USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 418 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 Single : A 1 GLU N :NH3+ -171:sc= -0.133 (180deg=-0.307) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.897 USER MOD Single : A 9 TYR OH : rot -100:sc= -2.56 USER MOD Single : A 10 LYS NZ :NH3+ 155:sc= 0.664 (180deg=-0.189!) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -2.73! (180deg=-3.05!) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.398 (180deg=-1.84!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.135 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc=-0.00938 (180deg=-0.295) USER MOD Single : A 26 THR OG1 : rot 81:sc= 1.06 USER MOD Single : A 27 SER OG : rot 180:sc= -0.234 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00766 USER MOD Single : A 34 SER OG : rot 160:sc= -0.805 USER MOD Single : A 37 GLN : amide:sc= -3.95! C(o=-3.9!,f=-4.9!) USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.573) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 41:sc= 0.0969 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -150:sc= -0.186 USER MOD Single : A 52 THR OG1 : rot -150:sc= -3.48! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.742 -28.291 12.719 1.00 0.00 N ATOM 2 CA GLU A 1 -0.200 -28.146 11.573 1.00 0.00 C ATOM 3 C GLU A 1 0.197 -26.929 10.746 1.00 0.00 C ATOM 4 O GLU A 1 -0.228 -26.780 9.600 1.00 0.00 O ATOM 5 CB GLU A 1 -1.624 -27.977 12.107 1.00 0.00 C ATOM 6 CG GLU A 1 -2.624 -28.203 10.971 1.00 0.00 C ATOM 7 CD GLU A 1 -3.000 -29.679 10.893 1.00 0.00 C ATOM 8 OE1 GLU A 1 -3.197 -30.162 9.790 1.00 0.00 O ATOM 9 OE2 GLU A 1 -3.085 -30.305 11.936 1.00 0.00 O ATOM 0 H1 GLU A 1 0.571 -29.199 13.196 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.721 -28.262 12.369 1.00 0.00 H new ATOM 0 H3 GLU A 1 0.592 -27.513 13.392 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.158 -29.035 10.943 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -1.808 -28.686 12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -1.751 -26.978 12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -3.517 -27.600 11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -2.191 -27.879 10.025 1.00 0.00 H new ATOM 18 N VAL A 2 1.016 -26.062 11.332 1.00 0.00 N ATOM 19 CA VAL A 2 1.468 -24.861 10.641 1.00 0.00 C ATOM 20 C VAL A 2 0.296 -23.922 10.359 1.00 0.00 C ATOM 21 O VAL A 2 -0.280 -23.345 11.281 1.00 0.00 O ATOM 22 CB VAL A 2 2.158 -25.244 9.329 1.00 0.00 C ATOM 23 CG1 VAL A 2 2.794 -24.000 8.706 1.00 0.00 C ATOM 24 CG2 VAL A 2 3.250 -26.280 9.612 1.00 0.00 C ATOM 0 H VAL A 2 1.379 -26.168 12.279 1.00 0.00 H new ATOM 0 HA VAL A 2 2.178 -24.340 11.284 1.00 0.00 H new ATOM 0 HB VAL A 2 1.423 -25.663 8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.286 -24.272 7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.021 -23.257 8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.529 -23.583 9.395 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.742 -26.554 8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.983 -25.857 10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.803 -27.167 10.060 1.00 0.00 H new ATOM 34 N ILE A 3 -0.046 -23.767 9.084 1.00 0.00 N ATOM 35 CA ILE A 3 -1.146 -22.890 8.699 1.00 0.00 C ATOM 36 C ILE A 3 -1.578 -23.180 7.264 1.00 0.00 C ATOM 37 O ILE A 3 -0.902 -23.905 6.535 1.00 0.00 O ATOM 38 CB ILE A 3 -0.706 -21.423 8.830 1.00 0.00 C ATOM 39 CG1 ILE A 3 -1.867 -20.584 9.368 1.00 0.00 C ATOM 40 CG2 ILE A 3 -0.281 -20.876 7.465 1.00 0.00 C ATOM 41 CD1 ILE A 3 -1.456 -19.111 9.394 1.00 0.00 C ATOM 0 H ILE A 3 0.419 -24.233 8.305 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.993 -23.072 9.360 1.00 0.00 H new ATOM 0 HB ILE A 3 0.138 -21.369 9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.748 -20.717 8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.137 -20.916 10.371 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.029 -19.836 7.570 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.551 -21.465 7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.120 -20.936 6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.281 -18.510 9.777 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.587 -18.987 10.040 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.207 -18.785 8.384 1.00 0.00 H new ATOM 53 N LYS A 4 -2.706 -22.603 6.866 1.00 0.00 N ATOM 54 CA LYS A 4 -3.219 -22.798 5.515 1.00 0.00 C ATOM 55 C LYS A 4 -3.369 -21.454 4.812 1.00 0.00 C ATOM 56 O LYS A 4 -4.293 -20.693 5.097 1.00 0.00 O ATOM 57 CB LYS A 4 -4.573 -23.505 5.575 1.00 0.00 C ATOM 58 CG LYS A 4 -4.947 -24.017 4.184 1.00 0.00 C ATOM 59 CD LYS A 4 -6.257 -24.801 4.269 1.00 0.00 C ATOM 60 CE LYS A 4 -7.084 -24.553 3.005 1.00 0.00 C ATOM 61 NZ LYS A 4 -8.137 -25.600 2.888 1.00 0.00 N ATOM 0 H LYS A 4 -3.280 -22.000 7.455 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.516 -23.413 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.530 -24.335 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.337 -22.818 5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.054 -23.181 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.154 -24.654 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.050 -25.866 4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.820 -24.494 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.542 -23.565 3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.439 -24.571 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.699 -25.432 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.690 -26.537 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.758 -25.562 3.721 1.00 0.00 H new ATOM 75 N LYS A 5 -2.448 -21.167 3.897 1.00 0.00 N ATOM 76 CA LYS A 5 -2.484 -19.905 3.166 1.00 0.00 C ATOM 77 C LYS A 5 -2.615 -20.151 1.667 1.00 0.00 C ATOM 78 O LYS A 5 -1.650 -20.532 1.004 1.00 0.00 O ATOM 79 CB LYS A 5 -1.207 -19.109 3.443 1.00 0.00 C ATOM 80 CG LYS A 5 -1.457 -17.626 3.167 1.00 0.00 C ATOM 81 CD LYS A 5 -1.836 -16.921 4.471 1.00 0.00 C ATOM 82 CE LYS A 5 -2.019 -15.425 4.208 1.00 0.00 C ATOM 83 NZ LYS A 5 -2.256 -14.718 5.499 1.00 0.00 N ATOM 0 H LYS A 5 -1.675 -21.784 3.646 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.351 -19.337 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.896 -19.249 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.395 -19.474 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.564 -17.169 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.255 -17.511 