USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 624 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 71 TYR OH : rot 180:sc= -0.466 USER MOD Set 1.2: A 75 MET CE :methyl -162:sc= -1.17 (180deg=-1.04) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -0.846 X(o=-8.1,f=-8.4) USER MOD Set 2.2: A 31 HIS :FLIP no HD1:sc= -7.3! F(o=-9.4,f=-8.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.0978 (180deg=-0.954) USER MOD Single : A 3 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.125) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -131:sc= 0.518 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= -0.0434 (180deg=-0.267) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.529 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.9) USER MOD Single : A 22 THR OG1 : rot 109:sc= 1.26 USER MOD Single : A 23 SER OG : rot 101:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= -0.0047 (180deg=-0.148) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= 0.227 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 22:sc= 0.47 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.56) USER MOD Single : A 42 SER OG : rot 180:sc= -1.09 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -115:sc= -0.0406 (180deg=-0.377) USER MOD Single : A 45 CYS SG : rot 135:sc= -0.38 USER MOD Single : A 46 SER OG : rot -86:sc= -0.0663 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -145:sc= -0.58 USER MOD Single : A 52 MET CE :methyl -151:sc= -0.438 (180deg=-0.566) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0739 USER MOD Single : A 59 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.062) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0425) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.004 10.190 -12.394 1.00 0.00 N ATOM 2 CA MET A 1 -22.431 10.377 -12.000 1.00 0.00 C ATOM 3 C MET A 1 -22.565 11.569 -11.045 1.00 0.00 C ATOM 4 O MET A 1 -23.282 11.509 -10.064 1.00 0.00 O ATOM 5 CB MET A 1 -22.833 9.073 -11.302 1.00 0.00 C ATOM 6 CG MET A 1 -21.921 8.818 -10.096 1.00 0.00 C ATOM 7 SD MET A 1 -22.549 7.406 -9.153 1.00 0.00 S ATOM 8 CE MET A 1 -23.538 8.347 -7.965 1.00 0.00 C ATOM 0 H1 MET A 1 -20.850 9.203 -12.682 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.778 10.822 -13.189 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.389 10.415 -11.587 1.00 0.00 H new ATOM 0 HA MET A 1 -23.070 10.586 -12.858 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.872 9.131 -10.977 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.764 8.240 -12.002 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.903 8.621 -10.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.882 9.704 -9.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.025 7.661 -7.272 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.891 9.025 -7.409 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.295 8.923 -8.497 1.00 0.00 H new ATOM 20 N GLY A 2 -21.880 12.648 -11.330 1.00 0.00 N ATOM 21 CA GLY A 2 -21.962 13.848 -10.445 1.00 0.00 C ATOM 22 C GLY A 2 -21.083 14.963 -11.014 1.00 0.00 C ATOM 23 O GLY A 2 -19.885 14.988 -10.803 1.00 0.00 O ATOM 0 H GLY A 2 -21.267 12.749 -12.139 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.995 14.188 -10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.636 13.592 -9.437 1.00 0.00 H new ATOM 27 N LYS A 3 -21.672 15.885 -11.732 1.00 0.00 N ATOM 28 CA LYS A 3 -20.879 17.006 -12.320 1.00 0.00 C ATOM 29 C LYS A 3 -21.725 18.281 -12.372 1.00 0.00 C ATOM 30 O LYS A 3 -22.477 18.498 -13.304 1.00 0.00 O ATOM 31 CB LYS A 3 -20.521 16.541 -13.731 1.00 0.00 C ATOM 32 CG LYS A 3 -19.359 17.377 -14.268 1.00 0.00 C ATOM 33 CD LYS A 3 -19.160 17.082 -15.756 1.00 0.00 C ATOM 34 CE LYS A 3 -17.967 17.881 -16.282 1.00 0.00 C ATOM 35 NZ LYS A 3 -18.494 19.257 -16.503 1.00 0.00 N ATOM 0 H LYS A 3 -22.671 15.910 -11.937 1.00 0.00 H new ATOM 0 HA LYS A 3 -19.992 17.238 -11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.248 15.486 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.386 16.638 -14.387 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.562 18.438 -14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.447 17.148 -13.716 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.991 16.016 -15.906 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -20.060 17.344 -16.313 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.146 17.883 -15.565 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.581 17.452 -17.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.528 19.456 -17.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.452 19.330 -16.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.871 19.947 -16.036 1.00 0.00 H new ATOM 49 N GLY A 4 -21.606 19.122 -11.376 1.00 0.00 N ATOM 50 CA GLY A 4 -22.400 20.387 -11.358 1.00 0.00 C ATOM 51 C GLY A 4 -21.493 21.567 -11.712 1.00 0.00 C ATOM 52 O GLY A 4 -21.934 22.549 -12.277 1.00 0.00 O ATOM 0 H GLY A 4 -20.992 18.986 -10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.223 20.322 -12.069 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.841 20.537 -10.373 1.00 0.00 H new ATOM 56 N ASP A 5 -20.229 21.474 -11.383 1.00 0.00 N ATOM 57 CA ASP A 5 -19.285 22.588 -11.698 1.00 0.00 C ATOM 58 C ASP A 5 -18.820 22.488 -13.159 1.00 0.00 C ATOM 59 O ASP A 5 -18.963 21.452 -13.776 1.00 0.00 O ATOM 60 CB ASP A 5 -18.106 22.391 -10.744 1.00 0.00 C ATOM 61 CG ASP A 5 -18.434 23.020 -9.389 1.00 0.00 C ATOM 62 OD1 ASP A 5 -19.231 22.445 -8.668 1.00 0.00 O ATOM 63 OD2 ASP A 5 -17.881 24.068 -9.095 1.00 0.00 O ATOM 0 H ASP A 5 -19.810 20.674 -10.909 1.00 0.00 H new ATOM 0 HA ASP A 5 -19.746 23.568 -11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.897 21.328 -10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.208 22.847 -11.160 1.00 0.00 H new ATOM 68 N PRO A 6 -18.275 23.571 -13.675 1.00 0.00 N ATOM 69 CA PRO A 6 -17.796 23.571 -15.082 1.00 0.00 C ATOM 70 C PRO A 6 -16.511 22.758 -15.200 1.00 0.00 C ATOM 71 O PRO A 6 -16.324 21.996 -16.130 1.00 0.00 O ATOM 72 CB PRO A 6 -17.499 25.042 -15.361 1.00 0.00 C ATOM 73 CG PRO A 6 -17.212 25.629 -14.018 1.00 0.00 C ATOM 74 CD PRO A 6 -18.052 24.874 -13.024 1.00 0.00 C ATOM 0 HA PRO A 6 -18.517 23.137 -15.774 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.648 25.154 -16.033 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.347 25.535 -15.836 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -16.153 25.540 -13.776 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -17.455 26.692 -14.001 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -17.539 24.762 -12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -18.992 25.387 -12.822 1.00 0.00 H new ATOM 82 N ASN A 7 -15.617 22.937 -14.265 1.00 0.00 N ATOM 83 CA ASN A 7 -14.320 22.205 -14.306 1.00 0.00 C ATOM 84 C ASN A 7 -13.980 21.649 -12.920 1.00 0.00 C ATOM 85 O ASN A 7 -13.264 22.267 -12.154 1.00 0.00 O ATOM 86 CB ASN A 7 -13.299 23.268 -14.732 1.00 0.00 C ATOM 87 CG ASN A 7 -12.830 22.992 -16.162 1.00 0.00 C ATOM 88 OD1 ASN A 7 -11.750 22.478 -16.373 1.00 0.00 O ATOM 89 ND2 ASN A 7 -13.605 23.318 -17.161 1.00 0.00 N ATOM 0 H ASN A 7 -15.731 23.564 -13.469 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.338 21.353 -14.985 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.746 24.260 -14.671 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.447 23.260 -14.052 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.304 23.141 -18.119 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.512 23.750 -16.983 1.00 0.00 H new ATOM 96 N LYS A 8 -14.487 20.486 -12.597 1.00 0.00 N ATOM 97 CA LYS A 8 -14.197 19.879 -11.263 1.00 0.00 C ATOM 98 C LYS A 8 -14.419 18.358 -11.315 1.00 0.00 C ATOM 99 O LYS A 8 -15.221 17.885 -12.096 1.00 0.00 O ATOM 100 CB LYS A 8 -15.193 20.536 -10.298 1.00 0.00 C ATOM 101 CG LYS A 8 -14.456 21.524 -9.389 1.00 0.00 C ATOM 102 CD LYS A 8 -15.474 22.388 -8.643 1.00 0.00 C ATOM 103 CE LYS A 8 -14.810 23.017 -7.415 1.00 0.00 C ATOM 104 NZ LYS A 8 -15.823 23.963 -6.872 1.00 0.00 N ATOM 0 H LYS A 8 -15.091 19.929 -13.202 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.165 20.041 -10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.970 21.054 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.688 19.774 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.831 20.984 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.793 22.154 -9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.857 23.168 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.327 21.782 -8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.543 22.259 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.890 23.536 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.378 24.887 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.597 24.074 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.203 23.590 -5.979 1.00 0.00 H new ATOM 118 N PRO A 9 -13.703 17.633 -10.483 1.00 0.00 N ATOM 119 CA PRO A 9 -13.847 16.155 -10.462 1.00 0.00 C ATOM 120 C PRO A 9 -15.178 15.758 -9.817 1.00 0.00 C ATOM 121 O PRO A 9 -15.871 16.582 -9.250 1.00 0.00 O ATOM 122 CB PRO A 9 -12.671 15.688 -9.609 1.00 0.00 C ATOM 123 CG PRO A 9 -12.335 16.856 -8.737 1.00 0.00 C ATOM 124 CD PRO A 9 -12.707 18.099 -9.500 1.00 0.00 C ATOM 0 HA PRO A 9 -13.845 15.712 -11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.938 14.815 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.822 15.402 -10.230 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.882 16.804 -7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.274 16.859 -8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.123 18.861 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.839 18.540 -9.990 1.00 0.00 H new ATOM 132 N ARG A 10 -15.536 14.503 -9.903 1.00 0.00 N ATOM 133 CA ARG A 10 -16.822 14.041 -9.299 1.00 0.00 C ATOM 134 C ARG A 10 -16.554 13.279 -7.996 1.00 0.00 C ATOM 135 O ARG A 10 -17.266 12.354 -7.652 1.00 