689 1.695 1.00 0.00 O ATOM 821 CB PHE A 59 -10.336 -4.043 4.359 1.00 0.00 C ATOM 822 CG PHE A 59 -10.750 -3.586 5.746 1.00 0.00 C ATOM 823 CD1 PHE A 59 -10.964 -4.494 6.801 1.00 0.00 C ATOM 824 CD2 PHE A 59 -10.874 -2.203 5.984 1.00 0.00 C ATOM 825 CE1 PHE A 59 -11.269 -4.018 8.089 1.00 0.00 C ATOM 826 CE2 PHE A 59 -11.185 -1.729 7.269 1.00 0.00 C ATOM 827 CZ PHE A 59 -11.374 -2.636 8.324 1.00 0.00 C ATOM 0 H PHE A 59 -8.909 -5.735 5.233 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.528 -5.849 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.278 -3.810 4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -10.881 -3.436 3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -10.894 -5.557 6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -10.729 -1.504 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -11.423 -4.716 8.899 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -11.279 -0.668 7.445 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.600 -2.272 9.315 1.00 0.00 H new ATOM 837 N VAL A 60 -9.064 -5.662 2.067 1.00 0.00 N ATOM 838 CA VAL A 60 -8.626 -5.962 0.723 1.00 0.00 C ATOM 839 C VAL A 60 -9.400 -7.172 0.181 1.00 0.00 C ATOM 840 O VAL A 60 -9.436 -8.211 0.845 1.00 0.00 O ATOM 841 CB VAL A 60 -7.101 -6.158 0.762 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.590 -7.136 -0.294 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.518 -4.781 0.508 1.00 0.00 C ATOM 0 H VAL A 60 -8.291 -5.461 2.701 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.838 -5.148 0.030 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.806 -6.586 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.507 -7.228 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.050 -8.112 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.848 -6.767 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.430 -4.839 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.851 -4.419 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.854 -4.095 1.285 1.00 0.00 H new ATOM 853 N PRO A 61 -10.029 -7.049 -1.003 1.00 0.00 N ATOM 854 CA PRO A 61 -10.745 -8.152 -1.619 1.00 0.00 C ATOM 855 C PRO A 61 -9.827 -9.365 -1.740 1.00 0.00 C ATOM 856 O PRO A 61 -8.644 -9.206 -2.021 1.00 0.00 O ATOM 857 CB PRO A 61 -11.182 -7.677 -3.009 1.00 0.00 C ATOM 858 CG PRO A 61 -10.963 -6.164 -3.020 1.00 0.00 C ATOM 859 CD PRO A 61 -10.033 -5.863 -1.844 1.00 0.00 C ATOM 0 HA PRO A 61 -11.607 -8.445 -1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.597 -8.162 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.228 -7.922 -3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.518 -5.841 -3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.909 -5.632 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.027 -5.633 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.382 -4.994 -1.286 1.00 0.00 H new ATOM 867 N GLU A 62 -10.367 -10.570 -1.575 1.00 0.00 N ATOM 868 CA GLU A 62 -9.674 -11.828 -1.645 1.00 0.00 C ATOM 869 C GLU A 62 -8.781 -11.929 -2.882 1.00 0.00 C ATOM 870 O GLU A 62 -7.608 -12.277 -2.779 1.00 0.00 O ATOM 871 CB GLU A 62 -10.800 -12.844 -1.596 1.00 0.00 C ATOM 872 CG GLU A 62 -11.301 -12.948 -0.144 1.00 0.00 C ATOM 873 CD GLU A 62 -10.332 -13.665 0.786 1.00 0.00 C ATOM 874 OE1 GLU A 62 -9.730 -14.662 0.336 1.00 0.00 O ATOM 875 OE2 GLU A 62 -10.188 -13.172 1.928 1.00 0.00 O ATOM 0 H GLU A 62 -11.361 -10.687 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.962 -11.983 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.613 -12.541 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.450 -13.815 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.485 -11.945 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.256 -13.473 -0.135 1.00 0.00 H new ATOM 882 N GLU A 63 -9.339 -11.539 -4.029 1.00 0.00 N ATOM 883 CA GLU A 63 -8.625 -11.277 -5.279 1.00 0.00 C ATOM 884 C GLU A 63 -7.266 -10.619 -4.965 1.00 0.00 C ATOM 885 O GLU A 63 -6.190 -11.186 -5.159 1.00 0.00 O ATOM 886 CB GLU A 63 -9.528 -10.408 -6.175 1.00 0.00 C ATOM 887 CG GLU A 63 -9.440 -10.631 -7.695 1.00 0.00 C ATOM 888 CD GLU A 63 -8.090 -10.299 -8.311 1.00 0.00 C ATOM 889 OE1 GLU A 63 -7.118 -10.993 -7.955 1.00 0.00 O ATOM 890 OE2 GLU A 63 -8.054 -9.348 -9.124 1.00 0.00 O ATOM 0 H GLU A 63 -10.344 -11.391 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.406 -12.198 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.562 -10.570 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.296 -9.362 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.675 -11.674 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.205 -10.025 -8.182 1.00 0.00 H new ATOM 897 N TRP A 64 -7.327 -9.431 -4.363 1.00 0.00 N ATOM 898 CA TRP A 64 -6.183 -8.573 -4.093 1.00 0.00 C ATOM 899 C TRP A 64 -5.454 -8.945 -2.807 1.00 0.00 C ATOM 900 O TRP A 64 -4.318 -8.531 -2.598 1.00 0.00 O ATOM 901 CB TRP A 64 -6.627 -7.108 -4.231 1.00 0.00 C ATOM 902 CG TRP A 64 -7.153 -6.797 -5.610 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.928 -7.565 -6.703 1.00 0.00 C ATOM 904 CD2 TRP A 64 -8.074 -5.752 -6.064 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.708 -7.145 -7.746 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.429 -6.025 -7.421 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.672 -4.618 -5.471 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -9.343 -5.248 -8.139 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.552 -3.796 -6.203 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.896 -4.117 -7.528 1.00 0.00 C ATOM 0 H TRP A 64 -8.207 -9.029 -4.040 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.402 -8.729 -4.837 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.400 -6.894 -3.493 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.784 -6.453 -4.010 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.233 -8.390 -6.745 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.748 -7.608 -8.654 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.452 -4.377 -4.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.618 -5.516 -9.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.966 -2.911 -5.742 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.587 -3.491 -8.074 1.00 0.00 H new ATOM 921 N LYS A 65 -6.013 -9.848 -2.011 1.00 0.00 N ATOM 922 CA LYS A 65 -5.271 -10.526 -0.960 1.00 0.00 C ATOM 923 C LYS A 65 -4.035 -11.225 -1.571 1.00 0.00 C ATOM 924 O LYS A 65 -2.999 -11.357 -0.914 1.00 0.00 O ATOM 925 CB LYS A 65 -6.229 -11.425 -0.152 1.00 0.00 C ATOM 926 CG LYS A 65 -5.930 -11.427 1.356 1.00 0.00 C ATOM 927 CD LYS A 65 -7.147 -11.860 2.198 1.00 0.00 C ATOM 928 CE LYS A 65 -8.248 -10.777 2.228 1.00 0.00 C ATOM 929 NZ LYS A 65 -9.326 -11.052 3.201 1.00 0.00 N ATOM 0 H LYS A 65 -6.991 -10.129 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.863 -9.827 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.254 -11.089 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.165 -12.445 -0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.096 -12.099 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.617 -10.429 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.559 -12.784 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.824 -12.076 3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.793 -9.815 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.683 -10.686 1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.955 -10.226 3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.873 -11.880 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.910 -11.244 4.135 1.00 0.00 H new ATOM 943 N SER A 66 -4.089 -11.570 -2.867 1.00 0.00 N ATOM 944 CA SER A 66 -2.913 -11.941 -3.645 1.00 0.00 C ATOM 945 C SER A 66 -1.848 -10.832 -3.655 1.00 0.00 C ATOM 946 O SER A 66 -0.685 -11.091 -3.347 1.00 0.00 O ATOM 947 CB SER A 66 -3.325 -12.306 -5.076 1.00 0.00 C ATOM 948 OG SER A 66 -4.397 -13.225 -5.052 1.00 0.00 O ATOM 0 H SER A 66 -4.958 -11.597 -3.401 1.00 0.00 H new ATOM 0 HA SER A 66 -2.462 -12.810 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.618 -11.407 -5.619 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.477 -12.738 -5.608 1.00 0.00 H new ATOM 0 HG SER A 66 -5.246 -12.738 -5.097 1.00 0.00 H new ATOM 954 N TYR A 67 -2.221 -9.592 -4.001 1.00 0.00 N ATOM 955 CA TYR A 67 -1.290 -8.465 -3.988 1.00 0.00 C ATOM 956 C TYR A 67 -0.724 -8.267 -2.599 1.00 0.00 C ATOM 957 O TYR A 67 0.431 -7.881 -2.465 1.00 0.00 O ATOM 958 CB TYR A 67 -1.961 -7.134 -4.363 1.00 0.00 C ATOM 959 CG TYR A 67 -2.248 -6.913 -5.838 1.00 0.00 C ATOM 960 CD1 TYR A 67 -1.256 -7.133 -6.811 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.506 -6.422 -6.233 1.00 0.00 C ATOM 962 CE1 TYR A 67 -1.551 -6.942 -8.173 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.799 -6.232 -7.592 1.00 0.00 C ATOM 964 CZ TYR A 67 -2.828 -6.504 -8.566 1.00 0.00 C ATOM 965 OH TYR A 67 -3.100 -6.317 -9.887 1.00 0.00 O ATOM 0 H TYR A 67 -3.167 -9.348 -4.294 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.521 -8.713 -4.719 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.902 -7.060 -3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.325 -6.321 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.267 -7.449 -6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.250 -6.190 -5.486 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.794 -7.132 -8.919 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.774 -5.876 -7.888 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.787 -5.625 -9.985 1.00 0.00 H new ATOM 975 N ILE A 68 -1.525 -8.466 -1.559 1.00 0.00 N ATOM 976 CA ILE A 68 -1.025 -8.264 -0.223 1.00 0.00 C ATOM 977 C ILE A 68 0.091 -9.262 0.051 1.00 0.00 C ATOM 978 O ILE A 68 1.174 -8.900 0.514 1.00 0.00 O ATOM 979 CB ILE A 68 -2.206 -8.400 0.740 1.00 0.00 C ATOM 980 CG1 ILE A 68 -3.052 -7.122 0.807 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.789 -8.814 2.153 1.00 0.00 C ATOM 982 CD1 ILE A 68 -3.062 -6.227 -0.446 1.00 0.00 C ATOM 0 H ILE A 68 -2.500 -8.760 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.593 -7.272 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.814 -9.203 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.080 -7.407 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.699 -6.525 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.674 -8.892 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.283 -9.779 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.113 -8.066 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.696 -5.359 -0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.047 -5.896 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.450 -6.792 -1.294 1.00 0.00 H new ATOM 994 N GLN A 69 -0.162 -10.527 -0.278 1.00 0.00 N ATOM 995 CA GLN A 69 0.866 -11.540 -0.209 1.00 0.00 C ATOM 996 C GLN A 69 2.058 -11.150 -1.086 1.00 0.00 C ATOM 997 O GLN A 69 3.187 -11.358 -0.664 1.00 0.00 O ATOM 998 CB GLN A 69 0.254 -12.909 -0.517 1.00 0.00 C ATOM 999 CG GLN A 69 -0.127 -13.636 0.786 1.00 0.00 C ATOM 1000 CD GLN A 69 -0.867 -12.763 1.806 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.354 -12.478 2.889 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -2.070 -12.304 1.479 1.00 0.00 N ATOM 0 H GLN A 69 -1.071 -10.866 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 69 1.274 -11.616 0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.630 -12.786 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.964 -13.512 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.752 -14.494 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.780 -14.025 1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.482 -12.549 0.578 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.582 -11.707 2.128 1.00 0.00 H new ATOM 1011 N LYS A 70 1.841 -10.530 -2.251 1.00 0.00 N ATOM 1012 CA LYS A 70 2.923 -9.997 -3.078 1.00 0.00 C ATOM 1013 C LYS A 70 3.748 -8.938 -2.341 1.00 0.00 C ATOM 1014 O LYS A 70 4.968 -9.058 -2.271 1.00 0.00 O ATOM 1015 CB LYS A 70 2.369 -9.450 -4.403 1.00 0.00 C ATOM 1016 CG LYS A 70 3.464 -9.252 -5.459 1.00 0.00 C ATOM 1017 CD LYS A 70 2.823 -8.757 -6.765 1.00 0.00 C ATOM 1018 CE LYS A 70 3.863 -8.495 -7.861 1.00 0.00 C ATOM 1019 NZ LYS A 70 4.625 -7.253 -7.634 1.00 0.00 N ATOM 0 H LYS A 70 0.911 -10.385 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 70 3.601 -10.821 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.616 -10.137 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.869 -8.499 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.201 -8.531 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.993 -10.189 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.105 -9.497 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.266 -7.841 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.554 -9.337 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.361 -8.438 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.325 -7.132 -8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.974 -6.442 -7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.114 -7.308 -6.718 1.00 0.00 H new ATOM 1033 N ASN A 71 3.108 -7.895 -1.802 1.00 0.00 N ATOM 1034 CA ASN A 71 3.761 -6.912 -0.957 1.00 0.00 C ATOM 1035 C ASN A 71 4.554 -7.582 0.148 1.00 0.00 C ATOM 1036 O ASN A 71 5.685 -7.189 0.394 1.00 0.00 O ATOM 1037 CB ASN A 71 2.718 -5.974 -0.342 1.00 0.00 C ATOM 1038 CG ASN A 71 2.220 -4.902 -1.299 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.448 -3.713 -1.099 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.528 -5.304 -2.358 1.00 0.00 N ATOM 0 H ASN A 71 2.114 -7.715 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 71 4.449 -6.338 -1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.869 -6.565 0.002 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.148 -5.493 0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.174 -4.619 -3.026 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.351 -6.298 -2.504 1.00 0.00 H new ATOM 1047 N ARG A 72 4.007 -8.604 0.803 1.00 0.00 N ATOM 1048 CA ARG A 72 4.806 -9.358 1.745 1.00 0.00 C ATOM 1049 C ARG A 72 6.021 -9.969 1.031 1.00 0.00 C ATOM 1050 O ARG A 72 7.157 -9.747 1.443 1.00 0.00 O ATOM 1051 CB ARG A 72 3.932 -10.413 2.433 1.00 0.00 C ATOM 1052 CG ARG A 72 3.612 -9.946 3.853 1.00 0.00 C ATOM 1053 CD ARG A 72 2.620 -10.867 4.564 1.00 0.00 C ATOM 1054 NE ARG A 72 2.158 -10.213 5.801 1.00 0.00 N ATOM 1055 CZ ARG A 72 0.902 -9.804 6.058 1.00 0.00 C ATOM 1056 NH1 ARG A 72 -0.120 -10.236 5.313 1.00 0.00 N ATOM 1057 NH2 ARG A 72 0.659 -8.951 7.057 1.00 0.00 N ATOM 0 H ARG A 72 3.042 -8.917 0.699 1.00 0.00 H new ATOM 0 HA ARG A 72 5.192 -8.699 2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.011 -10.564 1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.450 -11.372 2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.534 -9.895 4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.203 -8.936 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.773 -11.082 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.093 -11.821 4.797 1.00 0.00 H new ATOM 0 HE ARG A 72 2.854 -10.056 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.048 -10.882 4.542 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.068 -9.920 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.428 -8.605 7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.296 -8.645 7.246 1.00 0.00 H new ATOM 1071 N ASP A 73 5.783 -10.723 -0.051 1.00 0.00 N ATOM 1072 CA ASP A 73 6.789 -11.503 -0.764 1.00 0.00 C ATOM 1073 C ASP A 73 7.993 -10.656 -1.132 1.00 0.00 C ATOM 1074 O ASP A 73 9.139 -11.064 -0.944 1.00 0.00 O ATOM 1075 CB ASP A 73 6.178 -12.115 -2.027 1.00 0.00 C ATOM 1076 CG ASP A 73 6.840 -13.437 -2.373 1.00 0.00 C ATOM 1077 OD1 ASP A 73 6.804 -14.345 -1.511 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.415 -13.517 -3.477 1.00 0.00 O ATOM 0 H ASP A 73 4.853 -10.806 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 73 7.128 -12.298 -0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.109 -12.268 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.288 -11.421 -2.860 1.00 0.00 H new ATOM 1083 N PHE A 74 7.684 -9.459 -1.624 1.00 0.00 N ATOM 1084 CA PHE A 74 8.629 -8.424 -1.996 1.00 0.00 C ATOM 1085 C PHE A 74 9.713 -8.201 -0.933 1.00 0.00 C ATOM 1086 O PHE A 74 10.860 -7.944 -1.291 1.00 0.00 O ATOM 1087 CB PHE A 74 7.830 -7.146 -2.291 1.00 0.00 C ATOM 1088 CG PHE A 74 7.429 -6.921 -3.741 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.360 -7.977 -4.674 1.00 0.00 C ATOM 1090 CD2 PHE A 74 7.320 -5.599 -4.198 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.401 -7.699 -6.054 1.00 0.00 C ATOM 1092 CE2 PHE A 74 7.365 -5.319 -5.570 1.00 0.00 C ATOM 1093 CZ PHE A 74 7.442 -6.366 -6.501 1.00 0.00 C ATOM 0 H PHE A 74 6.717 -9.176 -1.780 1.00 0.00 H new ATOM 0 HA PHE A 74 9.176 -8.734 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.925 -7.161 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.420 -6.290 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.276 -8.997 -4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.201 -4.793 -3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.401 -8.509 -6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.340 -4.295 -5.912 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.532 -6.149 -7.555 1.00 0.00 H new ATOM 1103 N PHE A 75 9.370 -8.308 0.355 1.00 0.00 N ATOM 1104 CA PHE A 75 10.316 -8.133 1.456 1.00 0.00 C ATOM 1105 C PHE A 75 10.611 -9.445 2.185 1.00 0.00 C ATOM 1106 O PHE A 75 11.198 -9.434 3.265 1.00 0.00 O ATOM 1107 CB PHE A 75 9.754 -7.095 2.426 1.00 0.00 C ATOM 1108 CG PHE A 75 9.566 -5.722 1.817 1.00 0.00 C ATOM 1109 CD1 PHE A 75 8.360 -5.425 1.167 1.00 0.00 C ATOM 1110 CD2 PHE A 75 10.529 -4.713 1.998 1.00 0.00 C ATOM 1111 CE1 PHE A 75 8.066 -4.111 0.781 1.00 0.00 C ATOM 1112 CE2 PHE A 75 10.229 -3.388 1.634 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.970 -3.081 1.087 1.00 0.00 C ATOM 0 H PHE A 75 8.421 -8.520 0.662 1.00 0.00 H new ATOM 0 HA PHE A 75 11.264 -7.789 1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.795 -7.448 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.423 -7.013 3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.653 -6.215 0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.495 -4.955 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.150 -3.892 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.963 -2.608 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.698 -2.052 0.902 1.00 0.00 H new