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.756 -17.346 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.060 -17.077 5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.134 -15.020 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.860 -15.264 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.380 -13.701 5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.113 -15.097 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.441 -14.862 6.128 1.00 0.00 H new ATOM 97 N ASP A 6 -3.813 -19.925 1.139 1.00 0.00 N ATOM 98 CA ASP A 6 -4.062 -20.121 -0.283 1.00 0.00 C ATOM 99 C ASP A 6 -4.827 -18.938 -0.863 1.00 0.00 C ATOM 100 O ASP A 6 -5.774 -18.439 -0.253 1.00 0.00 O ATOM 101 CB ASP A 6 -4.868 -21.404 -0.498 1.00 0.00 C ATOM 102 CG ASP A 6 -6.257 -21.251 0.109 1.00 0.00 C ATOM 103 OD1 ASP A 6 -6.531 -21.922 1.091 1.00 0.00 O ATOM 104 OD2 ASP A 6 -7.029 -20.464 -0.415 1.00 0.00 O ATOM 0 H ASP A 6 -4.623 -19.608 1.672 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.102 -20.202 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.949 -21.619 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.353 -22.249 -0.041 1.00 0.00 H new ATOM 109 N THR A 7 -4.415 -18.494 -2.046 1.00 0.00 N ATOM 110 CA THR A 7 -5.077 -17.370 -2.698 1.00 0.00 C ATOM 111 C THR A 7 -5.731 -17.823 -4.003 1.00 0.00 C ATOM 112 O THR A 7 -5.442 -18.913 -4.498 1.00 0.00 O ATOM 113 CB THR A 7 -4.065 -16.259 -2.990 1.00 0.00 C ATOM 114 OG1 THR A 7 -4.163 -15.880 -4.356 1.00 0.00 O ATOM 115 CG2 THR A 7 -2.651 -16.762 -2.698 1.00 0.00 C ATOM 0 H THR A 7 -3.634 -18.891 -2.568 1.00 0.00 H new ATOM 0 HA THR A 7 -5.847 -16.987 -2.028 1.00 0.00 H new ATOM 0 HB THR A 7 -4.278 -15.398 -2.357 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.517 -15.168 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.933 -15.969 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.577 -17.052 -1.650 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.434 -17.624 -3.329 1.00 0.00 H new ATOM 123 N PRO A 8 -6.596 -17.019 -4.571 1.00 0.00 N ATOM 124 CA PRO A 8 -7.291 -17.349 -5.838 1.00 0.00 C ATOM 125 C PRO A 8 -6.600 -16.725 -7.047 1.00 0.00 C ATOM 126 O PRO A 8 -6.025 -15.640 -6.952 1.00 0.00 O ATOM 127 CB PRO A 8 -8.653 -16.703 -5.616 1.00 0.00 C ATOM 128 CG PRO A 8 -8.359 -15.461 -4.825 1.00 0.00 C ATOM 129 CD PRO A 8 -7.036 -15.704 -4.076 1.00 0.00 C ATOM 0 HA PRO A 8 -7.319 -18.418 -6.049 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.138 -16.465 -6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.324 -17.369 -5.073 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.276 -14.596 -5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.166 -15.251 -4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.303 -14.927 -4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.182 -15.710 -2.996 1.00 0.00 H new ATOM 137 N TYR A 9 -6.656 -17.415 -8.182 1.00 0.00 N ATOM 138 CA TYR A 9 -6.025 -16.909 -9.394 1.00 0.00 C ATOM 139 C TYR A 9 -7.067 -16.318 -10.340 1.00 0.00 C ATOM 140 O TYR A 9 -7.093 -15.110 -10.571 1.00 0.00 O ATOM 141 CB TYR A 9 -5.265 -18.033 -10.098 1.00 0.00 C ATOM 142 CG TYR A 9 -4.249 -17.438 -11.040 1.00 0.00 C ATOM 143 CD1 TYR A 9 -3.222 -16.629 -10.540 1.00 0.00 C ATOM 144 CD2 TYR A 9 -4.331 -17.694 -12.415 1.00 0.00 C ATOM 145 CE1 TYR A 9 -2.277 -16.077 -11.413 1.00 0.00 C ATOM 146 CE2 TYR A 9 -3.386 -17.142 -13.288 1.00 0.00 C ATOM 147 CZ TYR A 9 -2.359 -16.333 -12.786 1.00 0.00 C ATOM 148 OH TYR A 9 -1.427 -15.789 -13.646 1.00 0.00 O ATOM 0 H TYR A 9 -7.126 -18.314 -8.287 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.325 -16.122 -9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.768 -18.667 -9.363 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.960 -18.667 -10.648 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.159 -16.431 -9.480 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.124 -18.317 -12.802 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.484 -15.453 -11.027 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.449 -17.340 -14.348 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.806 -14.996 -14.080 1.00 0.00 H new ATOM 158 N LYS A 10 -7.923 -17.175 -10.887 1.00 0.00 N ATOM 159 CA LYS A 10 -8.959 -16.719 -11.809 1.00 0.00 C ATOM 160 C LYS A 10 -8.381 -15.719 -12.808 1.00 0.00 C ATOM 161 O LYS A 10 -9.120 -15.082 -13.558 1.00 0.00 O ATOM 162 CB LYS A 10 -10.101 -16.062 -11.032 1.00 0.00 C ATOM 163 CG LYS A 10 -10.463 -16.930 -9.826 1.00 0.00 C ATOM 164 CD LYS A 10 -11.027 -18.266 -10.311 1.00 0.00 C ATOM 165 CE LYS A 10 -11.587 -19.048 -9.121 1.00 0.00 C ATOM 166 NZ LYS A 10 -10.614 -20.102 -8.718 1.00 0.00 N ATOM 0 H LYS A 10 -7.921 -18.180 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.341 -17.583 -12.352 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.805 -15.067 -10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.970 -15.938 -11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.581 -17.098 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.196 -16.418 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.811 -18.095 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.246 -18.845 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.776 -18.374 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.542 -19.502 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.756 -20.341 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.761 -20.951 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.645 -19.751 -8.856 1.00 0.00 H new ATOM 180 N LYS A 11 -7.058 -15.589 -12.810 1.00 0.00 N ATOM 181 CA LYS A 11 -6.390 -14.665 -13.720 1.00 0.00 C ATOM 182 C LYS A 11 -6.541 -15.132 -15.164 1.00 0.00 C ATOM 183 O LYS A 11 -7.020 -14.390 -16.021 1.00 0.00 O ATOM 184 CB LYS A 11 -4.905 -14.569 -13.362 1.00 0.00 C ATOM 185 CG LYS A 11 -4.543 -13.116 -13.038 1.00 0.00 C ATOM 186 CD LYS A 11 -5.091 -12.750 -11.656 1.00 0.00 C ATOM 187 CE LYS A 11 -3.930 -12.563 -10.677 1.00 0.00 C ATOM 188 NZ LYS A 11 -3.255 -13.873 -10.451 1.00 0.00 N ATOM 0 H LYS A 11 -6.431 -16.108 -12.196 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.853 -13.683 -13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.686 -15.208 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.297 -14.929 -14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.461 -12.986 -13.