USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 764 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 41 MET CE :methyl 172:sc= -0.668 (180deg=-0.9) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 MET CE :methyl -125:sc= -30! (180deg=-30.3!) USER MOD Set 2.2: A 80 MET CE :methyl 147:sc= -22.5! (180deg=-27.9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -150:sc= -0.184 USER MOD Single : A 21 MET CE :methyl 127:sc= -19.3! (180deg=-20.9!) USER MOD Single : A 22 SER OG : rot 34:sc= -3.97! USER MOD Single : A 29 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 33 SER OG : rot 88:sc= -6.66! USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -0.0021 (180deg=-0.112) USER MOD Single : A 49 ASN : amide:sc= -6.49! C(o=-6.5!,f=-12!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -110:sc= 0.207 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -18.6! C(o=-20!,f=-19!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -26:sc= 0.629 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.685 (180deg=-1.35) USER MOD Single : A 83 HIS : no HD1:sc= -0.652 K(o=-0.65,f=-1.2) USER MOD Single : A 88 HIS : no HE2:sc= -24.5! C(o=-25!,f=-27!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 91 ASN : amide:sc= -0.455 K(o=-0.46,f=-3.1!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -65:sc= 1.07 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 4.654 10.948 -5.047 1.00 0.00 N ATOM 28 CA PRO A 14 5.956 10.823 -4.429 1.00 0.00 C ATOM 29 C PRO A 14 6.486 9.411 -4.635 1.00 0.00 C ATOM 30 O PRO A 14 7.648 9.134 -4.348 1.00 0.00 O ATOM 31 CB PRO A 14 5.715 11.106 -2.948 1.00 0.00 C ATOM 32 CG PRO A 14 4.280 10.624 -2.741 1.00 0.00 C ATOM 33 CD PRO A 14 3.604 11.011 -4.054 1.00 0.00 C ATOM 0 HA PRO A 14 6.694 11.505 -4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.418 10.567 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.823 12.165 -2.716 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.235 9.549 -2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.810 11.108 -1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.790 10.327 -4.296 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.174 12.011 -3.997 1.00 0.00 H new ATOM 41 N LEU A 15 5.629 8.517 -5.134 1.00 0.00 N ATOM 42 CA LEU A 15 6.013 7.140 -5.375 1.00 0.00 C ATOM 43 C LEU A 15 5.646 6.742 -6.797 1.00 0.00 C ATOM 44 O LEU A 15 4.891 7.445 -7.466 1.00 0.00 O ATOM 45 CB LEU A 15 5.317 6.234 -4.363 1.00 0.00 C ATOM 46 CG LEU A 15 4.788 7.077 -3.206 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.703 6.300 -2.465 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.930 7.397 -2.246 1.00 0.00 C ATOM 0 H LEU A 15 4.662 8.732 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 15 7.091 7.034 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.497 5.699 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.014 5.483 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 15 4.369 8.005 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.325 6.902 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.887 6.071 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.121 5.372 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.553 7.999 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.349 6.469 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.705 7.952 -2.775 1.00 0.00 H new ATOM 60 N THR A 16 6.182 5.611 -7.260 1.00 0.00 N ATOM 61 CA THR A 16 5.905 5.129 -8.599 1.00 0.00 C ATOM 62 C THR A 16 5.819 3.610 -8.596 1.00 0.00 C ATOM 63 O THR A 16 4.924 3.034 -9.210 1.00 0.00 O ATOM 64 CB THR A 16 7.001 5.607 -9.547 1.00 0.00 C ATOM 65 OG1 THR A 16 7.566 6.799 -9.048 1.00 0.00 O ATOM 66 CG2 THR A 16 6.403 5.866 -10.927 1.00 0.00 C ATOM 0 H THR A 16 6.811 5.016 -6.720 1.00 0.00 H new ATOM 0 HA THR A 16 4.948 5.525 -8.940 1.00 0.00 H new ATOM 0 HB THR A 16 7.774 4.842 -9.624 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.271 7.106 -9.655 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.186 6.207 -11.604 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.966 4.945 -11.313 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.630 6.631 -10.851 1.00 0.00 H new ATOM 74 N VAL A 17 6.756 2.960 -7.901 1.00 0.00 N ATOM 75 CA VAL A 17 6.783 1.514 -7.821 1.00 0.00 C ATOM 76 C VAL A 17 8.104 1.056 -7.219 1.00 0.00 C ATOM 77 O VAL A 17 8.156 0.039 -6.531 1.00 0.00 O ATOM 78 CB VAL A 17 6.591 0.924 -9.215 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.727 -0.050 -9.516 1.00 0.00 C ATOM 80 CG2 VAL A 17 5.258 0.184 -9.274 1.00 0.00 C ATOM 0 H VAL A 17 7.505 3.423 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 17 5.973 1.166 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 17 6.595 1.726 -9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.590 -0.472 -10.512 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.680 0.478 -9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.723 -0.852 -8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.120 -0.238 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.254 -0.618 -8.536 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.446 0.879 -9.059 1.00 0.00 H new ATOM 90 N LYS A 18 9.174 1.812 -7.478 1.00 0.00 N ATOM 91 CA LYS A 18 10.486 1.480 -6.960 1.00 0.00 C ATOM 92 C LYS A 18 10.714 2.188 -5.632 1.00 0.00 C ATOM 93 O LYS A 18 11.636 1.849 -4.895 1.00 0.00 O ATOM 94 CB LYS A 18 11.550 1.883 -7.977 1.00 0.00 C ATOM 95 CG LYS A 18 11.299 1.152 -9.293 1.00 0.00 C ATOM 96 CD LYS A 18 12.473 1.388 -10.239 1.00 0.00 C ATOM 97 CE LYS A 18 11.952 1.555 -11.663 1.00 0.00 C ATOM 98 NZ LYS A 18 12.978 2.150 -12.534 1.00 0.00 N ATOM 0 H LYS A 18 9.148 2.659 -8.046 1.00 0.00 H new ATOM 0 HA LYS A 18 10.551 0.405 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.526 2.961 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.542 1.640 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.174 0.085 -9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.375 1.507 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.025 2.277 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.168 0.549 -10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.651 0.585 -12.060 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.064 2.187 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.599 2.253 -13.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.246 3.085 -12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.815 1.533 -12.556 1.00 0.00 H new ATOM 112 N SER A 19 9.869 3.177 -5.329 1.00 0.00 N ATOM 113 CA SER A 19 9.982 3.925 -4.094 1.00 0.00 C ATOM 114 C SER A 19 10.349 2.987 -2.953 1.00 0.00 C ATOM 115 O SER A 19 9.764 1.915 -2.815 1.00 0.00 O ATOM 116 CB SER A 19 8.661 4.635 -3.807 1.00 0.00 C ATOM 117 OG SER A 19 8.846 6.029 -3.909 1.00 0.00 O ATOM 0 H SER A 19 9.100 3.472 -5.930 1.00 0.00 H new ATOM 0 HA SER A 19 10.769 4.673 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.898 4.306 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.306 4.376 -2.809 1.00 0.00 H new ATOM 0 HG SER A 19 8.224 6.487 -3.305 1.00 0.00 H new ATOM 123 N ASP A 20 11.320 3.394 -2.132 1.00 0.00 N ATOM 124 CA ASP A 20 11.759 2.590 -1.009 1.00 0.00 C ATOM 125 C ASP A 20 10.561 1.903 -0.369 1.00 0.00 C ATOM 126 O ASP A 20 9.678 2.567 0.170 1.00 0.00 O ATOM 127 CB ASP A 20 12.477 3.479 0.002 1.00 0.00 C ATOM 128 CG ASP A 20 13.886 2.969 0.270 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.187 2.732 1.459 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.636 2.826 -0.720 1.00 0.00 O ATOM 0 H ASP A 20 11.814 4.281 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 20 12.452 1.822 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.521 4.501 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.912 3.506 0.934 1.00 0.00 H new ATOM 136 N MET A 21 10.532 0.570 -0.428 1.00 0.00 N ATOM 137 CA MET A 21 9.443 -0.195 0.144 1.00 0.00 C ATOM 138 C MET A 21 9.086 0.358 1.516 1.00 0.00 C ATOM 139 O MET A 21 7.923 0.338 1.913 1.00 0.00 O ATOM 140 CB MET A 21 9.850 -1.663 0.243 1.00 0.00 C ATOM 141 CG MET A 21 9.427 -2.395 -1.027 1.00 0.00 C ATOM 142 SD MET A 21 10.508 -2.091 -2.446 1.00 0.00 S ATOM 143 CE MET A 21 9.453 -0.951 -3.375 1.00 0.00 C ATOM 0 H MET A 21 11.257 0.004 -0.870 1.00 0.00 H new ATOM 0 HA MET A 21 8.565 -0.116 -0.497 1.00 0.00 H new ATOM 0 HB2 MET A 21 10.928 -1.744 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.383 -2.123 1.114 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.401 -3.466 -0.826 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.412 -2.095 -1.286 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.013 -0.045 -3.607 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.131 -1.426 -4.302 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.579 -0.694 -2.776 1.00 0.00 H new ATOM 153 N SER A 22 10.092 0.854 2.241 1.00 0.00 N ATOM 154 CA SER A 22 9.879 1.411 3.562 1.00 0.00 C ATOM 155 C SER A 22 9.090 2.708 3.455 1.00 0.00 C ATOM 156 O SER A 22 8.230 2.985 4.288 1.00 0.00 O ATOM 157 CB SER A 22 11.227 1.651 4.234 1.00 0.00 C ATOM 158 OG SER A 22 11.152 1.266 5.589 1.00 0.00 O ATOM 0 H SER A 22 11.062 0.877 1.926 1.00 0.00 H new ATOM 0 HA SER A 22 9.305 0.710 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.005 1.082 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.501 2.703 4.158 1.00 0.00 H new ATOM 0 HG SER A 22 10.551 0.497 5.678 1.00 0.00 H new ATOM 164 N ALA A 23 9.385 3.504 2.424 1.00 0.00 N ATOM 165 CA ALA A 23 8.704 4.765 2.213 1.00 0.00 C ATOM 166 C ALA A 23 7.276 4.510 1.752 1.00 0.00 C ATOM 167 O ALA A 23 6.377 5.294 2.047 1.00 0.00 O ATOM 168 CB ALA A 23 9.467 5.588 1.179 1.00 0.00 C ATOM 0 H ALA A 23 10.095 3.288 1.725 1.00 0.00 H new ATOM 0 HA ALA A 23 8.668 5.324 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.955 6.537 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.478 5.777 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.513 5.038 0.239 1.00 0.00 H new ATOM 174 N ILE A 24 7.069 3.408 1.027 1.00 0.00 N ATOM 175 CA ILE A 24 5.755 3.053 0.530 1.00 0.00 C ATOM 176 C ILE A 24 4.832 2.737 1.698 1.00 0.00 C ATOM 177 O ILE A 24 3.778 3.352 1.842 1.00 0.00 O ATOM 178 CB ILE A 24 5.873 1.855 -0.408 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.457 2.308 -1.742 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.491 1.250 -0.636 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.610 3.444 -2.309 1.00 0.00 C ATOM 0 H ILE A 24 7.805 2.748 0.775 1.00 0.00 H new ATOM 0 HA ILE A 24 5.332 3.890 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 24 6.528 1.107 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.486 2.640 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.481 1.473 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.574 0.394 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.074 0.925 0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.836 1.998 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.027 3.768 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.588 3.096 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.609 4.281 -1.610 1.00 0.00 H new ATOM 193 N VAL A 25 5.230 1.774 2.532 1.00 0.00 N ATOM 194 CA VAL A 25 4.438 1.381 3.681 1.00 0.00 C ATOM 195 C VAL A 25 4.209 2.585 4.584 1.00 0.00 C ATOM 196 O VAL A 25 3.105 2.786 5.085 1.00 0.00 O ATOM 197 CB VAL A 25 5.156 0.267 4.436 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.399 -0.046 5.723 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.214 -0.984 3.563 1.00 0.00 C ATOM 0 H VAL A 25 6.101 1.255 2.425 1.00 0.00 H new ATOM 0 HA VAL A 25 3.468 1.010 3.350 1.00 0.00 H new ATOM 0 HB VAL A 25 6.169 0.588 