0.00 O ATOM 136 CB ARG A 10 -17.454 13.119 -10.349 1.00 0.00 C ATOM 137 CG ARG A 10 -16.513 11.950 -10.666 1.00 0.00 C ATOM 138 CD ARG A 10 -17.302 10.831 -11.349 1.00 0.00 C ATOM 139 NE ARG A 10 -17.305 11.189 -12.795 1.00 0.00 N ATOM 140 CZ ARG A 10 -17.007 10.289 -13.690 1.00 0.00 C ATOM 141 NH1 ARG A 10 -15.875 9.644 -13.617 1.00 0.00 N ATOM 142 NH2 ARG A 10 -17.843 10.033 -14.660 1.00 0.00 N ATOM 0 H ARG A 10 -14.992 13.776 -10.367 1.00 0.00 H new ATOM 0 HA ARG A 10 -17.479 14.873 -9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.407 12.738 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.664 13.682 -11.258 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.703 12.286 -11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -16.055 11.579 -9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.834 9.860 -11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.317 10.767 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.540 12.138 -13.085 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.222 9.844 -12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.643 8.940 -14.318 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.728 10.537 -14.717 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.611 9.329 -15.361 1.00 0.00 H new ATOM 156 N GLY A 11 -15.534 13.665 -7.273 1.00 0.00 N ATOM 157 CA GLY A 11 -15.211 12.971 -5.991 1.00 0.00 C ATOM 158 C GLY A 11 -14.388 11.716 -6.284 1.00 0.00 C ATOM 159 O GLY A 11 -13.798 11.584 -7.339 1.00 0.00 O ATOM 0 H GLY A 11 -14.909 14.434 -7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.654 13.639 -5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.129 12.703 -5.469 1.00 0.00 H new ATOM 163 N LYS A 12 -14.345 10.795 -5.353 1.00 0.00 N ATOM 164 CA LYS A 12 -13.561 9.542 -5.567 1.00 0.00 C ATOM 165 C LYS A 12 -14.482 8.323 -5.496 1.00 0.00 C ATOM 166 O LYS A 12 -15.693 8.448 -5.509 1.00 0.00 O ATOM 167 CB LYS A 12 -12.543 9.513 -4.427 1.00 0.00 C ATOM 168 CG LYS A 12 -11.582 10.695 -4.566 1.00 0.00 C ATOM 169 CD LYS A 12 -10.886 10.949 -3.227 1.00 0.00 C ATOM 170 CE LYS A 12 -11.838 11.688 -2.277 1.00 0.00 C ATOM 171 NZ LYS A 12 -12.118 10.722 -1.178 1.00 0.00 N ATOM 0 H LYS A 12 -14.820 10.858 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.079 9.518 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.056 9.560 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.987 8.575 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.842 10.486 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.127 11.585 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.576 10.003 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.983 11.539 -3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.382 12.600 -1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.755 11.981 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.056 10.918 -0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.098 9.753 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.395 10.820 -0.437 1.00 0.00 H new ATOM 185 N MET A 13 -13.916 7.145 -5.422 1.00 0.00 N ATOM 186 CA MET A 13 -14.750 5.909 -5.349 1.00 0.00 C ATOM 187 C MET A 13 -14.029 4.833 -4.534 1.00 0.00 C ATOM 188 O MET A 13 -12.978 4.352 -4.917 1.00 0.00 O ATOM 189 CB MET A 13 -14.920 5.459 -6.801 1.00 0.00 C ATOM 190 CG MET A 13 -15.828 6.443 -7.538 1.00 0.00 C ATOM 191 SD MET A 13 -16.375 5.708 -9.099 1.00 0.00 S ATOM 192 CE MET A 13 -16.361 7.227 -10.082 1.00 0.00 C ATOM 0 H MET A 13 -12.908 6.987 -5.409 1.00 0.00 H new ATOM 0 HA MET A 13 -15.709 6.086 -4.863 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.949 5.406 -7.292 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.349 4.457 -6.834 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.690 6.692 -6.919 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.294 7.374 -7.730 1.00 0.00 H new ATOM 0 HE1 MET A 13 -16.672 7.003 -11.102 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.048 7.950 -9.644 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.354 7.644 -10.093 1.00 0.00 H new ATOM 202 N SER A 14 -14.586 4.455 -3.411 1.00 0.00 N ATOM 203 CA SER A 14 -13.939 3.409 -2.562 1.00 0.00 C ATOM 204 C SER A 14 -14.198 2.018 -3.146 1.00 0.00 C ATOM 205 O SER A 14 -14.853 1.876 -4.162 1.00 0.00 O ATOM 206 CB SER A 14 -14.597 3.546 -1.190 1.00 0.00 C ATOM 207 OG SER A 14 -14.305 2.392 -0.412 1.00 0.00 O ATOM 0 H SER A 14 -15.463 4.827 -3.045 1.00 0.00 H new ATOM 0 HA SER A 14 -12.858 3.534 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.231 4.441 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.675 3.661 -1.301 1.00 0.00 H new ATOM 0 HG SER A 14 -14.724 2.477 0.470 1.00 0.00 H new ATOM 213 N SER A 15 -13.687 0.994 -2.510 1.00 0.00 N ATOM 214 CA SER A 15 -13.900 -0.394 -3.022 1.00 0.00 C ATOM 215 C SER A 15 -15.352 -0.824 -2.796 1.00 0.00 C ATOM 216 O SER A 15 -15.891 -1.626 -3.536 1.00 0.00 O ATOM 217 CB SER A 15 -12.949 -1.273 -2.209 1.00 0.00 C ATOM 218 OG SER A 15 -13.306 -1.207 -0.835 1.00 0.00 O ATOM 0 H SER A 15 -13.131 1.059 -1.657 1.00 0.00 H new ATOM 0 HA SER A 15 -13.707 -0.470 -4.092 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.999 -2.304 -2.560 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.921 -0.939 -2.346 1.00 0.00 H new ATOM 0 HG SER A 15 -12.699 -1.771 -0.312 1.00 0.00 H new ATOM 224 N TYR A 16 -15.986 -0.295 -1.782 1.00 0.00 N ATOM 225 CA TYR A 16 -17.406 -0.668 -1.501 1.00 0.00 C ATOM 226 C TYR A 16 -18.337 -0.007 -2.522 1.00 0.00 C ATOM 227 O TYR A 16 -19.393 -0.523 -2.836 1.00 0.00 O ATOM 228 CB TYR A 16 -17.692 -0.140 -0.095 1.00 0.00 C ATOM 229 CG TYR A 16 -18.998 -0.713 0.403 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.203 -0.063 0.111 1.00 0.00 C ATOM 231 CD2 TYR A 16 -19.003 -1.893 1.156 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.414 -0.595 0.571 1.00 0.00 C ATOM 233 CE2 TYR A 16 -20.213 -2.424 1.617 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.419 -1.774 1.325 1.00 0.00 C ATOM 235 OH TYR A 16 -22.612 -2.298 1.779 1.00 0.00 O ATOM 0 H TYR A 16 -15.581 0.381 -1.134 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.568 -1.744 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.881 -0.415 0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.742 0.949 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.199 0.848 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -18.073 -2.394 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.344 -0.095 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -20.217 -3.335 2.198 1.00 0.00 H new ATOM 0 HH TYR A 16 -22.437 -3.119 2.285 1.00 0.00 H new ATOM 245 N ALA A 17 -17.949 1.131 -3.040 1.00 0.00 N ATOM 246 CA ALA A 17 -18.808 1.833 -4.044 1.00 0.00 C ATOM 247 C ALA A 17 -18.782 1.080 -5.377 1.00 0.00 C ATOM 248 O ALA A 17 -19.806 0.862 -5.996 1.00 0.00 O ATOM 249 CB ALA A 17 -18.188 3.224 -4.202 1.00 0.00 C ATOM 0 H ALA A 17 -17.075 1.605 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.850 1.888 -3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.765 3.800 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.196 3.737 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.161 3.127 -4.553 1.00 0.00 H new ATOM 255 N PHE A 18 -17.616 0.680 -5.819 1.00 0.00 N ATOM 256 CA PHE A 18 -17.513 -0.064 -7.112 1.00 0.00 C ATOM 257 C PHE A 18 -18.283 -1.385 -7.022 1.00 0.00 C ATOM 258 O PHE A 18 -18.783 -1.889 -8.010 1.00 0.00 O ATOM 259 CB PHE A 18 -16.020 -0.329 -7.310 1.00 0.00 C ATOM 260 CG PHE A 18 -15.354 0.914 -7.849 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.731 1.425 -9.097 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.359 1.556 -7.102 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.113 2.577 -9.597 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.741 2.709 -7.602 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.118 3.219 -8.851 1.00 0.00 C ATOM 0 H PHE A 18 -16.730 0.837 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.937 0.499 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.563 -0.618 -6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.876 -1.160 -8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.499 0.930 -9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.068 1.162 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.404 2.971 -10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.974 3.205 -7.025 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.641 4.107 -9.238 1.00 0.00 H new ATOM 275 N PHE A 19 -18.380 -1.944 -5.843 1.00 0.00 N ATOM 276 CA PHE A 19 -19.117 -3.236 -5.678 1.00 0.00 C ATOM 277 C PHE A 19 -20.593 -3.054 -6.045 1.00 0.00 C ATOM 278 O PHE A 19 -21.101 -3.701 -6.942 1.00 0.00 O ATOM 279 CB PHE A 19 -18.974 -3.597 -4.199 1.00 0.00 C ATOM 280 CG PHE A 19 -19.243 -5.070 -4.011 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.308 -6.015 -4.449 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.428 -5.492 -3.396 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.558 -7.381 -4.273 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.678 -6.858 -3.221 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.743 -7.802 -3.660 1.00 0.00 C ATOM 0 H PHE A 19 -17.981 -1.562 -4.986 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.721 -4.018 -6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.971 -3.352 -3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.672 -3.010 -3.602 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.393 -5.690 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.149 -4.763 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.836 -8.110 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.592 -7.183 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.936 -8.856 -3.526 1.00 0.00 H new ATOM 295 N VAL A 20 -21.281 -2.179 -5.356 1.00 0.00 N ATOM 296 CA VAL A 20 -22.728 -1.949 -5.659 1.00 0.00 C ATOM 297 C VAL A 20 -22.874 -1.290 -7.035 1.00 0.00 C ATOM 298 O VAL A 