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.958 -12.449 -13.794 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.679 -11.834 -11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.759 -13.534 -11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.219 -11.839 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.298 -12.163 -9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.697 -13.829 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.971 -14.623 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.626 -14.082 -11.252 1.00 0.00 H new ATOM 202 N ARG A 12 -6.128 -16.369 -15.423 1.00 0.00 N ATOM 203 CA ARG A 12 -6.219 -16.931 -16.766 1.00 0.00 C ATOM 204 C ARG A 12 -5.754 -15.919 -17.808 1.00 0.00 C ATOM 205 O ARG A 12 -6.548 -15.129 -18.320 1.00 0.00 O ATOM 206 CB ARG A 12 -7.661 -17.347 -17.065 1.00 0.00 C ATOM 207 CG ARG A 12 -7.665 -18.414 -18.163 1.00 0.00 C ATOM 208 CD ARG A 12 -9.106 -18.812 -18.487 1.00 0.00 C ATOM 209 NE ARG A 12 -9.419 -18.487 -19.874 1.00 0.00 N ATOM 210 CZ ARG A 12 -10.675 -18.307 -20.271 1.00 0.00 C ATOM 211 NH1 ARG A 12 -10.931 -18.015 -21.516 1.00 0.00 N ATOM 212 NH2 ARG A 12 -11.652 -18.423 -19.415 1.00 0.00 N ATOM 0 H ARG A 12 -5.730 -16.998 -14.726 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.571 -17.806 -16.813 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.133 -17.736 -16.163 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.243 -16.481 -17.382 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.173 -18.032 -19.057 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.100 -19.288 -17.837 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.243 -19.880 -18.316 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.793 -18.292 -17.820 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.661 -18.396 -20.551 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.167 -17.925 -22.186 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.895 -17.877 -21.820 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.452 -18.652 -18.441 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.616 -18.285 -19.719 1.00 0.00 H new ATOM 226 N LYS A 13 -4.462 -15.950 -18.119 1.00 0.00 N ATOM 227 CA LYS A 13 -3.899 -15.034 -19.104 1.00 0.00 C ATOM 228 C LYS A 13 -2.679 -15.657 -19.775 1.00 0.00 C ATOM 229 O LYS A 13 -2.810 -16.433 -20.722 1.00 0.00 O ATOM 230 CB LYS A 13 -3.504 -13.718 -18.428 1.00 0.00 C ATOM 231 CG LYS A 13 -3.034 -12.719 -19.488 1.00 0.00 C ATOM 232 CD LYS A 13 -4.144 -12.504 -20.519 1.00 0.00 C ATOM 233 CE LYS A 13 -4.075 -11.072 -21.052 1.00 0.00 C ATOM 234 NZ LYS A 13 -2.655 -10.617 -21.076 1.00 0.00 N ATOM 0 H LYS A 13 -3.789 -16.595 -17.706 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.654 -14.835 -19.865 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.353 -13.310 -17.880 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.710 -13.894 -17.702 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.772 -11.771 -19.018 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.135 -13.091 -19.979 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.036 -13.214 -21.339 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.118 -12.688 -20.065 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.500 -11.025 -22.055 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.669 -10.410 -20.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.545 -9.858 -21.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.389 -10.259 -20.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.039 -11.416 -21.330 1.00 0.00 H new ATOM 248 N PHE A 14 -1.493 -15.312 -19.283 1.00 0.00 N ATOM 249 CA PHE A 14 -0.260 -15.846 -19.852 1.00 0.00 C ATOM 250 C PHE A 14 0.434 -16.782 -18.865 1.00 0.00 C ATOM 251 O PHE A 14 0.821 -17.895 -19.221 1.00 0.00 O ATOM 252 CB PHE A 14 0.683 -14.696 -20.226 1.00 0.00 C ATOM 253 CG PHE A 14 0.893 -14.676 -21.722 1.00 0.00 C ATOM 254 CD1 PHE A 14 2.187 -14.561 -22.246 1.00 0.00 C ATOM 255 CD2 PHE A 14 -0.205 -14.770 -22.585 1.00 0.00 C ATOM 256 CE1 PHE A 14 2.382 -14.542 -23.632 1.00 0.00 C ATOM 257 CE2 PHE A 14 -0.010 -14.751 -23.971 1.00 0.00 C ATOM 258 CZ PHE A 14 1.282 -14.637 -24.495 1.00 0.00 C ATOM 0 H PHE A 14 -1.360 -14.672 -18.500 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.513 -16.414 -20.747 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.263 -13.746 -19.895 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.639 -14.816 -19.716 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.034 -14.487 -21.581 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.203 -14.857 -22.181 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.380 -14.454 -24.036 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.858 -14.824 -24.636 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.432 -14.622 -25.564 1.00 0.00 H new ATOM 268 N PRO A 15 0.604 -16.351 -17.642 1.00 0.00 N ATOM 269 CA PRO A 15 1.268 -17.156 -16.586 1.00 0.00 C ATOM 270 C PRO A 15 0.292 -18.078 -15.859 1.00 0.00 C ATOM 271 O PRO A 15 -0.879 -18.176 -16.229 1.00 0.00 O ATOM 272 CB PRO A 15 1.821 -16.092 -15.641 1.00 0.00 C ATOM 273 CG PRO A 15 0.902 -14.916 -15.775 1.00 0.00 C ATOM 274 CD PRO A 15 0.180 -15.043 -17.125 1.00 0.00 C ATOM 0 HA PRO A 15 2.029 -17.824 -16.989 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.845 -16.455 -14.614 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.843 -15.823 -15.909 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.183 -14.897 -14.956 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.464 -13.983 -15.727 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.902 -14.995 -17.003 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.460 -14.237 -17.803 1.00 0.00 H new ATOM 282 N TYR A 16 0.784 -18.751 -14.825 1.00 0.00 N ATOM 283 CA TYR A 16 -0.048 -19.663 -14.051 1.00 0.00 C ATOM 284 C TYR A 16 0.792 -20.397 -13.009 1.00 0.00 C ATOM 285 O TYR A 16 0.506 -21.543 -12.663 1.00 0.00 O ATOM 286 CB TYR A 16 -0.713 -20.680 -14.980 1.00 0.00 C ATOM 287 CG TYR A 16 0.118 -20.838 -16.230 1.00 0.00 C ATOM 288 CD1 TYR A 16 -0.501 -20.859 -17.484 1.00 0.00 C ATOM 289 CD2 TYR A 16 1.509 -20.965 -16.133 1.00 0.00 C ATOM 290 CE1 TYR A 16 0.271 -21.007 -18.643 1.00 0.00 C ATOM 291 CE2 TYR A 16 2.281 -21.112 -17.292 1.00 0.00 C ATOM 292 CZ TYR A 16 1.661 -21.134 -18.548 1.00 0.00 C ATOM 293 OH TYR A 16 2.421 -21.280 -19.690 1.00 0.00 O ATOM 0 H TYR A 16 1.750 -18.683 -14.505 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.816 -19.081 -13.541 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.814 -21.640 -14.474 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.719 -20.349 -15.239 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.574 -20.761 -17.558 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.986 -20.950 -15.164 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.207 -21.023 -19.611 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.354 -21.208 -17.218 1.00 0.00 H new ATOM 0 HH TYR A 16 3.367 -21.354 -19.446 1.00 0.00 H new ATOM 303 N LYS A 17 1.831 -19.729 -12.516 1.00 0.00 N ATOM 304 CA LYS A 17 2.708 -20.326 -11.517 1.00 0.00 C ATOM 305 C LYS A 17 3.191 -19.267 -10.532 1.00 0.00 C ATOM 306 O LYS A 17 2.678 -19.162 -9.418 1.00 0.00 O ATOM 307 CB LYS A 17 3.914 -20.975 -12.202 1.00 0.00 C ATOM 308 CG LYS A 17 4.091 -22.404 -11.684 1.00 0.00 C ATOM 309 CD LYS A 17 5.174 -23.112 -12.501 1.00 0.00 C ATOM 310 CE LYS A 17 4.715 -24.534 -12.833 1.00 0.00 C ATOM 311 NZ LYS A 17 5.861 -25.308 -13.389 1.00 0.00 N ATOM 0 H LYS A 17 2.084 -18.780 -12.791 1.00 0.00 H new ATOM 0 HA LYS A 17 2.147 -21.086 -10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.770 -20.984 -13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.814 -20.392 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.368 -22.388 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.150 -22.949 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.372 -22.559 -13.419 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.107 -23.142 -11.939 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.333 -25.023 -11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.898 -24.505 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.550 -26.274 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.206 -24.844 -14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.627 -25.346 -12.687 1.00 0.00 H new ATOM 325 N SER A 18 4.177 -18.481 -10.952 1.00 0.00 N ATOM 326 CA SER A 18 4.716 -17.429 -10.098 1.00 0.00 C ATOM 327 C SER A 18 3.681 -16.327 -9.901 1.00 0.00 C ATOM 328 O SER A 18 3.717 -15.597 -8.910 1.00 0.00 O ATOM 329 CB SER A 18 5.982 -16.841 -10.722 1.00 0.00 C ATOM 330 OG SER A 18 5.976 -17.089 -12.121 1.00 0.00 O ATOM 0 H SER A 18 4.616 -18.551 -11.870 1.00 0.00 H new ATOM 0 HA SER A 18 4.963 -17.862 -9.129 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.031 -15.769 -10.532 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.866 -17.286 -10.266 1.00 0.00 H new ATOM 0 HG SER A 18 6.786 -16.711 -12.524 1.00 0.00 H new ATOM 336 N GLU A 19 2.755 -16.219 -10.848 1.00 0.00 N ATOM 337 CA GLU A 19 1.708 -15.208 -10.770 1.00 0.00 C ATOM 338 C GLU A 19 0.659 -15.616 -9.740 1.00 0.00 C ATOM 339 O GLU A 19 -0.116 -14.786 -9.263 1.00 0.00 O ATOM 340 CB GLU A 19 1.046 -15.036 -12.139 1.00 0.00 C ATOM 341 CG GLU A 19 0.281 -13.713 -12.174 1.00 0.00 C ATOM 342 CD GLU A 19 1.077 -12.675 -12.957 1.00 0.00 C ATOM 343 OE1 GLU A 19 0.458 -11.869 -13.632 1.00 0.00 O ATOM 344 OE2 GLU A 19 2.293 -12.702 -12.872 1.00 0.00 O ATOM 0 H GLU A 19 2.708 -16.816 -11.674 1.00 0.00 H new ATOM 0 HA GLU A 19 2.156 -14.262 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.802 -15.052 -12.925 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.367 -15.866 -12.333 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.696 -13.859 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.104 -13.358 -11.159 1.00 0.00 H new ATOM 351 N CYS A 20 0.650 -16.899 -9.398 1.00 0.00 N ATOM 352 CA CYS A 20 -0.295 -17.420 -8.417 1.00 0.00 C ATOM 353 C CYS A 20 0.302 -17.310 -7.022 1.00 0.00 C ATOM 354 O CYS A 20 -0.414 -17.165 -6.033 1.00 0.00 O ATOM 355 CB CYS A 20 -0.604 -18.886 -8.730 1.00 0.00 C ATOM 356 SG CYS A 20 -2.393 -19.175 -8.658 1.00 0.00 S ATOM 0 H CYS A 20 1.285 -17.597 -9.785 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.216 -16.839 -8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.226 -19.142 -9.720 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.094 -19.534 -8.017 1.00 0.00 H new ATOM 361 N LEU A 21 1.627 -17.373 -6.962 1.00 0.00 N ATOM 362 CA LEU A 21 2.334 -17.271 -5.695 1.00 0.00 C ATOM 363 C LEU A 21 2.656 -15.812 -5.396 1.00 0.00 C ATOM 364 O LEU A 21 2.663 -15.389 -4.240 1.00 0.00 O ATOM 365 CB LEU A 21 3.629 -18.084 -5.763 1.00 0.00 C ATOM 366 CG LEU A 21 4.615 -17.582 -4.707 1.00 0.00 C ATOM 367 CD1 LEU A 21 5.566 -18.717 -4.329 1.00 0.00 C ATOM 368 CD2 LEU A 21 5.422 -16.409 -5.271 1.00 0.00 C ATOM 0 H LEU A 21 2.231 -17.494 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 21 1.702 -17.665 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.415 -19.140 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.071 -17.998 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 21 4.067 -17.251 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.272 -18.365 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.993 -19.553 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.112 -19.044 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.124 -16.054 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.973 -16.737 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.745 -15.600 -5.546 1.00 0.00 H new ATOM 380 N LYS A 22 2.919 -15.049 -6.450 1.00 0.00 N ATOM 381 CA LYS A 22 3.236 -13.637 -6.299 1.00 0.00 C ATOM 382 C LYS A 22 2.164 -12.943 -5.467 1.00 0.00 C ATOM 383 O LYS A 22 2.449 -11.992 -4.739 1.00 0.00 O ATOM 384 CB LYS A 22 3.334 -12.975 -7.674 1.00 0.00 C ATOM 385 CG LYS A 22 4.806 -12.771 -8.038 1.00 0.00 C ATOM 386 CD LYS A 22 5.310 -11.469 -7.412 1.00 0.00 C ATOM 387 CE LYS A 22 6.791 -11.281 -7.743 1.00 0.00 C ATOM 388 NZ LYS A 22 6.943 -11.015 -9.202 1.00 0.00 N ATOM 0 H LYS A 22 2.919 -15.384 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 22 4.194 -13.545 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.846 -13.597 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.814 -12.017 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.400 -13.612 -7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.922 -12.735 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.733 -10.625 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.169 -11.495 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.201 -10.452 -7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.353 -12.172 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.889 -10.624 -9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.826 -11.903 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.221 -10.332 -9.507 1.00 0.00 H new ATOM 402 N ALA A 23 0.932 -13.433 -5.573 1.00 0.00 N ATOM 403 CA ALA A 23 -0.172 -12.856 -4.816 1.00 0.00 C ATOM 404 C ALA A 23 -0.119 -13.333 -3.369 1.00 0.00 C ATOM 405 O ALA A 23 -0.334 -12.553 -2.440 1.00 0.00 O ATOM 406 CB ALA A 23 -1.507 -13.260 -5.443 1.00 0.00 C ATOM 0 H ALA A 23 0.676 -14.220 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.082 -11.770 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.325 -12.824 -4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.551 -12.899 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.598 -14.346 -5.436 1.00 0.00 H new ATOM 412 N CYS A 24 0.175 -14.617 -3.184 1.00 0.00 N ATOM 413 CA CYS A 24 0.260 -15.182 -1.842 1.00 0.00 C ATOM 414 C CYS A 24 1.164 -14.322 -0.966 1.00 0.00 C ATOM 415 O CYS A 24 0.817 -13.994 0.169 1.00 0.00 O ATOM 416 CB CYS A 24 0.809 -16.609 -1.904 1.00 0.00 C ATOM 417 SG CYS A 24 -0.215 -17.694 -0.877 1.00 0.00 S ATOM 0 H CYS A 24 0.357 -15.279 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.740 -15.203 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.814 -16.964 -2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.842 -16.628 -1.555 1.00 0.00 H new ATOM 422 N ALA A 25 2.321 -13.950 -1.505 1.00 0.00 N ATOM 423 CA ALA A 25 3.262 -13.118 -0.768 1.00 0.00 C ATOM 424 C ALA A 25 2.666 -11.734 -0.539 1.00 0.00 C ATOM 425 O ALA A 25 3.123 -10.979 0.320 1.00 0.00 O ATOM 426 CB ALA A 25 4.573 -12.992 -1.547 1.00 0.00 C ATOM 0 H ALA A 25 2.627 -14.210 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 25 3.463 -13.585 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.270 -12.368 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.007 -13.981 -1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.377 -12.537 -2.518 1.00 0.00 H new ATOM 432 N THR A 26 1.635 -11.413 -1.314 1.00 0.00 N ATOM 433 CA THR A 26 0.971 -10.122 -1.193 1.00 0.00 C ATOM 434 C THR A 26 -0.211 -10.222 -0.234 1.00 0.00 C ATOM 435 O THR A 26 -0.742 -9.209 0.222 1.00 0.00 O ATOM 436 CB THR A 26 0.483 -9.656 -2.568 1.00 0.00 C ATOM 437 OG1 THR A 26 1.565 -9.692 -3.488 1.00 0.00 O ATOM 438 CG2 THR A 26 -0.056 -8.229 -2.467 1.00 0.00 C ATOM 0 H THR A 26 1.243 -12.026 -2.029 1.00 0.00 H new ATOM 0 HA THR A 26 1.684 -9.398 -0.799 1.00 0.00 H new ATOM 0 HB THR A 26 -0.312 -10.316 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.688 -10.608 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.402 -7.901 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.886 -8.203 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.736 -7.565 -2.121 1.00 0.00 H new ATOM 446 N SER A 27 -0.615 -11.452 0.068 1.00 0.00 N ATOM 447 CA SER A 27 -1.734 -11.682 0.975 1.00 0.00 C ATOM 448 C SER A 27 -1.564 -10.869 2.255 1.00 0.00 C ATOM 449 O SER A 27 -2.540 -10.563 2.941 1.00 0.00 O ATOM 450 CB SER A 27 -1.826 -13.168 1.323 1.00 0.00 C ATOM 451 OG SER A 27 -2.071 -13.913 0.136 1.00 0.00 O ATOM 0 H SER A 27 -0.186 -12.301 -0.300 1.00 0.00 H new ATOM 0 HA SER A 27 -2.651 -11.367 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.900 -13.502 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.626 -13.336 2.044 1.00 0.00 H new ATOM 0 HG SER A 27 -2.129 -14.867 0.354 1.00 0.00 H new ATOM 457 N PHE A 28 -0.321 -10.521 2.571 1.00 0.00 N ATOM 458 CA PHE A 28 -0.038 -9.742 3.771 1.00 0.00 C ATOM 459 C PHE A 28 1.245 -8.938 3.601 1.00 0.00 C ATOM 460 O PHE A 28 2.059 -9.226 2.723 1.00 0.00 O ATOM 461 CB PHE A 28 0.098 -10.671 4.980 1.00 0.00 C ATOM 462 CG PHE A 28 -0.449 -9.980 6.208 1.00 0.00 C ATOM 463 CD1 PHE A 28 -1.825 -9.998 6.466 1.00 0.00 C ATOM 464 CD2 PHE A 28 0.420 -9.323 7.087 1.00 0.00 C ATOM 465 CE1 PHE A 28 -2.332 -9.357 7.603 1.00 0.00 C ATOM 466 CE2 PHE A 28 -0.088 -8.682 8.225 1.00 0.00 C ATOM 467 CZ PHE A 28 -1.463 -8.699 8.482 1.00 0.00 C ATOM 0 H PHE A 28 0.501 -10.764 2.018 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.866 -9.052 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.443 -11.600 4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.144 -10.935 5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.495 -10.506 5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.481 -9.310 6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.393 -9.370 7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.582 -8.175 8.904 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.854 -8.204 9.359 1.00 0.00 H new ATOM 477 N THR A 29 1.420 -7.927 4.446 1.00 0.00 N ATOM 478 CA THR A 29 2.608 -7.083 4.382 1.00 0.00 C ATOM 479 C THR A 29 3.858 -7.928 4.164 1.00 0.00 C ATOM 480 O THR A 29 4.121 -8.870 4.912 1.00 0.00 O ATOM 481 CB THR A 29 2.750 -6.285 5.681 1.00 0.00 C ATOM 482 OG1 THR A 29 1.512 -5.658 5.988 1.00 0.00 O ATOM 483 CG2 THR A 29 3.836 -5.221 5.512 1.00 0.00 C ATOM 0 H THR A 29 0.758 -7.673 5.179 1.00 0.00 H new ATOM 0 HA THR A 29 2.498 -6.397 3.542 1.00 0.00 H new ATOM 0 HB THR A 29 3.027 -6.958 6.493 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.601 -5.148 6.820 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.936 -4.653 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.785 -5.704 5.278 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.562 -4.547 4.701 1.00 0.00 H new ATOM 491 N GLY A 30 4.626 -7.584 3.134 1.00 0.00 N ATOM 492 CA GLY A 30 5.848 -8.318 2.826 1.00 0.00 C ATOM 493 C GLY A 30 5.692 -9.112 1.535 1.00 0.00 C ATOM 494 O GLY A 30 4.737 -9.872 1.373 1.00 0.00 O ATOM 0 H GLY A 30 4.426 -6.808 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.682 -7.622 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.088 -8.994 3.647 1.00 0.00 H new ATOM 498 N GLY A 31 6.635 -8.930 0.616 1.00 0.00 N ATOM 499 CA GLY A 31 6.590 -9.634 -0.661 1.00 0.00 C ATOM 500 C GLY A 31 7.662 -10.716 -0.725 1.00 0.00 C ATOM 501 O GLY A 31 8.198 -11.010 -1.793 1.00 0.00 O ATOM 0 H GLY A 31 7.434 -8.306 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.606 -10.083 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.734 -8.925 -1.477 1.00 0.00 H new ATOM 505 N ASP A 32 7.970 -11.306 0.425 1.00 0.00 N ATOM 506 CA ASP A 32 8.981 -12.355 0.487 1.00 0.00 C ATOM 507 C ASP A 32 8.511 -13.502 1.377 1.00 0.00 C ATOM 508 O ASP A 32 7.367 -13.945 1.283 1.00 0.00 O ATOM 509 CB ASP A 32 10.292 -11.783 1.029 1.00 0.00 C ATOM 510 CG ASP A 32 10.057 -11.137 2.391 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.595 -10.066 2.617 1.00 0.00 O ATOM 512 OD2 ASP A 32 9.343 -11.724 3.186 1.00 0.00 O ATOM 0 H ASP A 32 7.538 -11.078 1.320 1.00 0.00 H new ATOM 0 HA ASP A 32 9.143 -12.739 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.035 -12.576 