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.912 -0.842 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.357 0.847 6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.386 -0.367 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.727 -1.780 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.201 -1.305 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.755 -0.761 2.643 1.00 0.00 H new ATOM 209 N ARG A 26 5.257 3.386 4.790 1.00 0.00 N ATOM 210 CA ARG A 26 5.166 4.563 5.630 1.00 0.00 C ATOM 211 C ARG A 26 4.042 5.463 5.137 1.00 0.00 C ATOM 212 O ARG A 26 3.240 5.950 5.931 1.00 0.00 O ATOM 213 CB ARG A 26 6.499 5.304 5.612 1.00 0.00 C ATOM 214 CG ARG A 26 7.078 5.346 7.023 1.00 0.00 C ATOM 215 CD ARG A 26 8.154 4.273 7.163 1.00 0.00 C ATOM 216 NE ARG A 26 9.106 4.618 8.220 1.00 0.00 N ATOM 217 CZ ARG A 26 10.323 4.065 8.309 1.00 0.00 C ATOM 218 NH1 ARG A 26 10.714 3.156 7.406 1.00 0.00 N ATOM 219 NH2 ARG A 26 11.150 4.422 9.302 1.00 0.00 N ATOM 0 H ARG A 26 6.179 3.232 4.381 1.00 0.00 H new ATOM 0 HA ARG A 26 4.944 4.266 6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.195 4.806 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.359 6.317 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.502 6.330 7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.289 5.183 7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.688 3.313 7.387 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.682 4.157 6.217 1.00 0.00 H new ATOM 0 HE ARG A 26 8.831 5.309 8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.085 2.885 6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.641 2.735 7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.853 5.114 9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.077 4.001 9.370 1.00 0.00 H new ATOM 233 N VAL A 27 3.984 5.683 3.822 1.00 0.00 N ATOM 234 CA VAL A 27 2.961 6.521 3.230 1.00 0.00 C ATOM 235 C VAL A 27 1.584 5.982 3.588 1.00 0.00 C ATOM 236 O VAL A 27 0.783 6.679 4.207 1.00 0.00 O ATOM 237 CB VAL A 27 3.150 6.561 1.716 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.905 7.154 1.063 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.362 7.424 1.378 1.00 0.00 C ATOM 0 H VAL A 27 4.641 5.286 3.151 1.00 0.00 H new ATOM 0 HA VAL A 27 3.045 7.536 3.620 1.00 0.00 H new ATOM 0 HB VAL A 27 3.309 5.549 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.040 7.183 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.039 6.538 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.746 8.166 1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.498 7.453 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.204 8.436 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.252 7.000 1.844 1.00 0.00 H new ATOM 249 N MET A 28 1.308 4.735 3.197 1.00 0.00 N ATOM 250 CA MET A 28 0.029 4.113 3.479 1.00 0.00 C ATOM 251 C MET A 28 -0.358 4.359 4.930 1.00 0.00 C ATOM 252 O MET A 28 -1.522 4.620 5.229 1.00 0.00 O ATOM 253 CB MET A 28 0.118 2.617 3.190 1.00 0.00 C ATOM 254 CG MET A 28 0.738 2.401 1.813 1.00 0.00 C ATOM 255 SD MET A 28 0.069 0.974 0.922 1.00 0.00 S ATOM 256 CE MET A 28 0.759 -0.353 1.942 1.00 0.00 C ATOM 0 H MET A 28 1.960 4.142 2.684 1.00 0.00 H new ATOM 0 HA MET A 28 -0.740 4.549 2.841 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.720 2.124 3.953 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.875 2.169 3.228 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.584 3.297 1.212 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.815 2.274 1.926 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.327 -1.038 1.312 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.417 0.074 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.051 -0.896 2.430 1.00 0.00 H new ATOM 266 N GLN A 29 0.621 4.276 5.833 1.00 0.00 N ATOM 267 CA GLN A 29 0.378 4.490 7.245 1.00 0.00 C ATOM 268 C GLN A 29 -0.100 5.916 7.478 1.00 0.00 C ATOM 269 O GLN A 29 -1.082 6.136 8.183 1.00 0.00 O ATOM 270 CB GLN A 29 1.660 4.214 8.027 1.00 0.00 C ATOM 271 CG GLN A 29 1.633 2.785 8.562 1.00 0.00 C ATOM 272 CD GLN A 29 2.970 2.416 9.189 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.517 1.352 8.907 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.495 3.298 10.043 1.00 0.00 N ATOM 0 H GLN A 29 1.591 4.061 5.602 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.399 3.808 7.592 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.528 4.356 7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.755 4.921 8.852 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.839 2.684 9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.403 2.093 7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.002 4.168 10.245 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.389 3.102 10.494 1.00 0.00 H new ATOM 283 N LEU A 30 0.599 6.886 6.883 1.00 0.00 N ATOM 284 CA LEU A 30 0.243 8.283 7.027 1.00 0.00 C ATOM 285 C LEU A 30 -1.271 8.438 6.987 1.00 0.00 C ATOM 286 O LEU A 30 -1.938 7.824 6.157 1.00 0.00 O ATOM 287 CB LEU A 30 0.898 9.092 5.910 1.00 0.00 C ATOM 288 CG LEU A 30 2.415 9.037 6.066 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.072 9.801 4.920 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.813 9.671 7.396 1.00 0.00 C ATOM 0 H LEU A 30 1.417 6.719 6.296 1.00 0.00 H new ATOM 0 HA LEU A 30 0.601 8.655 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.607 8.693 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.555 10.126 5.946 1.00 0.00 H new ATOM 0 HG LEU A 30 2.745 7.998 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.156 9.762 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.788 9.348 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.742 10.840 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.897 9.632 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.483 10.710 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.344 9.125 8.214 1.00 0.00 H new ATOM 302 N PRO A 31 -1.811 9.262 7.888 1.00 0.00 N ATOM 303 CA PRO A 31 -3.229 9.533 7.998 1.00 0.00 C ATOM 304 C PRO A 31 -3.674 10.402 6.831 1.00 0.00 C ATOM 305 O PRO A 31 -4.846 10.760 6.734 1.00 0.00 O ATOM 306 CB PRO A 31 -3.383 10.275 9.324 1.00 0.00 C ATOM 307 CG PRO A 31 -2.047 11.003 9.462 1.00 0.00 C ATOM 308 CD PRO A 31 -1.056 9.999 8.878 1.00 0.00 C ATOM 0 HA PRO A 31 -3.838 8.629 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.222 10.970 9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.558 9.589 10.153 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.040 11.945 8.913 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.820 11.239 10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.201 10.504 8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.664 9.336 9.650 1.00 0.00 H new ATOM 316 N ASP A 32 -2.736 10.742 5.945 1.00 0.00 N ATOM 317 CA ASP A 32 -3.036 11.569 4.793 1.00 0.00 C ATOM 318 C ASP A 32 -2.489 10.913 3.533 1.00 0.00 C ATOM 319 O ASP A 32 -2.028 11.600 2.624 1.00 0.00 O ATOM 320 CB ASP A 32 -2.427 12.954 4.990 1.00 0.00 C ATOM 321 CG ASP A 32 -1.061 12.859 5.654 1.00 0.00 C ATOM 322 OD1 ASP A 32 -1.034 12.877 6.903 1.00 0.00 O ATOM 323 OD2 ASP A 32 -0.068 12.770 4.899 1.00 0.00 O ATOM 0 H ASP A 32 -1.760 10.452 6.011 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.116 11.674 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.333 13.454 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.091 13.564 5.602 1.00 0.00 H new ATOM 329 N SER A 33 -2.540 9.580 3.481 1.00 0.00 N ATOM 330 CA SER A 33 -2.051 8.842 2.334 1.00 0.00 C ATOM 331 C SER A 33 -3.222 8.386 1.475 1.00 0.00 C ATOM 332 O SER A 33 -3.230 8.603 0.266 1.00 0.00 O ATOM 333 CB SER A 33 -1.231 7.647 2.811 1.00 0.00 C ATOM 334 OG SER A 33 -1.614 6.497 2.089 1.00 0.00 O ATOM 0 H SER A 33 -2.918 8.996 4.227 1.00 0.00 H new ATOM 0 HA SER A 33 -1.412 9.485 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.168 7.842 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.386 7.488 3.878 1.00 0.00 H new ATOM 0 HG SER A 33 -1.085 6.436 1.267 1.00 0.00 H new ATOM 340 N GLY A 34 -4.215 7.752 2.104 1.00 0.00 N ATOM 341 CA GLY A 34 -5.382 7.272 1.393 1.00 0.00 C ATOM 342 C GLY A 34 -5.828 5.929 1.955 1.00 0.00 C ATOM 343 O GLY A 34 -7.022 5.677 2.095 1.00 0.00 O ATOM 0 H GLY A 34 -4.225 7.563 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.192 7.997 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.154 7.172 0.332 1.00 0.00 H new ATOM 347 N LEU A 35 -4.862 5.066 2.277 1.00 0.00 N ATOM 348 CA LEU A 35 -5.157 3.755 2.821 1.00 0.00 C ATOM 349 C LEU A 35 -5.557 3.882 4.284 1.00 0.00 C ATOM 350 O LEU A 35 -6.644 3.460 4.672 1.00 0.00 O ATOM 351 CB LEU A 35 -3.933 2.856 2.671 1.00 0.00 C ATOM 352 CG LEU A 35 -4.269 1.454 3.172 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.724 1.132 2.847 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.357 0.438 2.490 1.00 0.00 C ATOM 0 H LEU A 35 -3.867 5.260 2.167 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.988 3.309 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.623 2.816 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.096 3.265 3.237 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.120 1.408 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.964 0.131 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.375 1.857 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.875 1.178 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.597 -0.563 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.505 0.483 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.317 0.668 2.724 1.00 0.00 H new ATOM 366 N GLU A 36 -4.674 4.465 5.099 1.00 0.00 N ATOM 367 CA GLU A 36 -4.942 4.644 6.511 1.00 0.00 C ATOM 368 C GLU A 36 -4.902 3.298 7.222 1.00 0.00 C ATOM 369 O GLU A 36 -5.850 2.521 7.139 1.00 0.00 O ATOM 370 CB GLU A 36 -6.305 5.308 6.689 1.00 0.00 C ATOM 371 CG GLU A 36 -6.112 6.743 7.170 1.00 0.00 C ATOM 372 CD GLU A 36 -6.831 7.724 6.254 1.00 0.00 C ATOM 373 OE1 GLU A 36 -6.461 7.763 5.061 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.737 8.417 6.765 1.00 0.00 O ATOM 0 H GLU A 36 -3.767 4.819 4.795 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.178 5.286 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.852 5.300 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.903 4.749 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.491 6.844 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.049 6.981 7.201 1.00 0.00 H new ATOM 382 N ILE A 37 -3.799 3.025 7.923 1.00 0.00 N ATOM 383 CA ILE A 37 -3.639 1.779 8.645 1.00 0.00 C ATOM 384 C ILE A 37 -3.883 2.011 10.130 1.00 0.00 C ATOM 385 O ILE A 37 -2.994 2.472 10.842 1.00 0.00 O ATOM 386 CB ILE A 37 -2.235 1.230 8.406 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.803 1.542 6.977 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.238 -0.281 8.618 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.530 0.612 6.010 1.00 0.00 C ATOM 0 H ILE A 37 -3.004 3.660 8.001 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.365 1.049 8.287 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.539 1.694 9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.028 2.581 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.725 1.417 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.236 -0.674 8.448 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.547 -0.505 9.639 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.934 -0.745 7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.221 0.835 4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.283 -0.423 6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.606 0.759 6.104 1.00 0.00 H new ATOM 401 