20 -23.863 -1.480 -7.720 1.00 0.00 O ATOM 299 CB VAL A 20 -23.231 -1.015 -4.551 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.716 -0.704 -4.770 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.053 -1.695 -3.191 1.00 0.00 C ATOM 0 H VAL A 20 -20.904 -1.613 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.299 -2.877 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.659 -0.088 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.069 -0.040 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.847 -0.219 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.289 -1.631 -4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.410 -1.032 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.624 -2.623 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.998 -1.915 -3.029 1.00 0.00 H new ATOM 311 N GLN A 21 -21.897 -0.521 -7.442 1.00 0.00 N ATOM 312 CA GLN A 21 -21.973 0.152 -8.776 1.00 0.00 C ATOM 313 C GLN A 21 -21.852 -0.885 -9.896 1.00 0.00 C ATOM 314 O GLN A 21 -22.446 -0.747 -10.949 1.00 0.00 O ATOM 315 CB GLN A 21 -20.788 1.120 -8.810 1.00 0.00 C ATOM 316 CG GLN A 21 -20.971 2.110 -9.962 1.00 0.00 C ATOM 317 CD GLN A 21 -20.553 1.449 -11.277 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.457 0.938 -11.392 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.386 1.437 -12.281 1.00 0.00 N ATOM 0 H GLN A 21 -21.049 -0.329 -6.909 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.921 0.671 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.715 1.656 -7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.857 0.567 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.012 2.430 -10.018 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.372 3.004 -9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.306 1.866 -12.185 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.117 0.999 -13.162 1.00 0.00 H new ATOM 328 N THR A 22 -21.087 -1.923 -9.671 1.00 0.00 N ATOM 329 CA THR A 22 -20.922 -2.979 -10.715 1.00 0.00 C ATOM 330 C THR A 22 -22.000 -4.053 -10.553 1.00 0.00 C ATOM 331 O THR A 22 -22.407 -4.684 -11.510 1.00 0.00 O ATOM 332 CB THR A 22 -19.532 -3.569 -10.466 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.572 -2.523 -10.451 1.00 0.00 O ATOM 334 CG2 THR A 22 -19.191 -4.563 -11.577 1.00 0.00 C ATOM 0 H THR A 22 -20.569 -2.085 -8.808 1.00 0.00 H new ATOM 0 HA THR A 22 -21.020 -2.582 -11.725 1.00 0.00 H new ATOM 0 HB THR A 22 -19.522 -4.085 -9.506 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.246 -2.391 -9.536 1.00 0.00 H new ATOM 0 HG21 THR A 22 -18.201 -4.982 -11.399 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.929 -5.365 -11.586 1.00 0.00 H new ATOM 0 HG23 THR A 22 -19.200 -4.051 -12.539 1.00 0.00 H new ATOM 342 N SER A 23 -22.462 -4.263 -9.346 1.00 0.00 N ATOM 343 CA SER A 23 -23.516 -5.296 -9.111 1.00 0.00 C ATOM 344 C SER A 23 -24.891 -4.742 -9.495 1.00 0.00 C ATOM 345 O SER A 23 -25.773 -5.476 -9.899 1.00 0.00 O ATOM 346 CB SER A 23 -23.457 -5.592 -7.613 1.00 0.00 C ATOM 347 OG SER A 23 -22.142 -6.008 -7.268 1.00 0.00 O ATOM 0 H SER A 23 -22.154 -3.763 -8.512 1.00 0.00 H new ATOM 0 HA SER A 23 -23.355 -6.193 -9.709 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.731 -4.704 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.176 -6.370 -7.356 1.00 0.00 H new ATOM 0 HG SER A 23 -21.658 -5.259 -6.861 1.00 0.00 H new ATOM 353 N ARG A 24 -25.074 -3.451 -9.373 1.00 0.00 N ATOM 354 CA ARG A 24 -26.389 -2.839 -9.733 1.00 0.00 C ATOM 355 C ARG A 24 -26.495 -2.676 -11.251 1.00 0.00 C ATOM 356 O ARG A 24 -27.564 -2.784 -11.822 1.00 0.00 O ATOM 357 CB ARG A 24 -26.394 -1.473 -9.045 1.00 0.00 C ATOM 358 CG ARG A 24 -27.804 -0.880 -9.095 1.00 0.00 C ATOM 359 CD ARG A 24 -27.931 0.037 -10.313 1.00 0.00 C ATOM 360 NE ARG A 24 -27.487 1.375 -9.835 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.125 2.449 -10.216 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.359 2.643 -9.839 1.00 0.00 N ATOM 363 NH2 ARG A 24 -27.528 3.329 -10.973 1.00 0.00 N ATOM 0 H ARG A 24 -24.369 -2.794 -9.039 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.232 -3.455 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -26.067 -1.574 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.689 -0.803 -9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.544 -1.679 -9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -28.007 -0.320 -8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.310 -0.314 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.958 0.069 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.685 1.453 -9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -29.825 1.956 -9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -29.857 3.482 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -26.563 3.178 -11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -28.026 4.168 -11.270 1.00 0.00 H new ATOM 377 N GLU A 25 -25.391 -2.418 -11.904 1.00 0.00 N ATOM 378 CA GLU A 25 -25.416 -2.247 -13.389 1.00 0.00 C ATOM 379 C GLU A 25 -25.763 -3.575 -14.067 1.00 0.00 C ATOM 380 O GLU A 25 -26.337 -3.603 -15.139 1.00 0.00 O ATOM 381 CB GLU A 25 -24.000 -1.807 -13.770 1.00 0.00 C ATOM 382 CG GLU A 25 -24.070 -0.804 -14.923 1.00 0.00 C ATOM 383 CD GLU A 25 -22.656 -0.357 -15.299 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.049 -1.016 -16.128 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.204 0.635 -14.752 1.00 0.00 O ATOM 0 H GLU A 25 -24.472 -2.318 -11.473 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.164 -1.520 -13.705 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.505 -1.355 -12.911 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.405 -2.672 -14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.560 -1.258 -15.784 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -24.670 0.058 -14.633 1.00 0.00 H new ATOM 392 N GLU A 26 -25.419 -4.676 -13.446 1.00 0.00 N ATOM 393 CA GLU A 26 -25.725 -6.009 -14.047 1.00 0.00 C ATOM 394 C GLU A 26 -27.031 -6.568 -13.471 1.00 0.00 C ATOM 395 O GLU A 26 -27.250 -7.765 -13.466 1.00 0.00 O ATOM 396 CB GLU A 26 -24.544 -6.898 -13.657 1.00 0.00 C ATOM 397 CG GLU A 26 -24.526 -8.142 -14.547 1.00 0.00 C ATOM 398 CD GLU A 26 -23.789 -7.829 -15.850 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.737 -7.216 -15.779 1.00 0.00 O ATOM 400 OE2 GLU A 26 -24.290 -8.207 -16.897 1.00 0.00 O ATOM 0 H GLU A 26 -24.938 -4.708 -12.547 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.856 -5.953 -15.128 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.610 -6.347 -13.765 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.624 -7.188 -12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.035 -8.966 -14.028 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -25.545 -8.463 -14.762 1.00 0.00 H new ATOM 407 N HIS A 27 -27.899 -5.712 -12.991 1.00 0.00 N ATOM 408 CA HIS A 27 -29.193 -6.189 -12.417 1.00 0.00 C ATOM 409 C HIS A 27 -30.337 -5.916 -13.398 1.00 0.00 C ATOM 410 O HIS A 27 -31.173 -6.765 -13.639 1.00 0.00 O ATOM 411 CB HIS A 27 -29.379 -5.378 -11.135 1.00 0.00 C ATOM 412 CG HIS A 27 -30.566 -5.902 -10.376 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.438 -6.818 -9.343 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.911 -5.649 -10.486 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.672 -7.078 -8.876 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.608 -6.393 -9.538 1.00 0.00 N ATOM 0 H HIS A 27 -27.766 -4.701 -12.972 1.00 0.00 H new ATOM 0 HA HIS A 27 -29.190 -7.262 -12.223 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.483 -5.443 -10.518 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -29.525 -4.325 -11.376 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -32.360 -4.975 -11.200 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.881 -7.758 -8.064 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.616 -6.411 -9.383 1.00 0.00 H new ATOM 424 N LYS A 28 -30.374 -4.735 -13.962 1.00 0.00 N ATOM 425 CA LYS A 28 -31.463 -4.395 -14.930 1.00 0.00 C ATOM 426 C LYS A 28 -31.416 -5.335 -16.139 1.00 0.00 C ATOM 427 O LYS A 28 -32.420 -5.580 -16.782 1.00 0.00 O ATOM 428 CB LYS A 28 -31.180 -2.954 -15.365 1.00 0.00 C ATOM 429 CG LYS A 28 -32.410 -2.383 -16.073 1.00 0.00 C ATOM 430 CD LYS A 28 -32.143 -0.928 -16.466 1.00 0.00 C ATOM 431 CE LYS A 28 -33.346 -0.378 -17.236 1.00 0.00 C ATOM 432 NZ LYS A 28 -34.354 -0.052 -16.189 1.00 0.00 N ATOM 0 H LYS A 28 -29.697 -3.991 -13.794 1.00 0.00 H new ATOM 0 HA LYS A 28 -32.452 -4.500 -14.483 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -30.931 -2.343 -14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.318 -2.927 -16.032 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -32.640 -2.974 -16.960 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -33.279 -2.440 -15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -31.962 -0.327 -15.575 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -31.245 -0.865 -17.080 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -33.075 0.506 -17.813 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -33.733 -1.113 -17.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -35.261 -0.501 -16.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -34.025 -0.406 -15.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -34.480 0.979 -16.138 1.00 0.00 H new ATOM 446 N LYS A 29 -30.257 -5.862 -16.452 1.00 0.00 N ATOM 447 CA LYS A 29 -30.140 -6.788 -17.622 1.00 0.00 C ATOM 448 C LYS A 29 -31.045 -8.009 -17.432 1.00 0.00 C ATOM 449 O LYS A 29 -31.486 -8.618 -18.389 1.00 0.00 O ATOM 450 CB LYS A 29 -28.669 -7.213 -17.654 1.00 0.00 C ATOM 451 CG LYS A 29 -27.825 -6.087 -18.254 1.00 0.00 C ATOM 452 CD LYS A 29 -26.357 -6.514 -18.293 1.00 0.00 C ATOM 453 CE LYS A 29 -25.534 -5.448 -19.019 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.190 -6.063 -19.208 1.00 0.00 N ATOM 0 H LYS A 29 -29.387 -5.691 -15.948 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.446 -6.309 -18.552 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.324 -7.443 -16.646 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.555 -8.122 -18.245 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.174 -5.854 -19.260 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.935 -5.180 -17.660 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.980 -6.652 -17.279 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.260 -7.473 -18.802 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.985 -5.184 -19.975 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.470 -4.531 -18.