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.692 -11.046 0.332 1.00 0.00 H new ATOM 517 N GLU A 33 9.402 -13.980 2.241 1.00 0.00 N ATOM 518 CA GLU A 33 9.068 -15.079 3.141 1.00 0.00 C ATOM 519 C GLU A 33 8.099 -14.614 4.223 1.00 0.00 C ATOM 520 O GLU A 33 7.430 -13.593 4.074 1.00 0.00 O ATOM 521 CB GLU A 33 10.340 -15.626 3.789 1.00 0.00 C ATOM 522 CG GLU A 33 11.346 -15.997 2.698 1.00 0.00 C ATOM 523 CD GLU A 33 12.179 -17.195 3.142 1.00 0.00 C ATOM 524 OE1 GLU A 33 12.350 -17.361 4.338 1.00 0.00 O ATOM 525 OE2 GLU A 33 12.632 -17.929 2.279 1.00 0.00 O ATOM 0 H GLU A 33 10.354 -13.627 2.337 1.00 0.00 H new ATOM 0 HA GLU A 33 8.589 -15.867 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.770 -14.881 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.105 -16.501 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.821 -16.232 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.997 -15.148 2.489 1.00 0.00 H new ATOM 532 N SER A 34 8.023 -15.378 5.308 1.00 0.00 N ATOM 533 CA SER A 34 7.125 -15.040 6.406 1.00 0.00 C ATOM 534 C SER A 34 5.673 -15.166 5.956 1.00 0.00 C ATOM 535 O SER A 34 5.246 -14.488 5.024 1.00 0.00 O ATOM 536 CB SER A 34 7.392 -13.612 6.885 1.00 0.00 C ATOM 537 OG SER A 34 7.170 -13.539 8.288 1.00 0.00 O ATOM 0 H SER A 34 8.568 -16.229 5.450 1.00 0.00 H new ATOM 0 HA SER A 34 7.306 -15.733 7.228 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.417 -13.323 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.737 -12.913 6.364 1.00 0.00 H new ATOM 0 HG SER A 34 7.631 -12.754 8.652 1.00 0.00 H new ATOM 543 N ARG A 35 4.928 -16.045 6.623 1.00 0.00 N ATOM 544 CA ARG A 35 3.527 -16.272 6.295 1.00 0.00 C ATOM 545 C ARG A 35 3.409 -17.212 5.101 1.00 0.00 C ATOM 546 O ARG A 35 2.336 -17.747 4.823 1.00 0.00 O ATOM 547 CB ARG A 35 2.814 -14.949 5.995 1.00 0.00 C ATOM 548 CG ARG A 35 3.192 -13.903 7.049 1.00 0.00 C ATOM 549 CD ARG A 35 3.463 -12.561 6.368 1.00 0.00 C ATOM 550 NE ARG A 35 3.202 -11.466 7.296 1.00 0.00 N ATOM 551 CZ ARG A 35 4.048 -11.188 8.282 1.00 0.00 C ATOM 552 NH1 ARG A 35 3.787 -10.212 9.109 1.00 0.00 N ATOM 553 NH2 ARG A 35 5.139 -11.888 8.425 1.00 0.00 N ATOM 0 H ARG A 35 5.275 -16.612 7.396 1.00 0.00 H new ATOM 0 HA ARG A 35 3.047 -16.733 7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.090 -14.594 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.735 -15.100 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.386 -13.797 7.776 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.076 -14.228 7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.497 -12.520 6.027 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.832 -12.458 5.485 1.00 0.00 H new ATOM 0 HE ARG A 35 2.357 -10.905 7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.934 -9.664 8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.436 -9.998 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.344 -12.650 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.787 -11.673 9.183 1.00 0.00 H new ATOM 567 N ILE A 36 4.524 -17.421 4.406 1.00 0.00 N ATOM 568 CA ILE A 36 4.539 -18.315 3.256 1.00 0.00 C ATOM 569 C ILE A 36 5.857 -19.077 3.193 1.00 0.00 C ATOM 570 O ILE A 36 5.906 -20.276 3.460 1.00 0.00 O ATOM 571 CB ILE A 36 4.352 -17.536 1.951 1.00 0.00 C ATOM 572 CG1 ILE A 36 3.565 -16.246 2.214 1.00 0.00 C ATOM 573 CG2 ILE A 36 3.587 -18.407 0.954 1.00 0.00 C ATOM 574 CD1 ILE A 36 2.110 -16.584 2.541 1.00 0.00 C ATOM 0 H ILE A 36 5.422 -16.986 4.618 1.00 0.00 H new ATOM 0 HA ILE A 36 3.713 -19.017 3.373 1.00 0.00 H new ATOM 0 HB ILE A 36 5.329 -17.276 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.015 -15.697 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.609 -15.597 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.450 -17.859 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.152 -19.319 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.613 -18.666 1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.556 -15.664 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.662 -17.114 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.074 -17.215 3.429 1.00 0.00 H new ATOM 586 N GLN A 37 6.923 -18.371 2.828 1.00 0.00 N ATOM 587 CA GLN A 37 8.241 -18.988 2.719 1.00 0.00 C ATOM 588 C GLN A 37 8.241 -20.060 1.631 1.00 0.00 C ATOM 589 O GLN A 37 9.257 -20.290 0.974 1.00 0.00 O ATOM 590 CB GLN A 37 8.650 -19.609 4.058 1.00 0.00 C ATOM 591 CG GLN A 37 9.968 -20.364 3.886 1.00 0.00 C ATOM 592 CD GLN A 37 10.703 -20.447 5.220 1.00 0.00 C ATOM 593 OE1 GLN A 37 11.226 -21.502 5.578 1.00 0.00 O ATOM 594 NE2 GLN A 37 10.772 -19.390 5.983 1.00 0.00 N ATOM 0 H GLN A 37 6.901 -17.376 2.604 1.00 0.00 H new ATOM 0 HA GLN A 37 8.960 -18.214 2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.760 -18.831 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.873 -20.288 4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.774 -21.367 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.592 -19.859 3.149 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.338 -18.516 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.260 -19.438 6.877 1.00 0.00 H new ATOM 603 N GLU A 38 7.094 -20.707 1.439 1.00 0.00 N ATOM 604 CA GLU A 38 6.967 -21.745 0.425 1.00 0.00 C ATOM 605 C GLU A 38 5.499 -22.049 0.168 1.00 0.00 C ATOM 606 O GLU A 38 4.682 -22.025 1.087 1.00 0.00 O ATOM 607 CB GLU A 38 7.677 -23.018 0.882 1.00 0.00 C ATOM 608 CG GLU A 38 7.575 -24.084 -0.211 1.00 0.00 C ATOM 609 CD GLU A 38 8.691 -25.110 -0.042 1.00 0.00 C ATOM 610 OE1 GLU A 38 8.564 -25.956 0.827 1.00 0.00 O ATOM 611 OE2 GLU A 38 9.656 -25.035 -0.784 1.00 0.00 O ATOM 0 H GLU A 38 6.242 -20.530 1.972 1.00 0.00 H new ATOM 0 HA GLU A 38 7.428 -21.388 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.724 -22.805 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.228 -23.385 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.605 -24.578 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.644 -23.617 -1.194 1.00 0.00 H new ATOM 618 N GLY A 39 5.168 -22.326 -1.086 1.00 0.00 N ATOM 619 CA GLY A 39 3.787 -22.625 -1.437 1.00 0.00 C ATOM 620 C GLY A 39 3.676 -23.296 -2.802 1.00 0.00 C ATOM 621 O GLY A 39 4.569 -23.185 -3.640 1.00 0.00 O ATOM 0 H GLY A 39 5.825 -22.350 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.353 -23.275 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.206 -21.703 -1.438 1.00 0.00 H new ATOM 625 N LYS A 40 2.557 -23.985 -3.013 1.00 0.00 N ATOM 626 CA LYS A 40 2.305 -24.668 -4.277 1.00 0.00 C ATOM 627 C