N ARG A 38 -5.092 1.688 10.595 1.00 0.00 N ATOM 402 CA ARG A 38 -5.446 1.863 11.990 1.00 0.00 C ATOM 403 C ARG A 38 -6.866 1.367 12.227 1.00 0.00 C ATOM 404 O ARG A 38 -7.158 0.795 13.274 1.00 0.00 O ATOM 405 CB ARG A 38 -5.318 3.336 12.365 1.00 0.00 C ATOM 406 CG ARG A 38 -4.039 3.547 13.169 1.00 0.00 C ATOM 407 CD ARG A 38 -3.239 4.696 12.560 1.00 0.00 C ATOM 408 NE ARG A 38 -2.196 5.155 13.479 1.00 0.00 N ATOM 409 CZ ARG A 38 -2.431 6.034 14.462 1.00 0.00 C ATOM 410 NH1 ARG A 38 -3.663 6.531 14.637 1.00 0.00 N ATOM 411 NH2 ARG A 38 -1.434 6.417 15.271 1.00 0.00 N ATOM 0 H ARG A 38 -5.839 1.303 10.017 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.770 1.282 12.617 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.300 3.951 11.465 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.183 3.650 12.949 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.282 3.770 14.208 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.443 2.635 13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.786 4.372 11.623 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.908 5.523 12.321 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.250 4.790 13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.423 6.240 14.021 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.841 7.200 15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.496 6.039 15.138 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.613 7.086 16.019 1.00 0.00 H new ATOM 425 N ASP A 39 -7.748 1.588 11.250 1.00 0.00 N ATOM 426 CA ASP A 39 -9.129 1.164 11.357 1.00 0.00 C ATOM 427 C ASP A 39 -9.641 0.724 9.993 1.00 0.00 C ATOM 428 O ASP A 39 -9.468 1.434 9.005 1.00 0.00 O ATOM 429 CB ASP A 39 -9.971 2.313 11.906 1.00 0.00 C ATOM 430 CG ASP A 39 -9.165 3.162 12.878 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.382 4.001 12.383 1.00 0.00 O ATOM 432 OD2 ASP A 39 -9.347 2.956 14.097 1.00 0.00 O ATOM 0 H ASP A 39 -7.520 2.061 10.375 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.202 0.318 12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.327 2.934 11.084 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.852 1.915 12.409 1.00 0.00 H new ATOM 438 N ARG A 40 -10.272 -0.451 9.941 1.00 0.00 N ATOM 439 CA ARG A 40 -10.803 -0.980 8.701 1.00 0.00 C ATOM 440 C ARG A 40 -12.060 -1.791 8.982 1.00 0.00 C ATOM 441 O ARG A 40 -12.483 -1.905 10.130 1.00 0.00 O ATOM 442 CB ARG A 40 -9.743 -1.844 8.022 1.00 0.00 C ATOM 443 CG ARG A 40 -8.834 -0.960 7.173 1.00 0.00 C ATOM 444 CD ARG A 40 -9.224 -1.093 5.703 1.00 0.00 C ATOM 445 NE ARG A 40 -9.368 0.221 5.077 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.054 0.413 3.942 1.00 0.00 C ATOM 447 NH1 ARG A 40 -10.644 -0.624 3.332 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.149 1.642 3.416 1.00 0.00 N ATOM 0 H ARG A 40 -10.424 -1.050 10.752 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.066 -0.159 8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.156 -2.374 8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.220 -2.600 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.920 0.079 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.793 -1.251 7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.467 -1.671 5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.161 -1.644 5.620 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.928 1.025 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.571 -1.560 3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.166 -0.478 2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.699 2.431 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.671 1.788 2.552 1.00 0.00 H new ATOM 462 N MET A 41 -12.657 -2.355 7.930 1.00 0.00 N ATOM 463 CA MET A 41 -13.861 -3.149 8.071 1.00 0.00 C ATOM 464 C MET A 41 -13.661 -4.513 7.428 1.00 0.00 C ATOM 465 O MET A 41 -13.291 -4.603 6.259 1.00 0.00 O ATOM 466 CB MET A 41 -15.033 -2.414 7.426 1.00 0.00 C ATOM 467 CG MET A 41 -15.306 -1.121 8.190 1.00 0.00 C ATOM 468 SD MET A 41 -17.022 -0.555 8.086 1.00 0.00 S ATOM 469 CE MET A 41 -17.829 -1.915 8.966 1.00 0.00 C ATOM 0 H MET A 41 -12.318 -2.271 6.972 1.00 0.00 H new ATOM 0 HA MET A 41 -14.079 -3.298 9.128 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.807 -2.192 6.383 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.921 -3.047 7.432 1.00 0.00 H new ATOM 0 HG2 MET A 41 -15.045 -1.268 9.238 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.652 -0.338 7.806 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.879 -1.672 9.127 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.754 -2.827 8.373 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.340 -2.067 9.928 1.00 0.00 H new ATOM 479 N TRP A 42 -13.907 -5.579 8.193 1.00 0.00 N ATOM 480 CA TRP A 42 -13.753 -6.929 7.691 1.00 0.00 C ATOM 481 C TRP A 42 -14.825 -7.829 8.288 1.00 0.00 C ATOM 482 O TRP A 42 -15.127 -7.736 9.476 1.00 0.00 O ATOM 483 CB TRP A 42 -12.359 -7.444 8.037 1.00 0.00 C ATOM 484 CG TRP A 42 -12.077 -8.843 7.592 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.669 -9.850 8.396 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.171 -9.416 6.252 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.506 -10.998 7.650 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.802 -10.787 6.319 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.530 -8.917 4.987 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.789 -11.617 5.195 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.521 -9.742 3.853 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.152 -11.089 3.953 1.00 0.00 C ATOM 0 H TRP A 42 -14.214 -5.524 9.164 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.868 -6.932 6.607 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.620 -6.780 7.589 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.224 -7.388 9.117 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.497 -9.768 9.459 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -11.204 -11.893 8.035 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.818 -7.881 4.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.502 -12.654 5.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.801 -9.334 2.893 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.148 -11.717 3.074 1.00 0.00 H new ATOM 503 N LEU A 43 -15.401 -8.705 7.460 1.00 0.00 N ATOM 504 CA LEU A 43 -16.434 -9.616 7.909 1.00 0.00 C ATOM 505 C LEU A 43 -17.701 -8.840 8.237 1.00 0.00 C ATOM 506 O LEU A 43 -18.596 -9.360 8.900 1.00 0.00 O ATOM 507 CB LEU A 43 -15.939 -10.384 9.131 1.00 0.00 C ATOM 508 CG LEU A 43 -15.386 -11.737 8.692 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.866 -11.737 8.836 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.980 -12.837 9.567 1.00 0.00 C ATOM 0 H LEU A 43 -15.162 -8.795 6.473 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.664 -10.329 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.166 -9.812 9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.755 -10.525 9.840 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.652 -11.918 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.471 -12.703 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.441 -10.951 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.599 -11.556 9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.586 -13.804 9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.714 -12.657 10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.065 -12.837 9.464 1.00 0.00 H new ATOM 522 N LYS A 44 -17.776 -7.591 7.771 1.00 0.00 N ATOM 523 CA LYS A 44 -18.932 -6.753 8.018 1.00 0.00 C ATOM 524 C LYS A 44 -18.852 -6.159 9.417 1.00 0.00 C ATOM 525 O LYS A 44 -19.855 -5.695 9.955 1.00 0.00 O ATOM 526 CB LYS A 44 -20.204 -7.580 7.854 1.00 0.00 C ATOM 527 CG LYS A 44 -20.664 -8.080 9.220 1.00 0.00 C ATOM 528 CD LYS A 44 -21.955 -7.367 9.615 1.00 0.00 C ATOM 529 CE LYS A 44 -22.483 -7.955 10.920 1.00 0.00 C ATOM 530 NZ LYS A 44 -23.076 -9.283 10.698 1.00 0.00 N ATOM 0 H LYS A 44 -17.043 -7.145 7.220 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.951 -5.934 7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.986 -6.977 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.019 -8.424 7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.826 -9.157 9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.891 -7.895 9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -21.772 -6.299 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.700 -7.477 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.671 -8.032 11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.230 -7.286 11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -23.618 -9.566 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.709 -9.247 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -22.320 -9.976 10.524 1.00 0.00 H new ATOM 544 N ILE A 45 -17.653 -6.174 10.005 1.00 0.00 N ATOM 545 CA ILE A 45 -17.446 -5.638 11.335 1.00 0.00 C ATOM 546 C ILE A 45 -16.447 -4.490 11.278 1.00 0.00 C ATOM 547 O ILE A 45 -16.000 -4.108 10.199 1.00 0.00 O ATOM 548 CB ILE A 45 -16.945 -6.746 12.258 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.470 -8.092 11.768 1.00 0.00 C ATOM 550 CG2 ILE A 45 -17.444 -6.491 13.677 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.958 -9.201 12.683 1.00 0.00 C ATOM 0 H ILE A 45 -16.813 -6.556 9.571 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.388 -5.255 11.728 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.855 -6.758 12.253 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.560 -8.088 11.759 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -17.143 -8.271 10.744 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -17.086 -7.282 14.336 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -17.069 -5.529 14.027 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -18.534 -6.479 13.683 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -17.333 -10.163 12.334 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.868 -9.210 12.670 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -17.307 -9.024 13.700 1.00 0.00 H new ATOM 563 N THR A 46 -16.098 -3.940 12.443 1.00 0.00 N ATOM 564 CA THR A 46 -15.155 -2.842 12.513 1.00 0.00 C ATOM 565 C THR A 46 -13.921 -3.267 13.295 1.00 0.00 C ATOM 566 O THR A 46 -14.033 -3.894 14.346 1.00 0.00 O ATOM 567 CB THR A 46 -15.825 -1.640 13.173 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.596 -0.948 12.217 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.756 -0.707 13.736 1.00 0.00 C ATOM 0 H THR A 46 -16.459 -4.244 13.347 1.00 0.00 H new ATOM 0 HA THR A 46 -14.843 -2.562 11.507 1.00 0.00 H new ATOM 0 HB THR A 46 -16.471 -1.983 13.982 1.00 0.00 H new ATOM 0 HG1 THR A 46 -17.028 -0.177 12.641 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.234 0.152 14.207 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.159 -1.241 14.475 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.110 -0.364 12.928 1.00 0.00 H new ATOM 577 N ILE A 47 -12.739 -2.924 12.777 1.00 0.00 N ATOM 578 CA ILE A 47 -11.489 -3.269 13.426 1.00 0.00 C ATOM 579 C ILE A 47 -10.724 -2.000 13.775 1.00 0.00 C ATOM 580 O ILE A 47 -11.093 -0.911 13.341 1.00 0.00 O ATOM 581 CB ILE A 47 -10.666 -4.161 12.501 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.545 -4.659 11.358 1.00 0.00 C ATOM 583 CG2 ILE A 47 -10.131 -5.353 13.289 1.00 0.00 C ATOM 584 CD1 ILE A 47 -12.574 -5.647 11.901 1.00 0.00 C ATOM 0 H ILE A 47 -12.630 -2.405 11.906 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.690 -3.814 14.348 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.831 -3.590 12.094 