USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 32 GLN : amide:sc= 0.622 K(o=1.3,f=0.15) USER MOD Set 1.2: A 34 TYR OH : rot 54:sc= 0.704 USER MOD Set 2.1: A 18 ASN : amide:sc= -2.42! K(o=-3.3!,f=-5.4) USER MOD Set 2.2: A 20 MET CE :methyl 153:sc= -0.909 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.105 (180deg=-0.505) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.302 (180deg=-0.33) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 135:sc= 1.24 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -156:sc= -0.218 (180deg=-0.85) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.1!) USER MOD Single : A 22 THR OG1 : rot -159:sc= 0.82 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -118:sc= -0.345 (180deg=-1.04) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.11) USER MOD Single : A 49 SER OG : rot 177:sc= 0.00276 USER MOD Single : A 51 SER OG : rot -56:sc= 0.274 USER MOD Single : A 53 MET CE :methyl -135:sc= -0.275 (180deg=-1.97) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -110:sc= 0.005 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.234 5.749 -12.792 1.00 0.00 N ATOM 2 CA MET A 1 -13.793 6.307 -14.023 1.00 0.00 C ATOM 3 C MET A 1 -13.107 7.625 -14.360 1.00 0.00 C ATOM 4 O MET A 1 -13.494 8.328 -15.296 1.00 0.00 O ATOM 5 CB MET A 1 -15.304 6.523 -13.889 1.00 0.00 C ATOM 6 CG MET A 1 -16.098 5.232 -13.761 1.00 0.00 C ATOM 7 SD MET A 1 -17.880 5.506 -13.649 1.00 0.00 S ATOM 8 CE MET A 1 -17.993 6.448 -12.127 1.00 0.00 C ATOM 0 H1 MET A 1 -13.697 4.842 -12.580 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.212 5.596 -12.913 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.395 6.411 -12.006 1.00 0.00 H new ATOM 0 HA MET A 1 -13.618 5.595 -14.830 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.497 7.146 -13.015 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.662 7.074 -14.759 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.887 4.596 -14.621 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.763 4.692 -12.875 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.021 6.433 -11.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.338 6.006 -11.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.688 7.478 -12.313 1.00 0.00 H new ATOM 18 N SER A 2 -12.080 7.943 -13.589 1.00 0.00 N ATOM 19 CA SER A 2 -11.338 9.176 -13.759 1.00 0.00 C ATOM 20 C SER A 2 -9.878 8.876 -14.094 1.00 0.00 C ATOM 21 O SER A 2 -9.392 7.770 -13.853 1.00 0.00 O ATOM 22 CB SER A 2 -11.449 10.011 -12.484 1.00 0.00 C ATOM 23 OG SER A 2 -11.327 9.193 -11.330 1.00 0.00 O ATOM 0 H SER A 2 -11.740 7.353 -12.830 1.00 0.00 H new ATOM 0 HA SER A 2 -11.758 9.744 -14.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.672 10.775 -12.476 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.407 10.530 -12.467 1.00 0.00 H new ATOM 0 HG SER A 2 -11.399 9.749 -10.526 1.00 0.00 H new ATOM 29 N THR A 3 -9.197 9.855 -14.666 1.00 0.00 N ATOM 30 CA THR A 3 -7.804 9.696 -15.037 1.00 0.00 C ATOM 31 C THR A 3 -6.887 10.017 -13.862 1.00 0.00 C ATOM 32 O THR A 3 -7.037 11.047 -13.201 1.00 0.00 O ATOM 33 CB THR A 3 -7.456 10.589 -16.238 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.917 11.928 -16.013 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.082 10.039 -17.508 1.00 0.00 C ATOM 0 H THR A 3 -9.590 10.771 -14.883 1.00 0.00 H new ATOM 0 HA THR A 3 -7.651 8.655 -15.320 1.00 0.00 H new ATOM 0 HB THR A 3 -6.372 10.600 -16.354 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.217 12.563 -16.272 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.825 10.684 -18.349 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.705 9.033 -17.694 