LYS A 40 1.278 -23.883 -5.093 1.00 0.00 C ATOM 628 O LYS A 40 0.115 -23.796 -4.702 1.00 0.00 O ATOM 629 CB LYS A 40 1.770 -26.076 -4.006 1.00 0.00 C ATOM 630 CG LYS A 40 2.013 -26.958 -5.233 1.00 0.00 C ATOM 631 CD LYS A 40 3.423 -27.551 -5.168 1.00 0.00 C ATOM 632 CE LYS A 40 3.848 -28.013 -6.563 1.00 0.00 C ATOM 633 NZ LYS A 40 4.293 -26.835 -7.362 1.00 0.00 N ATOM 0 H LYS A 40 1.811 -24.084 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 40 3.238 -24.736 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.265 -26.503 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.705 -26.035 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.273 -27.757 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.896 -26.371 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.125 -26.807 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.444 -28.391 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.656 -28.740 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.017 -28.511 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.926 -27.152 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.464 -26.362 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.800 -26.169 -6.745 1.00 0.00 H new ATOM 647 N PRO A 41 1.670 -23.308 -6.204 1.00 0.00 N ATOM 648 CA PRO A 41 0.751 -22.519 -7.061 1.00 0.00 C ATOM 649 C PRO A 41 0.149 -23.334 -8.199 1.00 0.00 C ATOM 650 O PRO A 41 0.611 -24.431 -8.514 1.00 0.00 O ATOM 651 CB PRO A 41 1.686 -21.461 -7.623 1.00 0.00 C ATOM 652 CG PRO A 41 2.981 -22.181 -7.817 1.00 0.00 C ATOM 653 CD PRO A 41 3.028 -23.309 -6.773 1.00 0.00 C ATOM 0 HA PRO A 41 -0.109 -22.140 -6.509 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.311 -21.057 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.796 -20.622 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.049 -22.587 -8.826 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.823 -21.501 -7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.271 -24.268 -7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.783 -23.119 -6.010 1.00 0.00 H new ATOM 661 N GLY A 42 -0.892 -22.777 -8.803 1.00 0.00 N ATOM 662 CA GLY A 42 -1.580 -23.433 -9.906 1.00 0.00 C ATOM 663 C GLY A 42 -2.488 -22.447 -10.632 1.00 0.00 C ATOM 664 O GLY A 42 -2.766 -21.358 -10.129 1.00 0.00 O ATOM 0 H GLY A 42 -1.279 -21.869 -8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.851 -23.846 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.169 -24.269 -9.529 1.00 0.00 H new ATOM 668 N PHE A 43 -2.949 -22.830 -11.816 1.00 0.00 N ATOM 669 CA PHE A 43 -3.826 -21.967 -12.597 1.00 0.00 C ATOM 670 C PHE A 43 -5.242 -21.982 -12.024 1.00 0.00 C ATOM 671 O PHE A 43 -5.797 -23.046 -11.750 1.00 0.00 O ATOM 672 CB PHE A 43 -3.861 -22.437 -14.051 1.00 0.00 C ATOM 673 CG PHE A 43 -3.807 -23.945 -14.095 1.00 0.00 C ATOM 674 CD1 PHE A 43 -4.988 -24.686 -14.228 1.00 0.00 C ATOM 675 CD2 PHE A 43 -2.576 -24.604 -14.001 1.00 0.00 C ATOM 676 CE1 PHE A 43 -4.938 -26.085 -14.268 1.00 0.00 C ATOM 677 CE2 PHE A 43 -2.524 -26.003 -14.041 1.00 0.00 C ATOM 678 CZ PHE A 43 -3.705 -26.743 -14.174 1.00 0.00 C ATOM 0 H PHE A 43 -2.732 -23.725 -12.254 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.437 -20.950 -12.552 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.769 -22.081 -14.538 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.019 -22.016 -14.601 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.938 -24.178 -14.300 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.665 -24.033 -13.897 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.849 -26.656 -14.371 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.573 -26.511 -13.969 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.665 -27.822 -14.204 1.00 0.00 H new ATOM 688 N PHE A 44 -5.822 -20.797 -11.855 1.00 0.00 N ATOM 689 CA PHE A 44 -7.180 -20.685 -11.325 1.00 0.00 C ATOM 690 C PHE A 44 -7.189 -20.794 -9.802 1.00 0.00 C ATOM 691 O PHE A 44 -8.254 -20.814 -9.183 1.00 0.00 O ATOM 692 CB PHE A 44 -8.062 -21.784 -11.920 1.00 0.00 C ATOM 693 CG PHE A 44 -9.380 -21.195 -12.364 1.00 0.00 C ATOM 694 CD1 PHE A 44 -9.437 -20.393 -13.510 1.00 0.00 C ATOM 695 CD2 PHE A 44 -10.544 -21.452 -11.630 1.00 0.00 C ATOM 696 CE1 PHE A 44 -10.660 -19.847 -13.922 1.00 0.00 C ATOM 697 CE2 PHE A 44 -11.765 -20.907 -12.041 1.00 0.00 C ATOM 698 CZ PHE A 44 -11.823 -20.105 -13.187 1.00 0.00 C ATOM 0 H PHE A 44 -5.378 -19.906 -12.075 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.571 -19.706 -11.603 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.558 -22.250 -12.766 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.233 -22.566 -11.181 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.539 -20.195 -14.076 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.499 -22.071 -10.746 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.705 -19.228 -14.806 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -12.663 -21.105 -11.474 1.00 0.00 H new ATOM 0 HZ PHE A 44 -12.766 -19.685 -13.504 1.00 0.00 H new ATOM 708 N LYS A 45 -6.005 -20.868 -9.199 1.00 0.00 N ATOM 709 CA LYS A 45 -5.911 -20.977 -7.746 1.00 0.00 C ATOM 710 C LYS A 45 -4.467 -21.191 -7.305 1.00 0.00 C ATOM 711 O LYS A 45 -3.612 -21.568 -8.105 1.00 0.00 O ATOM 712 CB LYS A 45 -6.765 -22.145 -7.259 1.00 0.00 C ATOM 713 CG LYS A 45 -6.577 -23.335 -8.201 1.00 0.00 C ATOM 714 CD LYS A 45 -6.393 -24.615 -7.383 1.00 0.00 C ATOM 715 CE LYS A 45 -6.307 -25.816 -8.329 1.00 0.00 C ATOM 716 NZ LYS A 45 -6.879 -27.018 -7.658 1.00 0.00 N ATOM 0 H LYS A 45 -5.109 -20.855 -9.686 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.273 -20.045 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.479 -22.421 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.815 -21.854 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.442 -23.432 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.709 -23.172 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.487 -24.547 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.227 -24.741 -6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.851 -25.607 -9.250 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.269 -26.000 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.821 -27.834 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.341 -27.220 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.874 -26.839 -7.415 1.00 0.00 H new ATOM 730 N CYS A 46 -4.206 -20.957 -6.024 1.00 0.00 N ATOM 731 CA CYS A 46 -2.862 -21.135 -5.484 1.00 0.00 