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.049 -3.819 10.880 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.931 -5.139 10.596 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.543 -5.991 12.629 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.502 -4.997 14.105 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.965 -5.924 13.697 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.202 -6.003 11.085 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.060 -6.492 12.359 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.195 -5.152 12.648 1.00 0.00 H new ATOM 596 N ALA A 48 -9.655 -2.143 14.562 1.00 0.00 N ATOM 597 CA ALA A 48 -8.845 -1.011 14.965 1.00 0.00 C ATOM 598 C ALA A 48 -7.403 -1.228 14.531 1.00 0.00 C ATOM 599 O ALA A 48 -6.476 -0.950 15.289 1.00 0.00 O ATOM 600 CB ALA A 48 -8.935 -0.837 16.478 1.00 0.00 C ATOM 0 H ALA A 48 -9.336 -3.039 14.930 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.214 -0.104 14.485 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.326 0.014 16.783 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.972 -0.662 16.763 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.571 -1.739 16.970 1.00 0.00 H new ATOM 606 N ASN A 49 -7.214 -1.726 13.307 1.00 0.00 N ATOM 607 CA ASN A 49 -5.887 -1.976 12.781 1.00 0.00 C ATOM 608 C ASN A 49 -5.937 -3.105 11.761 1.00 0.00 C ATOM 609 O ASN A 49 -5.743 -4.268 12.108 1.00 0.00 O ATOM 610 CB ASN A 49 -4.945 -2.327 13.930 1.00 0.00 C ATOM 611 CG ASN A 49 -4.130 -1.113 14.354 1.00 0.00 C ATOM 612 OD1 ASN A 49 -4.162 -0.079 13.690 1.00 0.00 O ATOM 613 ND2 ASN A 49 -3.399 -1.241 15.464 1.00 0.00 N ATOM 0 H ASN A 49 -7.972 -1.962 12.666 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.516 -1.081 12.282 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.521 -2.697 14.778 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.275 -3.131 13.624 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.834 -0.459 15.795 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.406 -2.120 15.981 1.00 0.00 H new ATOM 620 N ALA A 50 -6.198 -2.758 10.499 1.00 0.00 N ATOM 621 CA ALA A 50 -6.273 -3.740 9.436 1.00 0.00 C ATOM 622 C ALA A 50 -5.930 -3.086 8.105 1.00 0.00 C ATOM 623 O ALA A 50 -6.005 -1.867 7.973 1.00 0.00 O ATOM 624 CB ALA A 50 -7.675 -4.341 9.398 1.00 0.00 C ATOM 0 H ALA A 50 -6.360 -1.798 10.196 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.555 -4.539 9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.733 -5.080 8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.891 -4.821 10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.404 -3.552 9.216 1.00 0.00 H new ATOM 630 N VAL A 51 -5.552 -3.902 7.117 1.00 0.00 N ATOM 631 CA VAL A 51 -5.200 -3.400 5.804 1.00 0.00 C ATOM 632 C VAL A 51 -4.693 -4.543 4.936 1.00 0.00 C ATOM 633 O VAL A 51 -5.183 -4.748 3.828 1.00 0.00 O ATOM 634 CB VAL A 51 -4.137 -2.314 5.944 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.808 -0.943 5.945 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.379 -2.510 7.253 1.00 0.00 C ATOM 0 H VAL A 51 -5.485 -4.915 7.211 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.080 -2.969 5.326 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.440 -2.377 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.049 -0.167 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.350 -0.802 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.505 -0.879 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.620 -1.735 7.353 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.075 -2.447 8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.900 -3.489 7.253 1.00 0.00 H new ATOM 646 N ILE A 52 -3.707 -5.288 5.443 1.00 0.00 N ATOM 647 CA ILE A 52 -3.140 -6.406 4.716 1.00 0.00 C ATOM 648 C ILE A 52 -2.676 -5.944 3.342 1.00 0.00 C ATOM 649 O ILE A 52 -2.959 -4.819 2.935 1.00 0.00 O ATOM 650 CB ILE A 52 -4.183 -7.513 4.592 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.498 -8.872 4.707 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.878 -7.407 3.238 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.554 -9.974 4.723 1.00 0.00 C ATOM 0 H ILE A 52 -3.289 -5.129 6.360 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.278 -6.797 5.256 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.920 -7.409 5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.816 -9.019 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.900 -8.914 5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.623 -8.197 3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.367 -6.436 3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.141 -7.511 2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.065 -10.945 4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.218 -9.829 5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.133 -9.936 3.800 1.00 0.00 H new ATOM 665 N GLY A 53 -1.962 -6.815 2.625 1.00 0.00 N ATOM 666 CA GLY A 53 -1.466 -6.487 1.304 1.00 0.00 C ATOM 667 C GLY A 53 -2.623 -6.137 0.378 1.00 0.00 C ATOM 668 O GLY A 53 -2.459 -5.355 -0.556 1.00 0.00 O ATOM 0 H GLY A 53 -1.719 -7.752 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.774 -5.647 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.908 -7.331 0.898 1.00 0.00 H new ATOM 672 N ALA A 54 -3.795 -6.718 0.641 1.00 0.00 N ATOM 673 CA ALA A 54 -4.971 -6.467 -0.168 1.00 0.00 C ATOM 674 C ALA A 54 -5.191 -4.967 -0.306 1.00 0.00 C ATOM 675 O ALA A 54 -5.193 -4.438 -1.416 1.00 0.00 O ATOM 676 CB ALA A 54 -6.183 -7.133 0.477 1.00 0.00 C ATOM 0 H ALA A 54 -3.947 -7.367 1.413 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.829 -6.887 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.068 -6.945 -0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.013 -8.207 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.335 -6.723 1.476 1.00 0.00 H new ATOM 682 N ASP A 55 -5.376 -4.282 0.824 1.00 0.00 N ATOM 683 CA ASP A 55 -5.597 -2.850 0.823 1.00 0.00 C ATOM 684 C ASP A 55 -4.338 -2.136 0.350 1.00 0.00 C ATOM 685 O ASP A 55 -4.407 -1.255 -0.504 1.00 0.00 O ATOM 686 CB ASP A 55 -5.982 -2.394 2.227 1.00 0.00 C ATOM 687 CG ASP A 55 -7.110 -1.373 2.177 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.001 -0.448 1.344 1.00 0.00 O ATOM 689 OD2 ASP A 55 -8.060 -1.538 2.972 1.00 0.00 O ATOM 0 H ASP A 55 -5.376 -4.706 1.752 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.410 -2.603 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.291 -3.254 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.114 -1.959 2.723 1.00 0.00 H new ATOM 695 N VAL A 56 -3.187 -2.518 0.908 1.00 0.00 N ATOM 696 CA VAL A 56 -1.922 -1.914 0.543 1.00 0.00 C ATOM 697 C VAL A 56 -1.788 -1.879 -0.973 1.00 0.00 C ATOM 698 O VAL A 56 -1.189 -0.957 -1.524 1.00 0.00 O ATOM 699 CB VAL A 56 -0.780 -2.710 1.168 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.545 -2.010 0.880 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.990 -2.799 2.677 1.00 0.00 C ATOM 0 H VAL A 56 -3.115 -3.248 1.617 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.881 -0.891 0.917 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.761 -3.714 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.361 -2.578 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.695 -1.944 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.526 -1.007 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.175 -3.367 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.009 -1.795 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.937 -3.298 2.884 1.00 0.00 H new ATOM 711 N VAL A 57 -2.348 -2.886 -1.647 1.00 0.00 N ATOM 712 CA VAL A 57 -2.289 -2.964 -3.093 1.00 0.00 C ATOM 713 C VAL A 57 -3.328 -2.033 -3.702 1.00 0.00 C ATOM 714 O VAL A 57 -2.978 -1.065 -4.374 1.00 0.00 O ATOM 715 CB VAL A 57 -2.531 -4.405 -3.533 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.613 -4.465 -5.056 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.379 -5.284 -3.052 1.00 0.00 C ATOM 0 H VAL A 57 -2.847 -3.658 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.303 -2.652 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.467 -4.763 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.786 -5.494 -5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.434 -3.837 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.677 -4.107 -5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.551 -6.314 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.444 -4.925 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.319 -5.242 -1.965 1.00 0.00 H new ATOM 727 N ASP A 58 -4.608 -2.327 -3.466 1.00 0.00 N ATOM 728 CA ASP A 58 -5.688 -1.517 -3.992 1.00 0.00 C ATOM 729 C ASP A 58 -5.335 -0.042 -3.863 1.00 0.00 C ATOM 730 O ASP A 58 -5.786 0.778 -4.660 1.00 0.00 O ATOM 731 CB ASP A 58 -6.975 -1.832 -3.234 1.00 0.00 C ATOM 732 CG ASP A 58 -7.629 -3.095 -3.777 1.00 0.00 C ATOM 733 OD1 ASP A 58 -8.855 -3.042 -4.014 1.00 0.00 O ATOM 734 OD2 ASP A 58 -6.891 -4.090 -3.945 1.00 0.00 O ATOM 0 H ASP A 58 -4.914 -3.126 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.838 -1.745 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.756 -1.958 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.667 -0.994 -3.319 1.00 0.00 H new ATOM 740 N TRP A 59 -4.525 0.296 -2.857 1.00 0.00 N ATOM 741 CA TRP A 59 -4.118 1.669 -2.636 1.00 0.00 C ATOM 742 C TRP A 59 -3.015 2.047 -3.615 1.00 0.00 C ATOM 743 O TRP A 59 -3.233 2.850 -4.519 1.00 0.00 O ATOM 744 CB TRP A 59 -3.641 1.831 -1.196 1.00 0.00 C ATOM 745 CG TRP A 59 -3.428 3.245 -0.758 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.396 4.084 -0.330 1.00 0.00 C ATOM 747 CD2 TRP A 59 -2.184 4.007 -0.697 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.841 5.305 -0.011 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.477 5.313 -0.219 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.838 3.730 -0.998 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.491 6.289 -0.048 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.158 4.702 -0.830 1.00 0.00 C ATOM 753 CH2 TRP A 59 -0.163 5.979 -0.356 1.00 0.00 C ATOM 0 H TRP A 59 -4.142 -0.370 -2.186 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.966 2.334 -2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.371 1.367 -0.533 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.706 1.284 -1.075 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.444 3.836 -0.250 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.373 6.103 0.336 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.567 2.751 -1.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.752 7.271 0.