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.455 -5.339 -19.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.056 -6.825 -18.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.119 -6.454 -20.169 1.00 0.00 H new ATOM 468 N LYS A 30 -31.322 -8.371 -16.205 1.00 0.00 N ATOM 469 CA LYS A 30 -32.199 -9.555 -15.946 1.00 0.00 C ATOM 470 C LYS A 30 -33.290 -9.212 -14.925 1.00 0.00 C ATOM 471 O LYS A 30 -33.858 -10.090 -14.303 1.00 0.00 O ATOM 472 CB LYS A 30 -31.261 -10.635 -15.394 1.00 0.00 C ATOM 473 CG LYS A 30 -30.560 -10.133 -14.121 1.00 0.00 C ATOM 474 CD LYS A 30 -29.040 -10.171 -14.311 1.00 0.00 C ATOM 475 CE LYS A 30 -28.570 -11.625 -14.382 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.286 -11.578 -15.134 1.00 0.00 N ATOM 0 H LYS A 30 -30.978 -7.897 -15.369 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.714 -9.884 -16.849 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.827 -11.540 -15.173 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.518 -10.900 -16.146 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.881 -9.116 -13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.844 -10.753 -13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.764 -9.644 -15.224 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.547 -9.658 -13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.429 -12.043 -13.385 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.302 -12.252 -14.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.901 -12.540 -15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.453 -11.182 -16.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.606 -10.979 -14.623 1.00 0.00 H new ATOM 490 N HIS A 31 -33.592 -7.947 -14.752 1.00 0.00 N ATOM 491 CA HIS A 31 -34.651 -7.552 -13.774 1.00 0.00 C ATOM 492 C HIS A 31 -35.418 -6.324 -14.292 1.00 0.00 C ATOM 493 O HIS A 31 -35.212 -5.225 -13.816 1.00 0.00 O ATOM 494 CB HIS A 31 -33.897 -7.215 -12.484 1.00 0.00 C ATOM 495 CG HIS A 31 -33.185 -8.442 -11.984 1.00 0.00 C ATOM 496 ND1 HIS A 31 -31.869 -8.675 -11.669 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 -33.844 -9.640 -11.762 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 -31.712 -9.995 -11.258 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 -32.932 -10.532 -11.335 1.00 0.00 N flip ATOM 0 H HIS A 31 -33.150 -7.172 -15.247 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.386 -8.342 -13.618 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.180 -6.415 -12.668 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.593 -6.852 -11.728 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -34.898 -9.824 -11.906 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -30.800 -10.481 -10.944 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -33.146 -11.501 -11.099 1.00 0.00 H new ATOM 507 N PRO A 32 -36.286 -6.542 -15.259 1.00 0.00 N ATOM 508 CA PRO A 32 -37.074 -5.419 -15.826 1.00 0.00 C ATOM 509 C PRO A 32 -38.152 -4.969 -14.835 1.00 0.00 C ATOM 510 O PRO A 32 -38.332 -3.791 -14.594 1.00 0.00 O ATOM 511 CB PRO A 32 -37.706 -6.018 -17.080 1.00 0.00 C ATOM 512 CG PRO A 32 -37.763 -7.489 -16.823 1.00 0.00 C ATOM 513 CD PRO A 32 -36.614 -7.824 -15.908 1.00 0.00 C ATOM 0 HA PRO A 32 -36.469 -4.538 -16.040 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.701 -5.609 -17.253 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.111 -5.795 -17.966 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.713 -7.763 -16.364 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -37.687 -8.046 -17.757 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.895 -8.581 -15.176 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.764 -8.218 -16.464 1.00 0.00 H new ATOM 521 N ASP A 33 -38.869 -5.903 -14.263 1.00 0.00 N ATOM 522 CA ASP A 33 -39.940 -5.540 -13.287 1.00 0.00 C ATOM 523 C ASP A 33 -39.488 -5.867 -11.860 1.00 0.00 C ATOM 524 O ASP A 33 -40.056 -6.712 -11.195 1.00 0.00 O ATOM 525 CB ASP A 33 -41.142 -6.399 -13.683 1.00 0.00 C ATOM 526 CG ASP A 33 -42.401 -5.864 -12.996 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.512 -6.035 -11.792 1.00 0.00 O ATOM 528 OD2 ASP A 33 -43.231 -5.294 -13.684 1.00 0.00 O ATOM 0 H ASP A 33 -38.758 -6.903 -14.430 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.176 -4.476 -13.307 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.272 -6.385 -14.765 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.971 -7.437 -13.396 1.00 0.00 H new ATOM 533 N SER A 34 -38.465 -5.200 -11.388 1.00 0.00 N ATOM 534 CA SER A 34 -37.966 -5.462 -10.005 1.00 0.00 C ATOM 535 C SER A 34 -37.282 -4.213 -9.442 1.00 0.00 C ATOM 536 O SER A 34 -37.565 -3.785 -8.339 1.00 0.00 O ATOM 537 CB SER A 34 -36.959 -6.601 -10.158 1.00 0.00 C ATOM 538 OG SER A 34 -37.638 -7.845 -10.052 1.00 0.00 O ATOM 0 H SER A 34 -37.953 -4.484 -11.903 1.00 0.00 H new ATOM 0 HA SER A 34 -38.772 -5.719 -9.317 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.455 -6.529 -11.122 1.00 0.00 H new ATOM 0 HB3 SER A 34 -36.189 -6.527 -9.390 1.00 0.00 H new ATOM 0 HG SER A 34 -38.588 -7.717 -10.255 1.00 0.00 H new ATOM 544 N SER A 35 -36.379 -3.626 -10.193 1.00 0.00 N ATOM 545 CA SER A 35 -35.660 -2.398 -9.717 1.00 0.00 C ATOM 546 C SER A 35 -34.995 -2.650 -8.366 1.00 0.00 C ATOM 547 O SER A 35 -35.148 -3.702 -7.772 1.00 0.00 O ATOM 548 CB SER A 35 -36.730 -1.309 -9.600 1.00 0.00 C ATOM 549 OG SER A 35 -37.510 -1.287 -10.788 1.00 0.00 O ATOM 0 H SER A 35 -36.107 -3.947 -11.122 1.00 0.00 H new ATOM 0 HA SER A 35 -34.867 -2.107 -10.405 1.00 0.00 H new ATOM 0 HB2 SER A 35 -37.367 -1.500 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 35 -36.261 -0.338 -9.441 1.00 0.00 H new ATOM 0 HG SER A 35 -38.197 -0.592 -10.715 1.00 0.00 H new ATOM 555 N VAL A 36 -34.243 -1.695 -7.889 1.00 0.00 N ATOM 556 CA VAL A 36 -33.544 -1.869 -6.584 1.00 0.00 C ATOM 557 C VAL A 36 -33.417 -0.525 -5.859 1.00 0.00 C ATOM 558 O VAL A 36 -32.822 0.408 -6.365 1.00 0.00 O ATOM 559 CB VAL A 36 -32.162 -2.425 -6.951 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.319 -3.774 -7.657 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.429 -1.450 -7.880 1.00 0.00 C ATOM 0 H VAL A 36 -34.082 -0.799 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 36 -34.085 -2.533 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 36 -31.582 -2.554 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.335 -4.166 -7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.826 -4.475 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -32.908 -3.643 -8.565 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.450 -1.856 -8.133 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -32.010 -1.309 -8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.305 -0.491 -7.377 1.00 0.00 H new ATOM 571 N ASN A 37 -33.969 -0.425 -4.675 1.00 0.00 N ATOM 572 CA ASN A 37 -33.881 0.853 -3.905 1.00 0.00 C ATOM 573 C ASN A 37 -32.632 0.840 -3.018 1.00 0.00 C ATOM 574 O ASN A 37 -32.701 1.087 -1.830 1.00 0.00 O ATOM 575 CB ASN A 37 -35.150 0.887 -3.052 1.00 0.00 C ATOM 576 CG ASN A 37 -35.193 2.187 -2.247 1.00 0.00 C ATOM 577 OD1 ASN A 37 -35.066 3.263 -2.798 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.369 2.133 -0.954 1.00 0.00 N ATOM 0 H ASN A 37 -34.478 -1.176 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.805 1.728 -4.551 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -36.031 0.813 -3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -35.171 0.030 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -35.400 2.993 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.476 1.230 -0.491 1.00 0.00 H new ATOM 585 N PHE A 38 -31.495 0.547 -3.597 1.00 0.00 N ATOM 586 CA PHE A 38 -30.216 0.498 -2.820 1.00 0.00 C ATOM 587 C PHE A 38 -30.321 -0.496 -1.655 1.00 0.00 C ATOM 588 O PHE A 38 -29.923 -1.627 -1.783 1.00 0.00 O ATOM 589 CB PHE A 38 -29.960 1.923 -2.316 1.00 0.00 C ATOM 590 CG PHE A 38 -29.815 2.852 -3.497 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.617 2.878 -4.222 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.876 3.684 -3.869 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.482 3.738 -5.318 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.740 4.544 -4.965 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.542 4.570 -5.690 1.00 0.00 C ATOM 0 H PHE A 38 -31.396 0.336 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.390 0.154 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.783 2.250 -1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -29.057 1.948 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.798 2.235 -3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.800 3.663 -3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.558 3.759 -5.877 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.559 5.187 -5.252 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.437 5.233 -6.536 1.00 0.00 H new ATOM 605 N ALA A 39 -30.842 -0.091 -0.519 1.00 0.00 N ATOM 606 CA ALA A 39 -30.943 -1.033 0.649 1.00 0.00 C ATOM 607 C ALA A 39 -31.595 -2.360 0.261 1.00 0.00 C ATOM 608 O ALA A 39 -31.373 -3.366 0.905 1.00 0.00 O ATOM 609 CB ALA A 39 -31.789 -0.298 1.691 1.00 0.00 C ATOM 0 H ALA A 39 -31.201 0.848 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.954 -1.292 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -31.906 -0.926 