C ATOM 732 C CYS A 46 -2.909 -21.427 -3.986 1.00 0.00 C ATOM 733 O CYS A 46 -3.515 -20.680 -3.218 1.00 0.00 O ATOM 734 CB CYS A 46 -2.019 -19.878 -5.725 1.00 0.00 C ATOM 735 SG CYS A 46 -2.926 -18.705 -6.764 1.00 0.00 S ATOM 0 H CYS A 46 -4.900 -20.646 -5.344 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.408 -21.983 -5.997 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.768 -19.412 -4.772 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.079 -20.149 -6.205 1.00 0.00 H new ATOM 740 N THR A 47 -2.249 -22.507 -3.576 1.00 0.00 N ATOM 741 CA THR A 47 -2.207 -22.871 -2.165 1.00 0.00 C ATOM 742 C THR A 47 -0.787 -22.737 -1.632 1.00 0.00 C ATOM 743 O THR A 47 0.154 -23.294 -2.200 1.00 0.00 O ATOM 744 CB THR A 47 -2.699 -24.305 -1.961 1.00 0.00 C ATOM 745 OG1 THR A 47 -2.091 -25.158 -2.921 1.00 0.00 O ATOM 746 CG2 THR A 47 -4.219 -24.355 -2.117 1.00 0.00 C ATOM 0 H THR A 47 -1.741 -23.139 -4.195 1.00 0.00 H new ATOM 0 HA THR A 47 -2.864 -22.194 -1.618 1.00 0.00 H new ATOM 0 HB THR A 47 -2.430 -24.640 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.149 -24.909 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.566 -25.378 -1.971 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.683 -23.705 -1.375 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.493 -24.018 -3.117 1.00 0.00 H new ATOM 754 N CYS A 48 -0.635 -21.987 -0.547 1.00 0.00 N ATOM 755 CA CYS A 48 0.680 -21.780 0.041 1.00 0.00 C ATOM 756 C CYS A 48 0.702 -22.204 1.507 1.00 0.00 C ATOM 757 O CYS A 48 -0.345 -22.370 2.133 1.00 0.00 O ATOM 758 CB CYS A 48 1.077 -20.306 -0.069 1.00 0.00 C ATOM 759 SG CYS A 48 0.254 -19.559 -1.497 1.00 0.00 S ATOM 0 H CYS A 48 -1.399 -21.517 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 48 1.393 -22.395 -0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.799 -19.775 0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.158 -20.217 -0.173 1.00 0.00 H new ATOM 764 N TYR A 49 1.907 -22.371 2.045 1.00 0.00 N ATOM 765 CA TYR A 49 2.069 -22.771 3.439 1.00 0.00 C ATOM 766 C TYR A 49 3.071 -21.854 4.129 1.00 0.00 C ATOM 767 O TYR A 49 4.005 -21.365 3.497 1.00 0.00 O ATOM 768 CB TYR A 49 2.555 -24.217 3.509 1.00 0.00 C ATOM 769 CG TYR A 49 1.552 -25.114 2.822 1.00 0.00 C ATOM 770 CD1 TYR A 49 1.821 -25.618 1.544 1.00 0.00 C ATOM 771 CD2 TYR A 49 0.350 -25.437 3.464 1.00 0.00 C ATOM 772 CE1 TYR A 49 0.888 -26.447 0.908 1.00 0.00 C ATOM 773 CE2 TYR A 49 -0.582 -26.266 2.827 1.00 0.00 C ATOM 774 CZ TYR A 49 -0.313 -26.770 1.550 1.00 0.00 C ATOM 775 OH TYR A 49 -1.231 -27.587 0.923 1.00 0.00 O ATOM 0 H TYR A 49 2.782 -22.236 1.539 1.00 0.00 H new ATOM 0 HA TYR A 49 1.108 -22.692 3.946 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.530 -24.309 3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.680 -24.521 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.747 -25.368 1.049 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.142 -25.047 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.095 -26.837 -0.078 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.509 -26.516 3.322 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.009 -27.713 1.506 1.00 0.00 H new ATOM 785 N PHE A 50 2.874 -21.618 5.421 1.00 0.00 N ATOM 786 CA PHE A 50 3.776 -20.747 6.165 1.00 0.00 C ATOM 787 C PHE A 50 4.780 -21.566 6.966 1.00 0.00 C ATOM 788 O PHE A 50 4.453 -22.104 8.021 1.00 0.00 O ATOM 789 CB PHE A 50 2.975 -19.850 7.113 1.00 0.00 C ATOM 790 CG PHE A 50 3.901 -19.166 8.099 1.00 0.00 C ATOM 791 CD1 PHE A 50 5.180 -18.740 7.704 1.00 0.00 C ATOM 792 CD2 PHE A 50 3.472 -18.953 9.415 1.00 0.00 C ATOM 793 CE1 PHE A 50 6.022 -18.105 8.625 1.00 0.00 C ATOM 794 CE2 PHE A 50 4.317 -18.319 10.334 1.00 0.00 C ATOM 795 CZ PHE A 50 5.591 -17.895 9.938 1.00 0.00 C ATOM 0 H PHE A 50 2.109 -22.011 5.969 1.00 0.00 H new ATOM 0 HA PHE A 50 4.319 -20.129 5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.426 -19.102 6.540 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.236 -20.445 7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.514 -18.902 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.489 -19.278 9.721 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.005 -17.777 8.321 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.986 -18.157 11.349 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.241 -17.405 10.648 1.00 0.00 H new ATOM 805 N THR A 51 6.002 -21.655 6.458 1.00 0.00 N ATOM 806 CA THR A 51 7.043 -22.413 7.141 1.00 0.00 C ATOM 807 C THR A 51 7.260 -21.870 8.551 1.00 0.00 C ATOM 808 O THR A 51 7.992 -20.899 8.745 1.00 0.00 O ATOM 809 CB THR A 51 8.353 -22.336 6.352 1.00 0.00 C ATOM 810 OG1 THR A 51 8.101 -22.637 4.987 1.00 0.00 O ATOM 811 CG2 THR A 51 9.352 -23.343 6.922 1.00 0.00 C ATOM 0 H THR A 51 6.295 -21.217 5.585 1.00 0.00 H new ATOM 0 HA THR A 51 6.724 -23.453 7.209 1.00 0.00 H new ATOM 0 HB THR A 51 8.767 -21.331 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.897 -23.050 4.591 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.285 -23.288 6.360 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.545 -23.111 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.940 -24.349 6.843 1.00 0.00 H new ATOM 819 N THR A 52 6.616 -22.498 9.531 1.00 0.00 N ATOM 820 CA THR A 52 6.745 -22.063 10.919 1.00 0.00 C ATOM 821 C THR A 52 7.072 -23.243 11.829 1.00 0.00 C ATOM 822 O THR A 52 6.824 -23.198 13.033 1.00 0.00 O ATOM 823 CB THR A 52 5.445 -21.403 11.382 1.00 0.00 C ATOM 824 OG1 THR A 52 4.769 -20.857 10.257 1.00 0.00 O ATOM 825 CG2 THR A 52 5.762 -20.288 12.379 1.00 0.00 C ATOM 0 H THR A 52 6.005 -23.303 9.392 1.00 0.00 H new ATOM 0 HA THR A 52 7.560 -21.342 10.977 1.00 0.00 H new ATOM 0 HB THR A 52 4.811 -22.147 11.864 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.249 -20.075 10.536 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.834 -19.819 12.708 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.282 -20.707 13.241 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.396 -19.542 11.901 1.00 0.00 H new ATOM 833 N GLY A 53 7.630 -24.297 11.243 1.00 0.00 N ATOM 834 CA GLY A 53 7.988 -25.485 12.010 1.00 0.00 C ATOM 835 C GLY A 53 6.953 -26.588 11.824 1.00 0.00 C ATOM 836 O GLY A 53 6.412 -26.688 10.734 1.00 0.00 O ATOM 837 OXT GLY A 53 6.715 -27.317 12.772 1.00 0.00 O ATOM 0 H GLY A 53 7.843 -24.353 10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.968 -25.844 11.695 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.067 -25.230 13.067 1.00 0.00 H new TER 841 GLY A 53