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.184 4.463 -1.069 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.611 6.721 -0.229 1.00 0.00 H new ATOM 764 N LEU A 60 -1.827 1.464 -3.431 1.00 0.00 N ATOM 765 CA LEU A 60 -0.698 1.741 -4.296 1.00 0.00 C ATOM 766 C LEU A 60 -1.187 2.018 -5.711 1.00 0.00 C ATOM 767 O LEU A 60 -0.659 2.895 -6.392 1.00 0.00 O ATOM 768 CB LEU A 60 0.259 0.553 -4.278 1.00 0.00 C ATOM 769 CG LEU A 60 1.188 0.667 -3.072 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.862 -0.678 -2.820 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.252 1.726 -3.348 1.00 0.00 C ATOM 0 H LEU A 60 -1.631 0.796 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.168 2.623 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.303 -0.380 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.842 0.528 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 60 0.610 0.953 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.525 -0.597 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.102 -1.434 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.441 -0.965 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.916 1.808 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.831 1.440 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.771 2.687 -3.528 1.00 0.00 H new ATOM 783 N TYR A 61 -2.198 1.267 -6.153 1.00 0.00 N ATOM 784 CA TYR A 61 -2.749 1.435 -7.483 1.00 0.00 C ATOM 785 C TYR A 61 -3.603 2.693 -7.532 1.00 0.00 C ATOM 786 O TYR A 61 -3.382 3.564 -8.371 1.00 0.00 O ATOM 787 CB TYR A 61 -3.575 0.205 -7.848 1.00 0.00 C ATOM 788 CG TYR A 61 -4.162 0.265 -9.238 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.329 1.001 -9.474 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.540 -0.417 -10.291 1.00 0.00 C ATOM 791 CE1 TYR A 61 -5.874 1.056 -10.763 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.085 -0.362 -11.579 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.252 0.374 -11.815 1.00 0.00 C ATOM 794 OH TYR A 61 -5.782 0.428 -13.071 1.00 0.00 O ATOM 0 H TYR A 61 -2.647 0.536 -5.601 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.940 1.541 -8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.947 -0.682 -7.765 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.383 0.092 -7.125 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.809 1.527 -8.662 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.640 -0.985 -10.109 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.774 1.625 -10.945 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.605 -0.888 -12.391 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.227 -0.099 -13.683 1.00 0.00 H new ATOM 804 N THR A 62 -4.583 2.789 -6.630 1.00 0.00 N ATOM 805 CA THR A 62 -5.461 3.940 -6.579 1.00 0.00 C ATOM 806 C THR A 62 -4.703 5.146 -6.042 1.00 0.00 C ATOM 807 O THR A 62 -5.268 6.230 -5.913 1.00 0.00 O ATOM 808 CB THR A 62 -6.664 3.622 -5.696 1.00 0.00 C ATOM 809 OG1 THR A 62 -6.221 3.283 -4.401 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.436 2.448 -6.293 1.00 0.00 C ATOM 0 H THR A 62 -4.781 2.077 -5.927 1.00 0.00 H new ATOM 0 HA THR A 62 -5.814 4.176 -7.583 1.00 0.00 H new ATOM 0 HB THR A 62 -7.314 4.495 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.365 2.326 -4.246 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.296 2.220 -5.663 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.779 2.709 -7.294 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.785 1.575 -6.349 1.00 0.00 H new ATOM 818 N HIS A 63 -3.419 4.957 -5.730 1.00 0.00 N ATOM 819 CA HIS A 63 -2.596 6.029 -5.209 1.00 0.00 C ATOM 820 C HIS A 63 -1.730 6.607 -6.320 1.00 0.00 C ATOM 821 O HIS A 63 -2.009 7.691 -6.828 1.00 0.00 O ATOM 822 CB HIS A 63 -1.730 5.497 -4.070 1.00 0.00 C ATOM 823 CG HIS A 63 -1.181 6.592 -3.198 1.00 0.00 C ATOM 824 ND1 HIS A 63 0.125 6.996 -3.135 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -1.902 7.368 -2.319 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 0.207 8.035 -2.204 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -1.040 8.223 -1.740 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.934 4.066 -5.833 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.233 6.825 -4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.320 4.813 -3.459 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.904 4.921 -4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.963 7.303 -2.129 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.095 8.578 -1.915 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.298 8.921 -1.042 1.00 0.00 H new ATOM 835 N VAL A 64 -0.676 5.879 -6.696 1.00 0.00 N ATOM 836 CA VAL A 64 0.224 6.321 -7.742 1.00 0.00 C ATOM 837 C VAL A 64 0.164 5.353 -8.915 1.00 0.00 C ATOM 838 O VAL A 64 -0.675 4.455 -8.939 1.00 0.00 O ATOM 839 CB VAL A 64 1.643 6.411 -7.187 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.718 7.538 -6.162 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.012 5.089 -6.519 1.00 0.00 C ATOM 0 H VAL A 64 -0.432 4.978 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.077 7.308 -8.094 1.00 0.00 H new ATOM 0 HB VAL A 64 2.340 6.614 -8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.731 7.602 -5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.454 8.482 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.022 7.336 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.025 5.152 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.316 4.886 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.959 4.284 -7.252 1.00 0.00 H new ATOM 851 N GLU A 65 1.057 5.537 -9.891 1.00 0.00 N ATOM 852 CA GLU A 65 1.098 4.678 -11.057 1.00 0.00 C ATOM 853 C GLU A 65 2.524 4.207 -11.305 1.00 0.00 C ATOM 854 O GLU A 65 3.467 4.739 -10.722 1.00 0.00 O ATOM 855 CB GLU A 65 0.563 5.440 -12.267 1.00 0.00 C ATOM 856 CG GLU A 65 1.342 6.741 -12.434 1.00 0.00 C ATOM 857 CD GLU A 65 1.649 7.006 -13.900 1.00 0.00 C ATOM 858 OE1 GLU A 65 2.641 6.422 -14.387 1.00 0.00 O ATOM 859 OE2 GLU A 65 0.886 7.788 -14.508 1.00 0.00 O ATOM 0 H GLU A 65 1.759 6.277 -9.888 1.00 0.00 H new ATOM 0 HA GLU A 65 0.473 3.801 -10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.657 4.830 -13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.498 5.653 -12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.765 7.570 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.272 6.688 -11.867 1.00 0.00 H new ATOM 867 N GLY A 66 2.682 3.205 -12.173 1.00 0.00 N ATOM 868 CA GLY A 66 3.992 2.671 -12.489 1.00 0.00 C ATOM 869 C GLY A 66 3.949 1.150 -12.518 1.00 0.00 C ATOM 870 O GLY A 66 4.911 0.506 -12.930 1.00 0.00 O ATOM 0 H GLY A 66 1.912 2.752 -12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.324 3.051 -13.455 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.718 3.007 -11.748 1.00 0.00 H new ATOM 874 N PHE A 67 2.827 0.574 -12.077 1.00 0.00 N ATOM 875 CA PHE A 67 2.667 -0.866 -12.055 1.00 0.00 C ATOM 876 C PHE A 67 2.172 -1.351 -13.410 1.00 0.00 C ATOM 877 O PHE A 67 1.115 -0.929 -13.875 1.00 0.00 O ATOM 878 CB PHE A 67 1.685 -1.250 -10.951 1.00 0.00 C ATOM 879 CG PHE A 67 2.060 -0.702 -9.595 1.00 0.00 C ATOM 880 CD1 PHE A 67 3.071 -1.316 -8.847 1.00 0.00 C ATOM 881 CD2 PHE A 67 1.393 0.418 -9.084 1.00 0.00 C ATOM 882 CE1 PHE A 67 3.417 -0.809 -7.588 1.00 0.00 C ATOM 883 CE2 PHE A 67 1.739 0.925 -7.825 1.00 0.00 C ATOM 884 CZ PHE A 67 2.751 0.311 -7.078 1.00 0.00 C ATOM 0 H PHE A 67 2.019 1.092 -11.731 1.00 0.00 H new ATOM 0 HA PHE A 67 3.627 -1.340 -11.851 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.691 -0.890 -11.218 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.625 -2.337 -10.891 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.584 -2.181 -9.241 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.612 0.891 -9.661 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.198 -1.282 -7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.225 1.789 -7.431 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.018 0.702 -6.107 1.00 0.00 H new ATOM 894 N LYS A 68 2.939 -2.241 -14.044 1.00 0.00 N ATOM 895 CA LYS A 68 2.574 -2.777 -15.340 1.00 0.00 C ATOM 896 C LYS A 68 1.133 -3.267 -15.311 1.00 0.00 C ATOM 897 O LYS A 68 0.340 -2.923 -16.185 1.00 0.00 O ATOM 898 CB LYS A 68 3.524 -3.914 -15.705 1.00 0.00 C ATOM 899 CG LYS A 68 2.910 -4.749 -16.825 1.00 0.00 C ATOM 900 CD LYS A 68 2.521 -6.122 -16.283 1.00 0.00 C ATOM 901 CE LYS A 68 1.964 -6.978 -17.417 1.00 0.00 C ATOM 902 NZ LYS A 68 3.015 -7.822 -18.006 1.00 0.00 N ATOM 0 H LYS A 68 3.818 -2.601 -13.672 1.00 0.00 H new ATOM 0 HA LYS A 68 2.655 -1.996 -16.096 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.486 -3.511 -16.022 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.713 -4.539 -14.832 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.033 -4.244 -17.230 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.621 -4.858 -17.644 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.389 -6.609 -15.839 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.777 -6.016 -15.494 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.157 -7.606 -17.040 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.535 -6.335 -18.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.611 -8.394 -18.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.773 -7.219 -18.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.406 -8.450 -17.275 1.00 0.00 H new ATOM 916 N GLU A 69 0.795 -4.073 -14.302 1.00 0.00 N ATOM 917 CA GLU A 69 -0.547 -4.603 -14.166 1.00 0.00 C ATOM 918 C GLU A 69 -0.759 -5.125 -12.752 1.00 0.00 C ATOM 919 O GLU A 69 0.141 -5.051 -11.919 1.00 0.00 O ATOM 920 CB GLU A 69 -0.760 -5.713 -15.191 1.00 0.00 C ATOM 921 CG GLU A 69 -2.229 -5.753 -15.599 1.00 0.00 C ATOM 922 CD GLU A 69 -2.381 -5.566 -17.102 1.00 0.00 C ATOM 923 OE1 GLU A 69 -1.448 -4.984 -17.698 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.426 -6.007 -17.627 1.00 0.00 O ATOM 0 H GLU A 69 1.440 -4.369 -13.569 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.274 -3.812 -14.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.133 -5.540 -16.066 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.462 -6.673 -14.770 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.667 -6.705 -15.301 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.778 -4.971 -15.074 1.00 0.00 H new ATOM 932 N ARG A 70 -1.954 -5.657 -12.484 1.00 0.00 N ATOM 933 CA ARG A 70 -2.279 -6.188 -11.176 1.00 0.00 C ATOM 934 C ARG A 70 -1.106 -6.998 -10.643 1.00 0.00 C ATOM 935 O ARG A 70 -0.899 -7.072 -9.434 1.00 0.00 O ATOM 936 CB ARG A 70 -3.532 -7.054 -11.277 1.00 0.00 C ATOM 937 CG ARG A 70 -4.334 -6.938 -9.984 1.00 0.00 C ATOM 938 CD ARG A 70 -4.973 -8.286 -9.659 1.00 0.00 C ATOM 939 NE ARG A 70 -6.423 -8.158 -9.510 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.265 -9.181 -9.705 1.00 0.00 C ATOM 941 NH1 ARG A 70 -6.789 -10.385 -10.051 1.00 0.00 N ATOM 942 NH2 ARG A 70 -8.585 -9.001 -9.554 1.00 0.00 N ATOM 0 H ARG A 70 -2.710 -5.727 -13.165 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.474 -5.369 -10.484 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.140 -6.736 -12.124 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.256 -8.093 -11.455 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.684 -6.625 -9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.104 -6.174 -10.089 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.747 -9.000 -10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.543 -8.684 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.809 -7.251 -9.246 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.785 -10.523 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.431 -11.164 -10.199 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.948 -8.085 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.226 -9.780 -9.703 1.00 0.00 H new ATOM 956 N ARG A 71 -0.336 -7.605 -11.549 1.00 0.00 N ATOM 957 CA ARG A 71 0.809 -8.406 -11.167 1.00 0.00 C ATOM 958 C ARG A 71 1.860 -7.522 -10.511 1.00 0.00 C ATOM 959 O ARG A 71 2.085 -7.611 -9.306 1.00 0.00 O ATOM 960 CB ARG A 71 1.380 -9.098 -12.401 1.00 0.00 C ATOM 961 CG ARG A 71 0.258 -9.817 -13.145 1.00 0.00 C ATOM 962 CD ARG A 71 0.251 -11.292 -12.753 1.00 0.00 C ATOM 963 NE ARG A 71 -0.959 -11.958 -13.235 1.00 0.00 N ATOM 964 CZ ARG A 71 -1.094 -13.291 -13.257 1.00 0.00 C ATOM 965 NH1 ARG A 71 -0.095 -14.073 -12.824 1.00 0.00 N ATOM 966 NH2 ARG A 71 -2.227 -13.843 -13.711 1.00 0.00 N ATOM 0 H ARG A 71 -0.493 -7.551 -12.555 1.00 0.00 H new ATOM 0 HA ARG A 71 0.502 -9.167 -10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.854 -8.366 -13.055 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.151 -9.810 -12.108 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.703 -9.361 -12.905 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.398 -9.716 -14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.131 -11.786 -13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.313 -11.384 -11.669 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.733 -11.383 -13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.768 -13.653 -12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.198 -15.088 -12.841 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.988 -13.249 -14.040 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.329 -14.858 -13.727 1.00 0.00 H new ATOM 980 N GLU A 72 2.505 -6.666 -11.307 1.00 0.00 N ATOM 981 CA GLU A 72 3.525 -5.772 -10.797 1.00 0.00 C ATOM 982 C GLU A 72 3.073 -5.167 -9.476 1.00 0.00 C ATOM 983 O GLU A 72 3.864 -5.044 -8.543 1.00 0.00 O ATOM 984 CB GLU A 72 3.802 -4.679 -11.826 1.00 0.00 C ATOM 985 CG GLU A 72 4.832 -5.178 -12.834 1.00 0.00 C ATOM 986 CD GLU A 72 5.556 -4.012 -13.494 1.00 0.00 C ATOM 987 OE1 GLU A 72 5.048 -2.878 -13.356 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.602 -4.277 -14.124 1.00 0.00 O ATOM 0 H GLU A 72 2.332 -6.580 -12.309 1.00 0.00 H new ATOM 0 HA GLU A 72 4.445 -6.329 -10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.880 -4.405 -12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.169 -3.781 -11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.554 -5.823 -12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.339 -5.783 -13.595 1.00 0.00 H new ATOM 996 N ALA A 73 1.795 -4.789 -9.398 1.00 0.00 N ATOM 997 CA ALA A 73 1.244 -4.199 -8.194 1.00 0.00 C ATOM 998 C ALA A 73 1.434 -5.150 -7.021 1.00 0.00 C ATOM 999 O ALA A 73 2.002 -4.773 -5.999 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.235 -3.894 -8.410 1.00 0.00 C ATOM 0 H ALA A 73 1.127 -4.885 -10.162 1.00 0.00 H new ATOM 0 HA ALA A 73 1.764 -3.268 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.651 -3.450 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.345 -3.196 -9.240 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.767 -4.817 -8.639 1.00 0.00 H new ATOM 1006 N ARG A 74 0.956 -6.388 -7.171 1.00 0.00 N ATOM 1007 CA ARG A 74 1.073 -7.385 -6.126 1.00 0.00 C ATOM 1008 C ARG A 74 2.542 -7.675 -5.853 1.00 0.00 C ATOM 1009 O ARG A 74 2.896 -8.127 -4.766 1.00 0.00 O ATOM 1010 CB ARG A 74 0.341 -8.654 -6.550 1.00 0.00 C ATOM 1011 CG ARG A 74 0.483 -9.712 -5.460 1.00 0.00 C ATOM 1012 CD ARG A 74 -0.871 -10.368 -5.207 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.709 -11.750 -4.754 1.00 0.00 N ATOM 1014 CZ ARG A 74 -0.568 -12.780 -5.599 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -0.570 -12.566 -6.922 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.425 -14.024 -5.122 1.00 0.00 N ATOM 0 H ARG A 74 0.484 -6.716 -8.013 1.00 0.00 H new ATOM 0 HA ARG A 74 0.620 -7.010 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.713 -8.437 -6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.751 -9.027 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.212 -10.464 -5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.855 -9.256 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.421 -9.798 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.465 -10.349 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.703 -11.937 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.679 -11.619 -7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.463 -13.350 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.423 -14.187 -4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.318 -14.808 -5.766 1.00 0.00 H new ATOM 1030 N LYS A 75 3.398 -7.414 -6.843 1.00 0.00 N ATOM 1031 CA LYS A 75 4.821 -7.649 -6.703 1.00 0.00 C ATOM 1032 C LYS A 75 5.418 -6.645 -5.727 1.00 0.00 C ATOM 1033 O LYS A 75 6.251 -7.003 -4.897 1.00 0.00 O ATOM 1034 CB LYS A 75 5.491 -7.537 -8.070 1.00 0.00 C ATOM 1035 CG LYS A 75 5.579 -8.920 -8.708 1.00 0.00 C ATOM 1036 CD LYS A 75 6.020 -8.783 -10.162 1.00 0.00 C ATOM 1037 CE LYS A 75 5.660 -10.055 -10.925 1.00 0.00 C ATOM 1038 NZ LYS A 75 5.219 -9.742 -12.293 1.00 0.00 N ATOM 0 H LYS A 75 3.121 -7.039 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 75 4.990 -8.652 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.922 -6.864 -8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.488 -7.109 -7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.287 -9.541 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.611 -9.418 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.535 -7.921 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.095 -8.608 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.524 -10.719 -10.960 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.869 -10.588 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.980 -10.623 -12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.381 -9.127 -12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.984 -9.254 -12.801 1.00 0.00 H new ATOM 1052 N TYR A 76 4.990 -5.385 -5.827 1.00 0.00 N ATOM 1053 CA TYR A 76 5.485 -4.339 -4.955 1.00 0.00 C ATOM 1054 C TYR A 76 4.983 -4.568 -3.537 1.00 0.00 C ATOM 1055 O TYR A 76 5.755 -4.498 -2.584 1.00 0.00 O ATOM 1056 CB TYR A 76 5.024 -2.982 -5.479 1.00 0.00 C ATOM 1057 CG TYR A 76 6.159 -2.092 -5.927 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.015 -1.518 -4.979 1.00 0.00 C ATOM 1059 CD2 TYR A 76 6.355 -1.840 -7.290 1.00 0.00 C ATOM 1060 CE1 TYR A 76 8.067 -0.693 -5.394 1.00 0.00 C ATOM 1061 CE2 TYR A 76 7.407 -1.014 -7.705 1.00 0.00 C ATOM 1062 CZ TYR A 76 8.263 -0.441 -6.757 1.00 0.00 C ATOM 1063 OH TYR A 76 9.287 0.364 -7.162 1.00 0.00 O ATOM 0 H TYR A 76 4.299 -5.072 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 76 6.575 -4.358 -4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.342 -3.137 -6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.460 -2.472 -4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.864 -1.712 -3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.695 -2.283 -8.021 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.727 -0.251 -4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 76 7.558 -0.819 -8.756 1.00 0.00 H new ATOM 1073 N ALA A 77 3.684 -4.844 -3.399 1.00 0.00 N ATOM 1074 CA ALA A 77 3.086 -5.081 -2.101 1.00 0.00 C ATOM 1075 C ALA A 77 3.760 -6.270 -1.432 1.00 0.00 C ATOM 1076 O ALA A 77 4.178 -6.182 -0.280 1.00 0.00 O ATOM 1077 CB ALA A 77 1.590 -5.331 -2.269 1.00 0.00 C ATOM 0 H ALA A 77 3.031 -4.907 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 77 3.226 -4.206 -1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.139 -5.509 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.125 -4.459 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.436 -6.203 -2.905 1.00 0.00 H new ATOM 1083 N SER A 78 3.866 -7.385 -2.159 1.00 0.00 N ATOM 1084 CA SER A 78 4.489 -8.583 -1.633 1.00 0.00 C ATOM 1085 C SER A 78 5.915 -8.276 -1.200 1.00 0.00 C ATOM 1086 O SER A 78 6.305 -8.584 -0.076 1.00 0.00 O ATOM 1087 CB SER A 78 4.470 -9.675 -2.699 1.00 0.00 C ATOM 1088 OG SER A 78 3.136 -9.957 -3.058 1.00 0.00 O ATOM 0 H SER A 78 3.524 -7.474 -3.116 1.00 0.00 H new ATOM 0 HA SER A 78 3.935 -8.934 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.033 -9.353 -3.575 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.955 -10.575 -2.321 1.00 0.00 H new ATOM 0 HG SER A 78 2.542 -9.730 -2.313 1.00 0.00 H new ATOM 1094 N SER A 79 6.694 -7.666 -2.096 1.00 0.00 N ATOM 1095 CA SER A 79 8.070 -7.319 -1.801 1.00 0.00 C ATOM 1096 C SER A 79 8.124 -6.411 -0.581 1.00 0.00 C ATOM 1097 O SER A 79 9.104 -6.421 0.161 1.00 0.00 O ATOM 1098 CB SER A 79 8.692 -6.633 -3.014 1.00 0.00 C ATOM 1099 OG SER A 79 9.434 -7.574 -3.757 1.00 0.00 O ATOM 0 H SER A 79 6.386 -7.405 -3.033 1.00 0.00 H new ATOM 0 HA SER A 79 8.637 -8.223 -1.581 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.912 -6.195 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.339 -5.817 -2.692 1.00 0.00 H new ATOM 0 HG SER A 79 9.832 -7.134 -4.537 1.00 0.00 H new ATOM 1105 N MET A 80 7.066 -5.623 -0.373 1.00 0.00 N ATOM 1106 CA MET A 80 7.001 -4.715 0.754 1.00 0.00 C ATOM 1107 C MET A 80 6.892 -5.504 2.050 1.00 0.00 C ATOM 1108 O MET A 80 7.579 -5.202 3.024 1.00 0.00 O ATOM 1109 CB MET A 80 5.804 -3.783 0.587 1.00 0.00 C ATOM 1110 CG MET A 80 6.296 -2.376 0.260 1.00 0.00 C ATOM 1111 SD MET A 80 4.971 -1.151 0.113 1.00 0.00 S ATOM 1112 CE MET A 80 4.041 -1.549 1.613 1.00 0.00 C ATOM 0 H MET A 80 6.245 -5.602 -0.978 1.00 0.00 H new ATOM 0 HA MET A 80 7.910 -4.115 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.155 -4.147 -0.209 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.210 -3.769 1.501 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.990 -2.055 1.037 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.856 -2.406 -0.675 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.595 -0.640 2.016 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.254 -2.264 1.374 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.713 -1.983 2.353 1.00 0.00 H new ATOM 1122 N LEU A 81 6.026 -6.520 2.060 1.00 0.00 N ATOM 1123 CA LEU A 81 5.831 -7.348 3.234 1.00 0.00 C ATOM 1124 C LEU A 81 7.132 -8.053 3.590 1.00 0.00 C ATOM 1125 O LEU A 81 7.600 -7.961 4.723 1.00 0.00 O ATOM 1126 CB LEU A 81 4.724 -8.363 2.962 1.00 0.00 C ATOM 1127 CG LEU A 81 4.683 -9.386 4.093 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.554 -10.584 3.728 1.00 0.00 C ATOM 1129 CD2 LEU A 81 5.208 -8.747 5.376 1.00 0.00 C ATOM 0 H LEU A 81 5.450 -6.783 1.260 1.00 0.00 H new ATOM 0 HA LEU A 81 5.536 -6.725 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.763 -7.856 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.901 -8.864 2.010 1.00 0.00 H new ATOM 0 HG LEU A 81 3.656 -9.717 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.525 -11.315 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.179 -11.041 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.581 -10.254 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.179 -9.477 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.235 -8.415 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.585 -7.891 5.637 1.00 0.00 H new ATOM 1141 N LYS A 82 7.717 -8.758 2.619 1.00 0.00 N ATOM 1142 CA LYS A 82 8.958 -9.473 2.837 1.00 0.00 C ATOM 1143 C LYS A 82 9.973 -8.557 3.506 1.00 0.00 C ATOM 1144 O LYS A 82 10.570 -8.921 4.517 1.00 0.00 O ATOM 1145 CB LYS A 82 9.491 -9.984 1.501 1.00 0.00 C ATOM 1146 CG LYS A 82 9.133 -11.458 1.341 1.00 0.00 C ATOM 1147 CD LYS A 82 7.662 -11.666 1.692 1.00 0.00 C ATOM 1148 CE LYS A 82 7.555 -12.544 2.936 1.00 0.00 C ATOM 1149 NZ LYS A 82 8.200 -13.849 2.718 1.00 0.00 N ATOM 0 H LYS A 82 7.343 -8.844 1.674 1.00 0.00 H new ATOM 0 HA LYS A 82 8.780 -10.325 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.065 -9.404 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.572 -9.854 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.323 -11.780 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.762 -12.068 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.180 -10.705 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.141 -12.134 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.022 -12.040 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.506 -12.691 3.