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.295 0.632 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.770 -0.076 1.272 1.00 0.00 H new ATOM 615 N GLU A 40 -32.376 -2.383 -0.785 1.00 0.00 N ATOM 616 CA GLU A 40 -33.004 -3.670 -1.203 1.00 0.00 C ATOM 617 C GLU A 40 -31.973 -4.536 -1.940 1.00 0.00 C ATOM 618 O GLU A 40 -32.143 -5.733 -2.073 1.00 0.00 O ATOM 619 CB GLU A 40 -34.154 -3.278 -2.132 1.00 0.00 C ATOM 620 CG GLU A 40 -35.238 -2.558 -1.326 1.00 0.00 C ATOM 621 CD GLU A 40 -36.560 -2.604 -2.093 1.00 0.00 C ATOM 622 OE1 GLU A 40 -37.068 -3.694 -2.296 1.00 0.00 O ATOM 623 OE2 GLU A 40 -37.042 -1.547 -2.466 1.00 0.00 O ATOM 0 H GLU A 40 -32.605 -1.575 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.362 -4.253 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.788 -2.630 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.569 -4.166 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.355 -3.030 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -34.946 -1.523 -1.146 1.00 0.00 H new ATOM 630 N PHE A 41 -30.900 -3.939 -2.408 1.00 0.00 N ATOM 631 CA PHE A 41 -29.854 -4.724 -3.123 1.00 0.00 C ATOM 632 C PHE A 41 -28.519 -4.593 -2.386 1.00 0.00 C ATOM 633 O PHE A 41 -27.811 -5.560 -2.178 1.00 0.00 O ATOM 634 CB PHE A 41 -29.780 -4.098 -4.518 1.00 0.00 C ATOM 635 CG PHE A 41 -28.759 -4.826 -5.358 1.00 0.00 C ATOM 636 CD1 PHE A 41 -29.038 -6.107 -5.846 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.534 -4.215 -5.652 1.00 0.00 C ATOM 638 CE1 PHE A 41 -28.091 -6.778 -6.631 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.587 -4.886 -6.435 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.866 -6.167 -6.925 1.00 0.00 C ATOM 0 H PHE A 41 -30.708 -2.941 -2.323 1.00 0.00 H new ATOM 0 HA PHE A 41 -30.082 -5.789 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.757 -4.144 -4.998 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -29.513 -3.044 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.983 -6.578 -5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -27.320 -3.226 -5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.306 -7.766 -7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.642 -4.415 -6.661 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.136 -6.684 -7.530 1.00 0.00 H new ATOM 650 N SER A 42 -28.194 -3.401 -1.971 1.00 0.00 N ATOM 651 CA SER A 42 -26.926 -3.167 -1.214 1.00 0.00 C ATOM 652 C SER A 42 -26.890 -4.057 0.036 1.00 0.00 C ATOM 653 O SER A 42 -25.836 -4.358 0.565 1.00 0.00 O ATOM 654 CB SER A 42 -26.978 -1.686 -0.825 1.00 0.00 C ATOM 655 OG SER A 42 -27.891 -1.513 0.249 1.00 0.00 O ATOM 0 H SER A 42 -28.759 -2.566 -2.125 1.00 0.00 H new ATOM 0 HA SER A 42 -26.036 -3.406 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.986 -1.340 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.287 -1.085 -1.680 1.00 0.00 H new ATOM 0 HG SER A 42 -27.925 -0.566 0.500 1.00 0.00 H new ATOM 661 N LYS A 43 -28.041 -4.485 0.503 1.00 0.00 N ATOM 662 CA LYS A 43 -28.092 -5.362 1.709 1.00 0.00 C ATOM 663 C LYS A 43 -27.574 -6.760 1.362 1.00 0.00 C ATOM 664 O LYS A 43 -27.005 -7.445 2.191 1.00 0.00 O ATOM 665 CB LYS A 43 -29.575 -5.425 2.089 1.00 0.00 C ATOM 666 CG LYS A 43 -29.862 -4.417 3.204 1.00 0.00 C ATOM 667 CD LYS A 43 -31.285 -4.624 3.726 1.00 0.00 C ATOM 668 CE LYS A 43 -31.335 -5.885 4.591 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.671 -5.847 5.249 1.00 0.00 N ATOM 0 H LYS A 43 -28.949 -4.261 0.096 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.476 -4.982 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.194 -5.206 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.834 -6.431 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.144 -4.542 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.745 -3.400 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.599 -3.758 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.980 -4.715 2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.218 -6.784 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.532 -5.890 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -32.781 -6.681 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -32.751 -4.984 5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -33.416 -5.850 4.523 1.00 0.00 H new ATOM 683 N LYS A 44 -27.770 -7.185 0.140 1.00 0.00 N ATOM 684 CA LYS A 44 -27.298 -8.540 -0.275 1.00 0.00 C ATOM 685 C LYS A 44 -25.825 -8.482 -0.693 1.00 0.00 C ATOM 686 O LYS A 44 -25.061 -9.390 -0.425 1.00 0.00 O ATOM 687 CB LYS A 44 -28.184 -8.922 -1.467 1.00 0.00 C ATOM 688 CG LYS A 44 -28.654 -10.370 -1.316 1.00 0.00 C ATOM 689 CD LYS A 44 -27.544 -11.319 -1.772 1.00 0.00 C ATOM 690 CE LYS A 44 -27.643 -11.534 -3.284 1.00 0.00 C ATOM 691 NZ LYS A 44 -28.762 -12.500 -3.462 1.00 0.00 N ATOM 0 H LYS A 44 -28.239 -6.649 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.369 -9.268 0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.044 -8.254 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.629 -8.805 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.915 -10.572 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.554 -10.535 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.569 -10.904 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -27.631 -12.273 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -27.844 -10.597 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -26.711 -11.930 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -28.394 -13.389 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.209 -12.687 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -29.466 -12.099 -4.114 1.00 0.00 H new ATOM 705 N CYS A 45 -25.424 -7.420 -1.347 1.00 0.00 N ATOM 706 CA CYS A 45 -23.998 -7.299 -1.784 1.00 0.00 C ATOM 707 C CYS A 45 -23.072 -7.317 -0.566 1.00 0.00 C ATOM 708 O CYS A 45 -21.960 -7.810 -0.628 1.00 0.00 O ATOM 709 CB CYS A 45 -23.907 -5.956 -2.512 1.00 0.00 C ATOM 710 SG CYS A 45 -24.626 -6.115 -4.166 1.00 0.00 S ATOM 0 H CYS A 45 -26.022 -6.632 -1.597 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.695 -8.125 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.435 -5.188 -1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.866 -5.640 -2.585 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.403 -5.099 -4.401 1.00 0.00 H new ATOM 716 N SER A 46 -23.525 -6.788 0.544 1.00 0.00 N ATOM 717 CA SER A 46 -22.677 -6.778 1.776 1.00 0.00 C ATOM 718 C SER A 46 -22.412 -8.213 2.236 1.00 0.00 C ATOM 719 O SER A 46 -21.338 -8.535 2.710 1.00 0.00 O ATOM 720 CB SER A 46 -23.491 -6.019 2.824 1.00 0.00 C ATOM 721 OG SER A 46 -24.732 -6.683 3.026 1.00 0.00 O ATOM 0 H SER A 46 -24.446 -6.362 0.650 1.00 0.00 H new ATOM 0 HA SER A 46 -21.708 -6.309 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.938 -5.965 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.663 -4.994 2.495 1.00 0.00 H new ATOM 0 HG SER A 46 -25.382 -6.370 2.363 1.00 0.00 H new ATOM 727 N GLU A 47 -23.386 -9.078 2.095 1.00 0.00 N ATOM 728 CA GLU A 47 -23.198 -10.499 2.518 1.00 0.00 C ATOM 729 C GLU A 47 -22.124 -11.164 1.653 1.00 0.00 C ATOM 730 O GLU A 47 -21.440 -12.070 2.088 1.00 0.00 O ATOM 731 CB GLU A 47 -24.555 -11.171 2.296 1.00 0.00 C ATOM 732 CG GLU A 47 -25.439 -10.954 3.526 1.00 0.00 C ATOM 733 CD GLU A 47 -24.881 -11.755 4.704 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.986 -12.970 4.670 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.360 -11.140 5.619 1.00 0.00 O ATOM 0 H GLU A 47 -24.303 -8.861 1.705 1.00 0.00 H new ATOM 0 HA GLU A 47 -22.873 -10.580 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.037 -10.757 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.420 -12.237 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.476 -9.894 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.461 -11.266 3.312 1.00 0.00 H new ATOM 742 N ARG A 48 -21.972 -10.715 0.432 1.00 0.00 N ATOM 743 CA ARG A 48 -20.941 -11.311 -0.470 1.00 0.00 C ATOM 744 C ARG A 48 -19.622 -10.547 -0.337 1.00 0.00 C ATOM 745 O ARG A 48 -18.553 -11.128 -0.349 1.00 0.00 O ATOM 746 CB ARG A 48 -21.512 -11.154 -1.880 1.00 0.00 C ATOM 747 CG ARG A 48 -20.763 -12.079 -2.841 1.00 0.00 C ATOM 748 CD ARG A 48 -21.006 -11.625 -4.282 1.00 0.00 C ATOM 749 NE ARG A 48 -22.461 -11.842 -4.512 1.00 0.00 N ATOM 750 CZ ARG A 48 -22.892 -12.172 -5.698 1.00 0.00 C ATOM 751 NH1 ARG A 48 -22.417 -13.232 -6.294 1.00 0.00 N ATOM 752 NH2 ARG A 48 -23.798 -11.443 -6.290 1.00 0.00 N ATOM 0 H ARG A 48 -22.520 -9.959 0.021 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.731 -12.353 -0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.575 -11.394 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.419 -10.119 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.696 -12.064 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.101 -13.107 -2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -20.737 -10.577 -4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.405 -12.202 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 48 -23.121 -11.733 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.709 -13.802 -5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -22.754 -13.490 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -24.170 -10.615 -5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -24.135 -11.702 -7.217 1.00 0.00 H new ATOM 766 N TRP A 49 -19.694 -9.247 -0.208 1.00 0.00 N ATOM 767 CA TRP A 49 -18.450 -8.427 -0.069 1.00 0.00 C ATOM 768 C TRP A 49 -17.699 -8.820 1.209 1.00 0.00 C ATOM 769 O TRP A 49 -16.523 -9.129 1.178 1.00 0.00 O ATOM 770 CB TRP A 49 -18.938 -6.974 0.008 1.00 0.00 C ATOM 771 CG TRP A 49 -17.771 -6.047 0.165 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.580 -5.214 1.213 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.638 -5.848 -0.728 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.403 -4.516 1.020 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.786 -4.871 -0.163 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.270 -6.414 -1.963 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.610 -4.470 -0.798 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.088 -6.013 -2.605 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.260 -5.042 -2.024 1.00 0.00 C ATOM 0 H TRP A 49 -20.564 -8.715 -0.193 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.758 -8.576 -0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.495 -6.721 -0.894 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.622 -6.856 0.848 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.239 -5.111 2.062 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.035 -3.823 1.672 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -16.901 -7.162 -2.