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.166 10.005 -17.394 1.00 0.00 H new ATOM 43 N TYR A 4 -5.946 9.121 -13.597 1.00 0.00 N ATOM 44 CA TYR A 4 -5.053 9.268 -12.455 1.00 0.00 C ATOM 45 C TYR A 4 -3.770 10.006 -12.840 1.00 0.00 C ATOM 46 O TYR A 4 -3.166 10.680 -12.009 1.00 0.00 O ATOM 47 CB TYR A 4 -4.713 7.888 -11.879 1.00 0.00 C ATOM 48 CG TYR A 4 -3.929 7.931 -10.579 1.00 0.00 C ATOM 49 CD1 TYR A 4 -4.583 7.997 -9.354 1.00 0.00 C ATOM 50 CD2 TYR A 4 -2.539 7.901 -10.578 1.00 0.00 C ATOM 51 CE1 TYR A 4 -3.874 8.032 -8.167 1.00 0.00 C ATOM 52 CE2 TYR A 4 -1.824 7.938 -9.395 1.00 0.00 C ATOM 53 CZ TYR A 4 -2.495 8.002 -8.192 1.00 0.00 C ATOM 54 OH TYR A 4 -1.785 8.039 -7.011 1.00 0.00 O ATOM 0 H TYR A 4 -5.781 8.285 -14.157 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.566 9.862 -11.699 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.639 7.338 -11.713 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.138 7.330 -12.618 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.662 8.021 -9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.009 7.848 -11.517 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.398 8.083 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -0.744 7.917 -9.413 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.825 8.009 -7.205 1.00 0.00 H new ATOM 64 N ASP A 5 -3.366 9.893 -14.102 1.00 0.00 N ATOM 65 CA ASP A 5 -2.062 10.408 -14.523 1.00 0.00 C ATOM 66 C ASP A 5 -2.171 11.163 -15.848 1.00 0.00 C ATOM 67 O ASP A 5 -3.223 11.159 -16.487 1.00 0.00 O ATOM 68 CB ASP A 5 -1.079 9.238 -14.666 1.00 0.00 C ATOM 69 CG ASP A 5 0.382 9.649 -14.550 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.672 10.863 -14.469 1.00 0.00 O ATOM 71 OD2 ASP A 5 1.253 8.752 -14.527 1.00 0.00 O ATOM 0 H ASP A 5 -3.913 9.456 -14.844 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.700 11.105 -13.767 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.300 8.494 -13.901 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.237 8.758 -15.632 1.00 0.00 H new ATOM 76 N GLU A 6 -1.083 11.816 -16.234 1.00 0.00 N ATOM 77 CA GLU A 6 -0.969 12.487 -17.525 1.00 0.00 C ATOM 78 C GLU A 6 0.496 12.475 -17.950 1.00 0.00 C ATOM 79 O GLU A 6 1.328 13.148 -17.340 1.00 0.00 O ATOM 80 CB GLU A 6 -1.487 13.934 -17.458 1.00 0.00 C ATOM 81 CG GLU A 6 -1.376 14.677 -18.788 1.00 0.00 C ATOM 82 CD GLU A 6 -1.912 16.097 -18.736 1.00 0.00 C ATOM 83 OE1 GLU A 6 -3.129 16.287 -18.957 1.00 0.00 O ATOM 84 OE2 GLU A 6 -1.119 17.034 -18.497 1.00 0.00 O ATOM 0 H GLU A 6 -0.247 11.896 -15.656 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.581 11.956 -18.254 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.530 13.925 -17.141 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.927 14.478 -16.698 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.330 14.703 -19.094 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.918 14.120 -19.552 1.00 0.00 H new ATOM 91 N ILE A 7 0.814 11.693 -18.974 1.00 0.00 N ATOM 92 CA ILE A 7 2.204 11.528 -19.396 1.00 0.00 C ATOM 93 C ILE A 7 2.417 12.143 -20.776 1.00 0.00 C ATOM 94 O ILE A 7 1.462 12.323 -21.533 1.00 0.00 O ATOM 95 CB ILE A 7 2.639 10.038 -19.440 1.00 0.00 C ATOM 96 CG1 ILE A 7 2.065 9.243 -18.264 1.00 0.00 C ATOM 97 CG2 ILE A 7 4.155 9.926 -19.433 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.709 8.636 -18.553 1.00 0.00 C ATOM 0 H ILE A 7 0.137 11.166 -19.525 1.00 0.00 H new ATOM 0 HA ILE A 7 2.816 12.039 -18.653 1.00 0.00 H new ATOM 0 HB ILE A 7 2.244 9.615 -20.364 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.762 8.448 -17.998 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.984 9.899 -17.397 