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.850 -14.531 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.976 -14.192 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.230 -13.748 2.817 1.00 0.00 H new ATOM 1163 N HIS A 83 10.167 -7.363 2.941 1.00 0.00 N ATOM 1164 CA HIS A 83 11.109 -6.406 3.487 1.00 0.00 C ATOM 1165 C HIS A 83 10.896 -6.265 4.988 1.00 0.00 C ATOM 1166 O HIS A 83 11.816 -5.899 5.716 1.00 0.00 O ATOM 1167 CB HIS A 83 10.929 -5.061 2.787 1.00 0.00 C ATOM 1168 CG HIS A 83 12.216 -4.524 2.224 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.366 -3.874 1.020 1.00 0.00 N ATOM 1170 CD2 HIS A 83 13.448 -4.594 2.816 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.668 -3.561 0.894 1.00 0.00 C ATOM 1172 NE2 HIS A 83 14.368 -3.978 1.963 1.00 0.00 N ATOM 0 H HIS A 83 9.679 -7.043 2.104 1.00 0.00 H new ATOM 0 HA HIS A 83 12.127 -6.757 3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.202 -5.169 1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.517 -4.340 3.494 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.670 -5.045 3.772 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.094 -3.044 0.047 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.370 -3.867 2.120 1.00 0.00 H new ATOM 1180 N GLY A 84 9.678 -6.557 5.450 1.00 0.00 N ATOM 1181 CA GLY A 84 9.356 -6.460 6.860 1.00 0.00 C ATOM 1182 C GLY A 84 8.570 -5.186 7.135 1.00 0.00 C ATOM 1183 O GLY A 84 8.498 -4.732 8.275 1.00 0.00 O ATOM 0 H GLY A 84 8.903 -6.862 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.774 -7.328 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.272 -6.465 7.451 1.00 0.00 H new ATOM 1187 N PHE A 85 7.981 -4.608 6.086 1.00 0.00 N ATOM 1188 CA PHE A 85 7.205 -3.391 6.221 1.00 0.00 C ATOM 1189 C PHE A 85 5.767 -3.733 6.586 1.00 0.00 C ATOM 1190 O PHE A 85 4.941 -2.841 6.765 1.00 0.00 O ATOM 1191 CB PHE A 85 7.260 -2.607 4.913 1.00 0.00 C ATOM 1192 CG PHE A 85 8.647 -2.130 4.554 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.437 -1.489 5.516 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.141 -2.326 3.259 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.722 -1.045 5.182 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.426 -1.881 2.926 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.217 -1.241 3.888 1.00 0.00 C ATOM 0 H PHE A 85 8.032 -4.971 5.134 1.00 0.00 H new ATOM 0 HA PHE A 85 7.623 -2.775 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.880 -3.234 4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.596 -1.746 4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.055 -1.337 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.531 -2.820 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.332 -0.551 5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.807 -2.031 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.209 -0.899 3.631 1.00 0.00 H new ATOM 1207 N LEU A 86 5.470 -5.030 6.696 1.00 0.00 N ATOM 1208 CA LEU A 86 4.136 -5.483 7.038 1.00 0.00 C ATOM 1209 C LEU A 86 4.220 -6.636 8.028 1.00 0.00 C ATOM 1210 O LEU A 86 5.192 -7.388 8.027 1.00 0.00 O ATOM 1211 CB LEU A 86 3.404 -5.911 5.770 1.00 0.00 C ATOM 1212 CG LEU A 86 2.228 -4.971 5.520 1.00 0.00 C ATOM 1213 CD1 LEU A 86 1.833 -5.030 4.047 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.043 -5.398 6.382 1.00 0.00 C ATOM 0 H LEU A 86 6.144 -5.781 6.551 1.00 0.00 H new ATOM 0 HA LEU A 86 3.581 -4.670 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.086 -5.892 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.049 -6.937 5.871 1.00 0.00 H new ATOM 0 HG LEU A 86 2.517 -3.952 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.993 -4.359 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.679 -4.725 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.545 -6.049 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.203 -4.727 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.754 -6.417 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.324 -5.355 7.434 1.00 0.00 H new ATOM 1226 N ARG A 87 3.197 -6.774 8.874 1.00 0.00 N ATOM 1227 CA ARG A 87 3.160 -7.832 9.863 1.00 0.00 C ATOM 1228 C ARG A 87 1.948 -8.721 9.622 1.00 0.00 C ATOM 1229 O ARG A 87 0.841 -8.225 9.429 1.00 0.00 O ATOM 1230 CB ARG A 87 3.111 -7.219 11.260 1.00 0.00 C ATOM 1231 CG ARG A 87 4.207 -7.836 12.124 1.00 0.00 C ATOM 1232 CD ARG A 87 5.420 -6.910 12.145 1.00 0.00 C ATOM 1233 NE ARG A 87 6.458 -7.424 13.040 1.00 0.00 N ATOM 1234 CZ ARG A 87 7.180 -8.517 12.761 1.00 0.00 C ATOM 1235 NH1 ARG A 87 6.965 -9.189 11.621 1.00 0.00 N ATOM 1236 NH2 ARG A 87 8.116 -8.940 13.621 1.00 0.00 N ATOM 0 H ARG A 87 2.384 -6.159 8.887 1.00 0.00 H new ATOM 0 HA ARG A 87 4.058 -8.445 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.245 -6.139 11.200 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.135 -7.394 11.712 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.840 -7.995 13.138 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.488 -8.813 11.731 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.822 -6.809 11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.116 -5.914 12.469 1.00 0.00 H new ATOM 0 HE ARG A 87 6.639 -6.929 13.913 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.252 -8.868 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.515 -10.021 11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.279 -8.430 14.489 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.665 -9.772 13.408 1.00 0.00 H new ATOM 1250 N HIS A 88 2.160 -10.040 9.634 1.00 0.00 N ATOM 1251 CA HIS A 88 1.084 -10.986 9.415 1.00 0.00 C ATOM 1252 C HIS A 88 0.844 -11.802 10.678 1.00 0.00 C ATOM 1253 O HIS A 88 1.398 -11.496 11.732 1.00 0.00 O ATOM 1254 CB HIS A 88 1.439 -11.896 8.243 1.00 0.00 C ATOM 1255 CG HIS A 88 1.486 -11.161 6.932 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.271 -9.814 6.748 1.00 0.00 N ATOM 1257 CD2 HIS A 88 1.751 -11.712 5.707 1.00 0.00 C ATOM 1258 CE1 HIS A 88 1.405 -9.563 5.433 1.00 0.00 C ATOM 1259 NE2 HIS A 88 1.697 -10.687 4.757 1.00 0.00 N ATOM 0 H HIS A 88 3.072 -10.469 9.794 1.00 0.00 H new ATOM 0 HA HIS A 88 0.167 -10.448 9.177 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.407 -12.361 8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.706 -12.701 8.178 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.051 -9.132 7.474 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.964 -12.752 5.510 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.293 -8.588 4.981 1.00 0.00 H new ATOM 1267 N THR A 89 0.016 -12.843 10.570 1.00 0.00 N ATOM 1268 CA THR A 89 -0.288 -13.694 11.702 1.00 0.00 C ATOM 1269 C THR A 89 0.285 -15.085 11.475 1.00 0.00 C ATOM 1270 O THR A 89 -0.279 -16.076 11.936 1.00 0.00 O ATOM 1271 CB THR A 89 -1.801 -13.758 11.897 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.427 -13.956 10.649 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.291 -12.450 12.511 1.00 0.00 C ATOM 0 H THR A 89 -0.453 -13.110 9.704 1.00 0.00 H new ATOM 0 HA THR A 89 0.166 -13.280 12.603 1.00 0.00 H new ATOM 0 HB THR A 89 -2.047 -14.585 12.562 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.398 -13.998 10.773 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.371 -12.496 12.650 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.807 -12.297 13.476 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.045 -11.622 11.846 1.00 0.00 H new ATOM 1281 N VAL A 90 1.411 -15.158 10.761 1.00 0.00 N ATOM 1282 CA VAL A 90 2.056 -16.424 10.475 1.00 0.00 C ATOM 1283 C VAL A 90 3.384 -16.503 11.214 1.00 0.00 C ATOM 1284 O VAL A 90 3.882 -15.495 11.709 1.00 0.00 O ATOM 1285 CB VAL A 90 2.265 -16.559 8.970 1.00 0.00 C ATOM 1286 CG1 VAL A 90 0.923 -16.430 8.256 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.206 -15.460 8.487 1.00 0.00 C ATOM 0 H VAL A 90 1.890 -14.346 10.372 1.00 0.00 H new ATOM 0 HA VAL A 90 1.424 -17.245 10.815 1.00 0.00 H new ATOM 0 HB VAL A 90 2.701 -17.533 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.072 -16.526 7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.250 -17.215 8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.486 -15.456 8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.356 -15.556 7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.771 -14.485 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.165 -15.552 8.997 1.00 0.00 H new ATOM 1297 N ASN A 91 3.958 -17.707 11.288 1.00 0.00 N ATOM 1298 CA ASN A 91 5.223 -17.908 11.964 1.00 0.00 C ATOM 1299 C ASN A 91 6.197 -16.802 11.584 1.00 0.00 C ATOM 1300 O ASN A 91 7.062 -16.433 12.376 1.00 0.00 O ATOM 1301 CB ASN A 91 5.786 -19.276 11.589 1.00 0.00 C ATOM 1302 CG ASN A 91 5.620 -20.265 12.734 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.375 -19.865 13.871 1.00 0.00 O ATOM 1304 ND2 ASN A 91 5.752 -21.559 12.433 1.00 0.00 N ATOM 0 H ASN A 91 3.558 -18.554 10.884 1.00 0.00 H new ATOM 0 HA ASN A 91 5.071 -17.873 13.043 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.277 -19.652 10.702 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.842 -19.182 11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.649 -22.265 13.162 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.955 -21.841 11.474 1.00 0.00 H new ATOM 1311 N LYS A 92 6.054 -16.272 10.367 1.00 0.00 N ATOM 1312 CA LYS A 92 6.920 -15.212 9.890 1.00 0.00 C ATOM 1313 C LYS A 92 6.088 -14.117 9.239 1.00 0.00 C ATOM 1314 O LYS A 92 5.364 -13.395 9.922 1.00 0.00 O ATOM 1315 CB LYS A 92 7.927 -15.787 8.897 1.00 0.00 C ATOM 1316 CG LYS A 92 8.776 -16.848 9.592 1.00 0.00 C ATOM 1317 CD LYS A 92 10.248 -16.453 9.514 1.00 0.00 C ATOM 1318 CE LYS A 92 11.118 -17.700 9.647 1.00 0.00 C ATOM 1319 NZ LYS A 92 12.371 -17.551 8.892 1.00 0.00 N ATOM 0 H LYS A 92 5.342 -16.566 9.699 1.00 0.00 H new ATOM 0 HA LYS A 92 7.463 -14.777 10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.406 -16.224 8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.564 -14.993 8.508 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.470 -16.949 10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.623 -17.818 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.452 -15.954 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.487 -15.743 10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.342 -17.881 10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.571 -18.570 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.945 -18.412 8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.154 -17.401 7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.901 -16.734 9.257 1.00 0.00 H new ATOM 1333 N ILE A 93 6.192 -13.994 7.914 1.00 0.00 N ATOM 1334 CA ILE A 93 5.450 -12.991 7.176 1.00 0.00 C ATOM 1335 C ILE A 93 4.791 -13.628 5.961 1.00 0.00 C ATOM 1336 O ILE A 93 3.567 -13.719 5.894 1.00 0.00 O ATOM 1337 CB ILE A 93 6.394 -11.869 6.754 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.812 -12.418 6.624 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.372 -10.763 7.806 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.518 -12.329 7.974 1.00 0.00 C ATOM 0 H ILE A 93 6.789 -14.584 7.335 1.00 0.00 H new ATOM 0 HA ILE A 93 4.669 -12.571 7.810 1.00 0.00 H new ATOM 0 HB ILE A 93 6.071 -11.465 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.783 -13.453 6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.365 -11.852 5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.046 -9.961 7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.360 -10.370 7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.694 -11.167 8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.531 -12.721 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.560 -11.288 8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 93 7.968 -12.914 8.711 1.00 0.00 H new ATOM 1352 N THR A 94 5.604 -14.070 5.000 1.00 0.00 N ATOM 1353 CA THR A 94 5.092 -14.695 3.797 1.00 0.00 C ATOM 1354 C THR A 94 3.820 -13.992 3.348 1.00 0.00 C ATOM 1355 