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.975 -3.723 -0.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -14.815 -6.455 -3.552 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.353 -4.736 -2.524 1.00 0.00 H new ATOM 790 N LYS A 50 -18.373 -8.803 2.330 1.00 0.00 N ATOM 791 CA LYS A 50 -17.705 -9.167 3.619 1.00 0.00 C ATOM 792 C LYS A 50 -17.227 -10.623 3.585 1.00 0.00 C ATOM 793 O LYS A 50 -16.291 -10.989 4.271 1.00 0.00 O ATOM 794 CB LYS A 50 -18.778 -8.978 4.696 1.00 0.00 C ATOM 795 CG LYS A 50 -18.563 -7.640 5.409 1.00 0.00 C ATOM 796 CD LYS A 50 -19.882 -7.167 6.021 1.00 0.00 C ATOM 797 CE LYS A 50 -19.593 -6.251 7.212 1.00 0.00 C ATOM 798 NZ LYS A 50 -20.930 -5.941 7.792 1.00 0.00 N ATOM 0 H LYS A 50 -19.359 -8.553 2.410 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.825 -8.552 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.769 -9.005 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.733 -9.796 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.808 -7.748 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.190 -6.897 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.471 -6.635 5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.474 -8.024 6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.950 -6.743 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.079 -5.343 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.815 -5.316 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.517 -5.467 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.392 -6.824 8.090 1.00 0.00 H new ATOM 812 N THR A 51 -17.862 -11.452 2.795 1.00 0.00 N ATOM 813 CA THR A 51 -17.446 -12.886 2.716 1.00 0.00 C ATOM 814 C THR A 51 -16.440 -13.102 1.577 1.00 0.00 C ATOM 815 O THR A 51 -15.748 -14.101 1.541 1.00 0.00 O ATOM 816 CB THR A 51 -18.736 -13.659 2.442 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.352 -13.145 1.270 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.687 -13.509 3.630 1.00 0.00 C ATOM 0 H THR A 51 -18.651 -11.198 2.201 1.00 0.00 H new ATOM 0 HA THR A 51 -16.954 -13.215 3.631 1.00 0.00 H new ATOM 0 HB THR A 51 -18.505 -14.714 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.326 -13.188 1.367 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.606 -14.061 3.432 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.212 -13.904 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.922 -12.455 3.777 1.00 0.00 H new ATOM 826 N MET A 52 -16.354 -12.178 0.647 1.00 0.00 N ATOM 827 CA MET A 52 -15.389 -12.337 -0.491 1.00 0.00 C ATOM 828 C MET A 52 -13.963 -12.536 0.038 1.00 0.00 C ATOM 829 O MET A 52 -13.625 -12.088 1.117 1.00 0.00 O ATOM 830 CB MET A 52 -15.487 -11.032 -1.287 1.00 0.00 C ATOM 831 CG MET A 52 -16.577 -11.166 -2.355 1.00 0.00 C ATOM 832 SD MET A 52 -15.835 -11.678 -3.927 1.00 0.00 S ATOM 833 CE MET A 52 -15.454 -10.021 -4.546 1.00 0.00 C ATOM 0 H MET A 52 -16.909 -11.322 0.627 1.00 0.00 H new ATOM 0 HA MET A 52 -15.623 -13.207 -1.104 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.718 -10.202 -0.619 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.529 -10.807 -1.756 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.321 -11.897 -2.039 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.096 -10.216 -2.480 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.478 -10.025 -5.636 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.193 -9.313 -4.170 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.462 -9.725 -4.206 1.00 0.00 H new ATOM 843 N SER A 53 -13.131 -13.209 -0.716 1.00 0.00 N ATOM 844 CA SER A 53 -11.727 -13.449 -0.264 1.00 0.00 C ATOM 845 C SER A 53 -10.866 -12.209 -0.519 1.00 0.00 C ATOM 846 O SER A 53 -11.235 -11.331 -1.275 1.00 0.00 O ATOM 847 CB SER A 53 -11.232 -14.626 -1.105 1.00 0.00 C ATOM 848 OG SER A 53 -10.066 -15.174 -0.506 1.00 0.00 O ATOM 0 H SER A 53 -13.364 -13.603 -1.627 1.00 0.00 H new ATOM 0 HA SER A 53 -11.671 -13.659 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.009 -15.387 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.012 -14.295 -2.120 1.00 0.00 H new ATOM 0 HG SER A 53 -9.747 -15.930 -1.042 1.00 0.00 H new ATOM 854 N ALA A 54 -9.719 -12.137 0.108 1.00 0.00 N ATOM 855 CA ALA A 54 -8.820 -10.958 -0.090 1.00 0.00 C ATOM 856 C ALA A 54 -8.289 -10.930 -1.527 1.00 0.00 C ATOM 857 O ALA A 54 -7.957 -9.884 -2.051 1.00 0.00 O ATOM 858 CB ALA A 54 -7.672 -11.155 0.901 1.00 0.00 C ATOM 0 H ALA A 54 -9.365 -12.846 0.750 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.341 -10.015 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.970 -10.326 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.069 -11.189 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.158 -12.091 0.681 1.00 0.00 H new ATOM 864 N LYS A 55 -8.209 -12.071 -2.166 1.00 0.00 N ATOM 865 CA LYS A 55 -7.702 -12.112 -3.572 1.00 0.00 C ATOM 866 C LYS A 55 -8.717 -11.453 -4.506 1.00 0.00 C ATOM 867 O LYS A 55 -8.362 -10.862 -5.509 1.00 0.00 O ATOM 868 CB LYS A 55 -7.552 -13.598 -3.905 1.00 0.00 C ATOM 869 CG LYS A 55 -6.269 -14.136 -3.270 1.00 0.00 C ATOM 870 CD LYS A 55 -6.213 -15.656 -3.440 1.00 0.00 C ATOM 871 CE LYS A 55 -4.815 -16.160 -3.073 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.982 -17.621 -2.843 1.00 0.00 N ATOM 0 H LYS A 55 -8.473 -12.975 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.759 -11.578 -3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.414 -14.153 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.522 -13.738 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.399 -13.675 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.238 -13.876 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.961 -16.131 -2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.450 -15.926 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.102 -15.965 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.437 -15.660 -2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.065 -18.039 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.661 -17.775 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.337 -18.071 -3.711 1.00 0.00 H new ATOM 886 N GLU A 56 -9.978 -11.546 -4.174 1.00 0.00 N ATOM 887 CA GLU A 56 -11.033 -10.926 -5.026 1.00 0.00 C ATOM 888 C GLU A 56 -11.339 -9.513 -4.529 1.00 0.00 C ATOM 889 O GLU A 56 -11.557 -8.603 -5.307 1.00 0.00 O ATOM 890 CB GLU A 56 -12.253 -11.831 -4.859 1.00 0.00 C ATOM 891 CG GLU A 56 -12.046 -13.116 -5.661 1.00 0.00 C ATOM 892 CD GLU A 56 -13.393 -13.806 -5.877 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.200 -13.268 -6.618 1.00 0.00 O ATOM 894 OE2 GLU A 56 -13.595 -14.861 -5.300 1.00 0.00 O ATOM 0 H GLU A 56 -10.323 -12.028 -3.344 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.731 -10.839 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.403 -12.067 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.151 -11.316 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.585 -12.887 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.365 -13.782 -5.131 1.00 0.00 H new ATOM 901 N LYS A 57 -11.348 -9.326 -3.234 1.00 0.00 N ATOM 902 CA LYS A 57 -11.632 -7.973 -2.666 1.00 0.00 C ATOM 903 C LYS A 57 -10.492 -7.003 -3.007 1.00 0.00 C ATOM 904 O LYS A 57 -10.676 -5.800 -3.011 1.00 0.00 O ATOM 905 CB LYS A 57 -11.719 -8.182 -1.153 1.00 0.00 C ATOM 906 CG LYS A 57 -13.180 -8.382 -0.748 1.00 0.00 C ATOM 907 CD LYS A 57 -13.368 -7.964 0.712 1.00 0.00 C ATOM 908 CE LYS A 57 -12.778 -9.037 1.629 1.00 0.00 C ATOM 909 NZ LYS A 57 -12.725 -8.403 2.977 1.00 0.00 N ATOM 0 H LYS A 57 -11.170 -10.055 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.549 -7.544 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.128 -9.050 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.301 -7.321 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.831 -7.792 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.465 -9.426 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.879 -7.007 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.427 -7.827 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.398 -9.933 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.785 -9.340 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.331 -9.078 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.122 -7.556 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.685 -8.132 3.271 1.00 0.00 H new ATOM 923 N SER A 58 -9.319 -7.517 -3.292 1.00 0.00 N ATOM 924 CA SER A 58 -8.169 -6.624 -3.632 1.00 0.00 C ATOM 925 C SER A 58 -8.386 -5.977 -5.003 1.00 0.00 C ATOM 926 O SER A 58 -7.935 -4.876 -5.256 1.00 0.00 O ATOM 927 CB SER A 58 -6.943 -7.539 -3.660 1.00 0.00 C ATOM 928 OG SER A 58 -7.182 -8.618 -4.553 1.00 0.00 O ATOM 0 H SER A 58 -9.110 -8.515 -3.304 1.00 0.00 H new ATOM 0 HA SER A 58 -8.054 -5.813 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.064 -6.978 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.736 -7.919 -2.660 1.00 0.00 H new ATOM 0 HG SER A 58 -6.398 -9.205 -4.574 1.00 0.00 H new ATOM 934 N LYS A 59 -9.072 -6.658 -5.887 1.00 0.00 N ATOM 935 CA LYS A 59 -9.322 -6.088 -7.247 1.00 0.00 C ATOM 936 C LYS A 59 -10.145 -4.801 -7.138 1.00 0.00 C ATOM 937 O LYS A 59 -10.038 -3.915 -7.964 1.00 0.00 O ATOM 938 CB LYS A 59 -10.109 -7.163 -7.999 1.00 0.00 C ATOM 939 CG LYS A 59 -10.054 -6.881 -9.501 1.00 0.00 C ATOM 940 CD LYS A 59 -10.299 -8.178 -10.275 1.00 0.00 C ATOM 941 CE LYS A 59 -11.782 -8.546 -10.197 1.00 0.00 C ATOM 942 NZ LYS A 59 -12.431 -7.758 -11.281 1.00 0.00 N ATOM 0 H LYS A 59 -9.470 -7.583 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.395 -5.833 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.692 -8.148 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.144 -7.175 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.805 -6.138 -9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.083 -6.464 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.998 -8.056 -11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.691 -8.982 -9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.932 -9.616 -10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.200 -8.296 -9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.381 -7.464 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.858 -6.915 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.508 -8.343 -12.137 1.00 0.00 H new ATOM 956 N PHE A 60 -10.963 -4.697 -6.122 1.00 0.00 N ATOM 957 CA PHE A 60 -11.799 -3.471 -5.949 1.00 0.00 C ATOM 958 C PHE A 60 -11.044 -2.429 -5.117 1.00 0.00 C ATOM 959 O PHE A 60 -11.249 -1.239 -5.266 1.00 0.00 O ATOM 960 CB PHE A 60 -13.048 -3.946 -5.207 1.00 0.00 C ATOM 961 CG PHE A 60 -13.973 -4.647 -6.172 1.00 0.00 C ATOM 962 CD1 PHE A 60 -13.840 -6.022 -6.395 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.965 -3.921 -6.844 1.00 0.00 C ATOM 964 CE1 PHE A 60 -14.698 -6.673 -7.290 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.823 -4.571 -7.738 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.689 -5.948 -7.961 1.00 0.00 C ATOM 0 H PHE A 60 -11.088 -5.410 -5.403 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.044 -3.000 -6.901 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.768 -4.622 -4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.557 -3.097 -4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.075 -6.581 -5.877 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.067 -2.860 -6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.595 -7.734 -7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.588 -4.012 -8.256 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.351 -6.450 -8.651 1.00 0.00 H new ATOM 976 N GLU A 61 -10.174 -2.872 -4.245 1.00 0.00 N ATOM 977 CA GLU A 61 -9.400 -1.914 -3.399 1.00 0.00 C ATOM 978 C GLU A 61 -8.277 -1.272 -4.218 1.00 0.00 C ATOM 979 O GLU A 61 -7.872 -0.154 -3.961 1.00 0.00 O ATOM 980 CB GLU A 61 -8.820 -2.759 -2.264 1.00 0.00 C ATOM 981 CG GLU A 61 -9.902 -3.017 -1.214 1.00 0.00 C ATOM 982 CD GLU A 61 -9.267 -3.631 0.035 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.572 -2.913 0.735 1.00 0.00 O ATOM 984 OE2 GLU A 61 -9.485 -4.807 0.269 1.00 0.00 O ATOM 0 H GLU A 61 -9.966 -3.857 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.023 -1.103 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.446 -3.705 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.973 -2.245 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.405 -2.084 -0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.661 -3.688 -1.616 1.00 0.00 H new ATOM 991 N ASP A 62 -7.775 -1.973 -5.202 1.00 0.00 N ATOM 992 CA ASP A 62 -6.676 -1.410 -6.046 1.00 0.00 C ATOM 993 C ASP A 62 -7.217 -0.284 -6.931 1.00 0.00 C ATOM 994 O ASP A 62 -6.514 0.658 -7.249 1.00 0.00 O ATOM 995 CB ASP A 62 -6.185 -2.578 -6.903 1.00 0.00 C ATOM 996 CG ASP A 62 -4.827 -2.230 -7.514 1.00 0.00 C ATOM 997 OD1 ASP A 62 -3.858 -2.193 -6.773 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.777 -2.007 -8.712 1.00 0.00 O ATOM 0 H ASP A 62 -8.079 -2.912 -5.459 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.872 -0.986 -5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.101 -3.479 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.906 -2.792 -7.692 1.00 0.00 H new ATOM 1003 N MET A 63 -8.460 -0.378 -7.330 1.00 0.00 N ATOM 1004 CA MET A 63 -9.057 0.682 -8.197 1.00 0.00 C ATOM 1005 C MET A 63 -9.521 1.864 -7.338 1.00 0.00 C ATOM 1006 O MET A 63 -9.542 2.995 -7.786 1.00 0.00 O ATOM 1007 CB MET A 63 -10.253 0.009 -8.886 1.00 0.00 C ATOM 1008 CG MET A 63 -10.142 0.182 -10.403 1.00 0.00 C ATOM 1009 SD MET A 63 -11.738 -0.189 -11.172 1.00 0.00 S ATOM 1010 CE MET A 63 -11.710 1.137 -12.403 1.00 0.00 C ATOM 0 H MET A 63 -9.088 -1.145 -7.092 1.00 0.00 H new ATOM 0 HA MET A 63 -8.344 1.076 -8.921 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.281 -1.051 -8.633 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.185 0.447 -8.528 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.839 1.201 -10.642 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.373 -0.480 -10.800 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.620 1.096 -13.002 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.651 2.101 -11.898 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.843 1.013 -13.051 1.00 0.00 H new ATOM 1020 N ALA A 64 -9.891 1.605 -6.110 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.354 2.708 -5.213 1.00 0.00 C ATOM 1022 C ALA A 64 -9.153 3.477 -4.658 1.00 0.00 C ATOM 1023 O ALA A 64 -9.240 4.657 -4.374 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.113 2.012 -4.083 1.00 0.00 C ATOM 0 H ALA A 64 -9.893 0.676 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.979 3.430 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.485 2.758 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.952 1.454 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.443 1.327 -3.563 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.034 2.816 -4.506 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.819 3.502 -3.971 1.00 0.00 C ATOM 1032 C LYS A 65 -6.160 4.342 -5.070 1.00 0.00 C ATOM 1033 O LYS A 65 -5.526 5.344 -4.798 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.885 2.375 -3.526 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.890 2.912 -2.496 1.00 0.00 C ATOM 1036 CD LYS A 65 -5.577 3.028 -1.133 1.00 0.00 C ATOM 1037 CE LYS A 65 -4.517 3.104 -0.032 1.00 0.00 C ATOM 1038 NZ LYS A 65 -4.163 1.686 0.258 1.00 0.00 N ATOM 0 H LYS A 65 -7.909 1.829 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.057 4.179 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.464 1.557 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.351 1.970 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.029 2.247 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.515 3.886 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.208 3.916 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.228 2.169 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.645 3.669 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.905 3.604 0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.173 1.633 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.785 1.319 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.283 1.115 -0.603 1.00 0.00 H new ATOM 1052 N SER A 66 -6.309 3.938 -6.305 1.00 0.00 N ATOM 1053 CA SER A 66 -5.695 4.710 -7.430 1.00 0.00 C ATOM 1054 C SER A 66 -6.456 6.021 -7.646 1.00 0.00 C ATOM 1055 O SER A 66 -5.889 7.017 -8.055 1.00 0.00 O ATOM 1056 CB SER A 66 -5.824 3.807 -8.656 1.00 0.00 C ATOM 1057 OG SER A 66 -5.092 4.373 -9.736 1.00 0.00 O ATOM 0 H SER A 66 -6.829 3.107 -6.585 1.00 0.00 H new ATOM 0 HA SER A 66 -4.656 4.973 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.447 2.810 -8.429 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.873 3.696 -8.931 1.00 0.00 H new ATOM 0 HG SER A 66 -5.172 3.795 -10.524 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.736 6.024 -7.371 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.544 7.267 -7.555 1.00 0.00 C ATOM 1065 C ASP A 67 -8.398 8.176 -6.332 1.00 0.00 C ATOM 1066 O ASP A 67 -8.488 9.385 -6.434 1.00 0.00 O ATOM 1067 CB ASP A 67 -9.988 6.783 -7.697 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.838 7.890 -8.322 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.195 8.811 -7.607 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.118 7.797 -9.507 1.00 0.00 O ATOM 0 H ASP A 67 -8.257 5.218 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.223 7.846 -8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.023 5.888 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.389 6.509 -6.721 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.174 7.599 -5.179 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.019 8.424 -3.941 1.00 0.00 C ATOM 1077 C LYS A 68 -6.722 9.235 -4.007 1.00 0.00 C ATOM 1078 O LYS A 68 -6.627 10.315 -3.454 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.963 7.418 -2.789 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.618 8.025 -1.547 1.00 0.00 C ATOM 1081 CD LYS A 68 -7.709 9.112 -0.970 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.099 9.384 0.485 1.00 0.00 C ATOM 1083 NZ LYS A 68 -6.963 10.166 1.047 1.00 0.00 N ATOM 0 H LYS A 68 -8.092 6.592 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.836 9.135 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.476 6.498 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.928 7.153 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.589 8.447 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.795 7.250 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.667 8.797 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.798 10.025 -1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.032 9.944 0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.249 8.454 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.156 10.391 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.090 9.605 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.849 11.048 0.508 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.725 