O THR A 94 2.727 -14.337 3.792 1.00 0.00 O ATOM 1356 CB THR A 94 4.826 -16.174 4.067 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.696 -16.589 3.334 1.00 0.00 O ATOM 1358 CG2 THR A 94 4.570 -16.381 5.558 1.00 0.00 C ATOM 0 H THR A 94 6.621 -14.003 5.039 1.00 0.00 H new ATOM 0 HA THR A 94 5.829 -14.611 2.999 1.00 0.00 H new ATOM 0 HB THR A 94 5.692 -16.761 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.901 -16.124 3.668 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.380 -17.437 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.444 -16.060 6.125 1.00 0.00 H new ATOM 0 HG23 THR A 94 3.703 -15.795 5.863 1.00 0.00 H new ATOM 1366 N PHE A 95 3.963 -13.002 2.464 1.00 0.00 N ATOM 1367 CA PHE A 95 2.826 -12.258 1.961 1.00 0.00 C ATOM 1368 C PHE A 95 1.677 -13.210 1.661 1.00 0.00 C ATOM 1369 O PHE A 95 1.878 -14.419 1.572 1.00 0.00 O ATOM 1370 CB PHE A 95 3.237 -11.492 0.706 1.00 0.00 C ATOM 1371 CG PHE A 95 2.261 -10.408 0.315 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.103 -9.281 1.131 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.516 -10.528 -0.864 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.200 -8.275 0.768 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.613 -9.523 -1.227 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.455 -8.396 -0.412 1.00 0.00 C ATOM 0 H PHE A 95 4.862 -12.703 2.086 1.00 0.00 H new ATOM 0 HA PHE A 95 2.491 -11.544 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.218 -11.045 0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.339 -12.194 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.678 -9.188 2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.638 -11.397 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.078 -7.406 1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.038 -9.617 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.241 -7.620 -0.693 1.00 0.00 H new ATOM 1386 N SER A 96 0.471 -12.661 1.504 1.00 0.00 N ATOM 1387 CA SER A 96 -0.701 -13.463 1.215 1.00 0.00 C ATOM 1388 C SER A 96 -1.767 -12.600 0.555 1.00 0.00 C ATOM 1389 O SER A 96 -2.097 -12.801 -0.612 1.00 0.00 O ATOM 1390 CB SER A 96 -1.227 -14.079 2.508 1.00 0.00 C ATOM 1391 OG SER A 96 -1.136 -15.484 2.430 1.00 0.00 O ATOM 0 H SER A 96 0.289 -11.660 1.574 1.00 0.00 H new ATOM 0 HA SER A 96 -0.436 -14.266 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.651 -13.713 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.262 -13.779 2.671 1.00 0.00 H new ATOM 0 HG SER A 96 -1.472 -15.880 3.261 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.307 -11.636 1.305 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.329 -10.750 0.787 1.00 0.00 C ATOM 1399 C GLU A 97 -4.704 -11.376 0.975 1.00 0.00 C ATOM 1400 O GLU A 97 -5.609 -11.145 0.176 1.00 0.00 O ATOM 1401 CB GLU A 97 -3.059 -10.471 -0.689 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.623 -9.103 -1.060 1.00 0.00 C ATOM 1403 CD GLU A 97 -4.663 -9.225 -2.164 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.431 -8.616 -3.231 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -5.669 -9.925 -1.921 1.00 0.00 O ATOM 0 H GLU A 97 -2.046 -11.456 2.275 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.306 -9.807 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.987 -10.500 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.517 -11.244 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.072 -8.640 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.815 -8.449 -1.387 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.858 -12.172 2.036 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.119 -12.826 2.323 1.00 0.00 C ATOM 1415 C GLN A 98 -6.409 -12.759 3.816 1.00 0.00 C ATOM 1416 O GLN A 98 -7.527 -12.450 4.220 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.057 -14.276 1.849 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.023 -14.473 0.684 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.721 -15.767 -0.059 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -6.002 -16.624 0.451 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -7.271 -15.906 -1.267 1.00 0.00 N ATOM 0 H GLN A 98 -4.117 -12.374 2.707 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.925 -12.317 1.794 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.042 -14.525 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.315 -14.948 2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -8.048 -14.493 1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.949 -13.629 -0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.861 -15.166 -1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.102 -16.753 -1.810 1.00 0.00 H new ATOM 1430 N CYS A 99 -5.395 -13.049 4.634 1.00 0.00 N ATOM 1431 CA CYS A 99 -5.538 -13.020 6.076 1.00 0.00 C ATOM 1432 C CYS A 99 -5.241 -11.619 6.590 1.00 0.00 C ATOM 1433 O CYS A 99 -4.081 -11.253 6.762 1.00 0.00 O ATOM 1434 CB CYS A 99 -4.591 -14.040 6.702 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.514 -15.030 7.903 1.00 0.00 S ATOM 0 H CYS A 99 -4.463 -13.307 4.311 1.00 0.00 H new ATOM 0 HA CYS A 99 -6.560 -13.280 6.352 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.165 -14.682 5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.759 -13.533 7.190 1.00 0.00 H new ATOM 0 HG CYS A 99 -4.721 -15.906 8.444 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.293 -10.834 6.835 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.136 -9.479 7.325 1.00 0.00 C ATOM 1443 C TYR A 100 -4.875 -9.380 8.173 1.00 0.00 C ATOM 1444 O TYR A 100 -4.706 -10.134 9.128 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.366 -9.088 8.139 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.929 -10.222 8.963 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.848 -11.111 8.394 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.531 -10.383 10.295 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.370 -12.163 9.158 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.053 -11.435 11.059 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.972 -12.324 10.490 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.480 -13.349 11.234 1.00 0.00 O ATOM 0 H TYR A 100 -7.262 -11.122 6.699 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.039 -8.793 6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.106 -8.262 8.801 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.139 -8.723 7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.155 -10.986 7.366 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.822 -9.697 10.734 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.079 -12.849 8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.746 -11.560 12.087 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.099 -13.318 12.137 1.00 0.00 H new ATOM 1462 N TYR A 101 -3.989 -8.445 7.821 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.751 -8.255 8.549 1.00 0.00 C ATOM 1464 C TYR A 101 -2.609 -6.795 8.954 1.00 0.00 C ATOM 1465 O TYR A 101 -3.514 -5.995 8.727 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.577 -8.690 7.676 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.517 -10.182 7.447 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -1.897 -11.062 8.467 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -1.081 -10.684 6.215 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.842 -12.445 8.255 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -1.026 -12.067 6.003 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.406 -12.947 7.023 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.353 -14.294 6.816 1.00 0.00 O ATOM 0 H TYR A 101 -4.115 -7.810 7.032 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.760 -8.863 9.454 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.644 -8.185 6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.647 -8.364 8.142 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.233 -10.674 9.418 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.787 -10.005 5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.136 -13.124 9.042 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.690 -12.455 5.052 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.030 -14.473 5.908 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.469 -6.449 9.556 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.215 -5.090 9.989 1.00 0.00 C ATOM 1485 C VAL A 102 0.274 -4.787 9.888 1.00 0.00 C ATOM 1486 O VAL A 102 1.104 -5.661 10.129 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.707 -4.913 11.423 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.718 -4.047 12.197 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -3.075 -4.236 11.411 1.00 0.00 C ATOM 0 H VAL A 102 -0.709 -7.101 9.751 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.752 -4.393 9.346 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.788 -5.889 11.902 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.069 -3.920 13.221 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.259 -4.530 12.205 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.636 -3.071 11.718 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.427 -4.109 12.435 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.994 -3.260 10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.782 -4.854 10.858 1.00 0.00 H new ATOM 1499 N PHE A 103 0.610 -3.546 9.531 1.00 0.00 N ATOM 1500 CA PHE A 103 1.994 -3.138 9.402 1.00 0.00 C ATOM 1501 C PHE A 103 2.835 -3.815 10.475 1.00 0.00 C ATOM 1502 O PHE A 103 2.305 -4.269 11.487 1.00 0.00 O ATOM 1503 CB PHE A 103 2.089 -1.619 9.519 1.00 0.00 C ATOM 1504 CG PHE A 103 1.325 -1.056 10.694 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.684 -1.417 11.999 1.00 0.00 C ATOM 1506 CD2 PHE A 103 0.257 -0.177 10.480 1.00 0.00 C ATOM 1507 CE1 PHE A 103 0.975 -0.897 13.089 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.452 0.343 11.569 1.00 0.00 C ATOM 1509 CZ PHE A 103 -0.093 -0.017 12.874 1.00 0.00 C ATOM 0 H PHE A 103 -0.066 -2.810 9.327 1.00 0.00 H new ATOM 0 HA PHE A 103 2.376 -3.439 8.426 1.00 0.00 H new ATOM 0 HB2 PHE A 103 3.137 -1.334 9.607 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.712 -1.168 8.601 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.507 -2.096 12.164 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.020 0.100 9.474 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.252 -1.175 14.095 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.276 1.022 11.403 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.640 0.384 13.715 1.00 0.00 H new ATOM 1519 N GLY A 104 4.150 -3.883 10.253 1.00 0.00 N ATOM 1520 CA GLY A 104 5.050 -4.505 11.202 1.00 0.00 C ATOM 1521 C GLY A 104 6.310 -3.666 11.362 1.00 0.00 C ATOM 1522 O GLY A 104 6.365 -2.529 10.898 1.00 0.00 O ATOM 0 H GLY A 104 4.607 -3.512 9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.553 -4.615 12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.313 -5.507 10.862 1.00 0.00 H new ATOM 1526 N ASP A 105 7.325 -4.230 12.021 1.00 0.00 N ATOM 1527 CA ASP A 105 8.576 -3.532 12.239 1.00 0.00 C ATOM 1528 C ASP A 105 9.604 -4.490 12.824 1.00 0.00 C ATOM 1529 O ASP A 105 9.792 -4.536 14.038 1.00 0.00 O ATOM 1530 CB ASP A 105 8.342 -2.351 13.177 1.00 0.00 C ATOM 1531 CG ASP A 105 9.544 -1.417 13.185 1.00 0.00 C ATOM 1532 OD1 ASP A 105 10.672 -1.943 13.299 1.00 0.00 O ATOM 1533 OD2 ASP A 105 9.312 -0.193 13.076 1.00 0.00 O ATOM 0 H ASP A 105 7.296 -5.172 12.411 1.00 0.00 H new ATOM 0 HA ASP A 105 8.958 -3.155 11.290 1.00 0.00 H new ATOM 0 HB2 ASP A 105 7.453 -1.803 12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.153 -2.715 14.187 1.00 0.00 H new