8.719 -4.680 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.428 9.452 -4.790 1.00 0.00 C ATOM 1099 C ALA A 69 -4.471 10.430 -5.967 1.00 0.00 C ATOM 1100 O ALA A 69 -3.812 11.452 -5.959 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.380 8.366 -5.032 1.00 0.00 C ATOM 0 H ALA A 69 -5.754 7.819 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.208 10.039 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.395 8.825 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.378 7.669 -4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.618 7.829 -5.950 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.245 10.122 -6.978 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.337 11.030 -8.161 1.00 0.00 C ATOM 1109 C ARG A 70 -6.174 12.266 -7.814 1.00 0.00 C ATOM 1110 O ARG A 70 -5.981 13.332 -8.369 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.026 10.206 -9.250 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.870 10.908 -10.600 1.00 0.00 C ATOM 1113 CD ARG A 70 -4.588 10.425 -11.281 1.00 0.00 C ATOM 1114 NE ARG A 70 -5.007 9.256 -12.105 1.00 0.00 N ATOM 1115 CZ ARG A 70 -4.189 8.256 -12.282 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -3.238 8.342 -13.172 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -4.320 7.170 -11.570 1.00 0.00 N ATOM 0 H ARG A 70 -5.818 9.280 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.358 11.386 -8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.591 9.208 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.083 10.082 -9.013 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.732 10.698 -11.233 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.834 11.988 -10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.151 11.208 -11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.834 10.141 -10.547 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.934 9.238 -12.531 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.135 9.191 -13.728 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.598 7.560 -13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.063 7.103 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.680 6.388 -11.709 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.101 12.127 -6.900 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.955 13.289 -6.509 1.00 0.00 C ATOM 1133 C TYR A 71 -7.172 14.237 -5.597 1.00 0.00 C ATOM 1134 O TYR A 71 -7.417 15.429 -5.572 1.00 0.00 O ATOM 1135 CB TYR A 71 -9.141 12.680 -5.759 1.00 0.00 C ATOM 1136 CG TYR A 71 -10.203 13.734 -5.557 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -10.126 14.606 -4.465 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -11.266 13.838 -6.463 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -11.111 15.584 -4.279 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -12.251 14.816 -6.277 1.00 0.00 C ATOM 1141 CZ TYR A 71 -12.174 15.688 -5.185 1.00 0.00 C ATOM 1142 OH TYR A 71 -13.145 16.652 -5.000 1.00 0.00 O ATOM 0 H TYR A 71 -7.303 11.257 -6.407 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.277 13.872 -7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.549 11.841 -6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.814 12.289 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.307 14.525 -3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.326 13.164 -7.305 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.051 16.258 -3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.070 14.897 -6.976 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.809 16.589 -5.718 1.00 0.00 H new ATOM 1152 N ASP A 72 -6.233 13.715 -4.850 1.00 0.00 N ATOM 1153 CA ASP A 72 -5.427 14.581 -3.934 1.00 0.00 C ATOM 1154 C ASP A 72 -4.519 15.506 -4.750 1.00 0.00 C ATOM 1155 O ASP A 72 -4.216 16.610 -4.340 1.00 0.00 O ATOM 1156 CB ASP A 72 -4.593 13.614 -3.093 1.00 0.00 C ATOM 1157 CG ASP A 72 -4.055 14.343 -1.861 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -3.299 15.284 -2.036 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -4.409 13.947 -0.762 1.00 0.00 O ATOM 0 H ASP A 72 -5.988 12.725 -4.834 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.055 15.217 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.202 12.763 -2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.767 13.220 -3.685 1.00 0.00 H new ATOM 1164 N ARG A 73 -4.085 15.058 -5.901 1.00 0.00 N ATOM 1165 CA ARG A 73 -3.195 15.903 -6.752 1.00 0.00 C ATOM 1166 C ARG A 73 -4.035 16.783 -7.682 1.00 0.00 C ATOM 1167 O ARG A 73 -3.667 17.902 -7.991 1.00 0.00 O ATOM 1168 CB ARG A 73 -2.361 14.910 -7.561 1.00 0.00 C ATOM 1169 CG ARG A 73 -1.233 14.358 -6.689 1.00 0.00 C ATOM 1170 CD ARG A 73 -0.461 13.290 -7.466 1.00 0.00 C ATOM 1171 NE ARG A 73 0.283 12.522 -6.429 1.00 0.00 N ATOM 1172 CZ ARG A 73 1.483 12.895 -6.077 1.00 0.00 C ATOM 1173 NH1 ARG A 73 2.489 12.709 -6.888 1.00 0.00 N ATOM 1174 NH2 ARG A 73 1.678 13.452 -4.914 1.00 0.00 N ATOM 0 H ARG A 73 -4.310 14.141 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.570 16.572 -6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.991 14.095 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.947 15.400 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.561 15.164 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.643 13.931 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.137 12.644 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.220 13.742 -8.187 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.145 11.705 -5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.337 12.272 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.427 13.001 -6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.893 13.596 -4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.616 13.743 -4.639 1.00 0.00 H new ATOM 1188 N GLU A 74 -5.159 16.284 -8.128 1.00 0.00 N ATOM 1189 CA GLU A 74 -6.032 17.084 -9.040 1.00 0.00 C ATOM 1190 C GLU A 74 -6.568 18.319 -8.311 1.00 0.00 C ATOM 1191 O GLU A 74 -6.693 19.384 -8.887 1.00 0.00 O ATOM 1192 CB GLU A 74 -7.179 16.146 -9.418 1.00 0.00 C ATOM 1193 CG GLU A 74 -7.852 16.651 -10.694 1.00 0.00 C ATOM 1194 CD GLU A 74 -6.903 16.470 -11.880 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -6.610 15.333 -12.210 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -6.486 17.472 -12.436 1.00 0.00 O ATOM 0 H GLU A 74 -5.511 15.354 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.493 17.441 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.801 15.135 -9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.905 16.097 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.778 16.104 -10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.118 17.702 -10.585 1.00 0.00 H new ATOM 1203 N MET A 75 -6.887 18.180 -7.049 1.00 0.00 N ATOM 1204 CA MET A 75 -7.419 19.341 -6.274 1.00 0.00 C ATOM 1205 C MET A 75 -6.269 20.117 -5.626 1.00 0.00 C ATOM 1206 O MET A 75 -6.100 21.300 -5.858 1.00 0.00 O ATOM 1207 CB MET A 75 -8.319 18.723 -5.203 1.00 0.00 C ATOM 1208 CG MET A 75 -9.696 18.429 -5.802 1.00 0.00 C ATOM 1209 SD MET A 75 -10.600 19.981 -6.026 1.00 0.00 S ATOM 1210 CE MET A 75 -12.268 19.284 -5.948 1.00 0.00 C ATOM 0 H MET A 75 -6.802 17.311 -6.522 1.00 0.00 H new ATOM 0 HA MET A 75 -7.961 20.045 -6.905 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.872 17.804 -4.823 1.00 0.00 H new ATOM 0 HB3 MET A 75 -8.416 19.404 -4.357 1.00 0.00 H new ATOM 0 HG2 MET A 75 -9.587 17.918 -6.759 1.00 0.00 H new ATOM 0 HG3 MET A 75 -10.255 17.762 -5.146 1.00 0.00 H new ATOM 0 HE1 MET A 75 -12.979 19.992 -6.374 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.300 18.353 -6.514 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.532 19.086 -4.909 1.00 0.00 H new ATOM 1220 N LYS A 76 -5.480 19.458 -4.814 1.00 0.00 N ATOM 1221 CA LYS A 76 -4.339 20.150 -4.145 1.00 0.00 C ATOM 1222 C LYS A 76 -3.064 19.999 -4.979 1.00 0.00 C ATOM 1223 O LYS A 76 -3.083 19.440 -6.059 1.00 0.00 O ATOM 1224 CB LYS A 76 -4.183 19.443 -2.797 1.00 0.00 C ATOM 1225 CG LYS A 76 -5.363 19.804 -1.893 1.00 0.00 C ATOM 1226 CD LYS A 76 -5.246 19.042 -0.572 1.00 0.00 C ATOM 1227 CE LYS A 76 -6.569 19.135 0.192 1.00 0.00 C ATOM 1228 NZ LYS A 76 -6.276 18.573 1.539 1.00 0.00 N ATOM 0 H LYS A 76 -5.578 18.469 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.517 21.219 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.140 18.364 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.246 19.739 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.376 20.878 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.302 19.555 -2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.997 17.998 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.437 19.458 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.913 20.167 0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.355 18.570 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.137 18.603 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.957 17.588 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.529 19.135 1.995 1.00 0.00 H new ATOM 1242 N ASN A 77 -1.959 20.497 -4.484 1.00 0.00 N ATOM 1243 CA ASN A 77 -0.676 20.390 -5.240 1.00 0.00 C ATOM 1244 C ASN A 77 0.109 19.159 -4.777 1.00 0.00 C ATOM 1245 O ASN A 77 -0.021 18.800 -3.619 1.00 0.00 O ATOM 1246 CB ASN A 77 0.088 21.671 -4.907 1.00 0.00 C ATOM 1247 CG ASN A 77 1.217 21.871 -5.920 1.00 0.00 C ATOM 1248 OD1 ASN A 77 0.969 22.043 -7.097 1.00 0.00 O ATOM 1249 ND2 ASN A 77 2.456 21.857 -5.511 1.00 0.00 N ATOM 1250 OXT ASN A 77 0.827 18.599 -5.590 1.00 0.00 O ATOM 0 H ASN A 77 -1.891 20.975 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.836 20.279 -6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.588 22.526 -4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.497 21.611 -3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.215 21.990 -6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.665 21.713 -4.523 1.00 0.00 H new TER 1257 ASN A 77