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.442 8.875 -19.464 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.562 10.439 -20.304 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.549 10.383 -18.526 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.362 8.087 -17.678 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.001 9.428 -18.790 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.788 7.955 -19.400 1.00 0.00 H new ATOM 110 N GLU A 8 3.666 12.471 -21.091 1.00 0.00 N ATOM 111 CA GLU A 8 4.018 13.011 -22.399 1.00 0.00 C ATOM 112 C GLU A 8 3.701 12.014 -23.512 1.00 0.00 C ATOM 113 O GLU A 8 3.746 10.799 -23.311 1.00 0.00 O ATOM 114 CB GLU A 8 5.504 13.367 -22.443 1.00 0.00 C ATOM 115 CG GLU A 8 5.885 14.543 -21.556 1.00 0.00 C ATOM 116 CD GLU A 8 5.324 15.861 -22.051 1.00 0.00 C ATOM 117 OE1 GLU A 8 5.728 16.307 -23.146 1.00 0.00 O ATOM 118 OE2 GLU A 8 4.504 16.469 -21.338 1.00 0.00 O ATOM 0 H GLU A 8 4.456 12.371 -20.453 1.00 0.00 H new ATOM 0 HA GLU A 8 3.423 13.910 -22.558 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.085 12.495 -22.142 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.782 13.596 -23.472 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.527 14.359 -20.543 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.971 14.614 -21.502 1.00 0.00 H new ATOM 125 N ILE A 9 3.396 12.544 -24.692 1.00 0.00 N ATOM 126 CA ILE A 9 3.071 11.724 -25.853 1.00 0.00 C ATOM 127 C ILE A 9 4.257 10.842 -26.259 1.00 0.00 C ATOM 128 O ILE A 9 4.079 9.753 -26.799 1.00 0.00 O ATOM 129 CB ILE A 9 2.626 12.606 -27.045 1.00 0.00 C ATOM 130 CG1 ILE A 9 2.125 11.742 -28.200 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.759 13.515 -27.506 1.00 0.00 C ATOM 132 CD1 ILE A 9 1.449 12.534 -29.303 1.00 0.00 C ATOM 0 H ILE A 9 3.367 13.548 -24.870 1.00 0.00 H new ATOM 0 HA ILE A 9 2.242 11.073 -25.574 1.00 0.00 H new ATOM 0 HB ILE A 9 1.804 13.237 -26.707 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.966 11.192 -28.622 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.423 11.003 -27.812 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.419 14.123 -28.344 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.061 14.165 -26.685 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.608 12.908 -27.819 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.119 11.855 -30.089 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.587 13.063 -28.896 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.154 13.254 -29.718 1.00 0.00 H new ATOM 144 N GLU A 10 5.463 11.322 -25.972 1.00 0.00 N ATOM 145 CA GLU A 10 6.697 10.619 -26.322 1.00 0.00 C ATOM 146 C GLU A 10 6.797 9.276 -25.601 1.00 0.00 C ATOM 147 O GLU A 10 7.412 8.336 -26.100 1.00 0.00 O ATOM 148 CB GLU A 10 7.898 11.475 -25.932 1.00 0.00 C ATOM 149 CG GLU A 10 7.809 12.912 -26.403 1.00 0.00 C ATOM 150 CD GLU A 10 8.896 13.767 -25.798 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.842 14.020 -24.577 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.818 14.174 -26.534 1.00 0.00 O ATOM 0 H GLU A 10 5.615 12.208 -25.491 1.00 0.00 H new ATOM 0 HA GLU A 10 6.687 10.438 -27.397 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.002 11.465 -24.847 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.801 11.024 -26.343 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.884 12.944 -27.490 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.834 13.322 -26.138 1.00 0.00 H new ATOM 159 N ASP A 11 6.206 9.205 -24.416 1.00 0.00 N ATOM 160 CA ASP A 11 6.309 8.024 -23.573 1.00 0.00 C ATOM 161 C ASP A 11 5.360 6.930 -24.038 1.00 0.00 C ATOM 162 O ASP A 11 5.667 5.739 -23.938 1.00 0.00 O ATOM 163 CB ASP A 11 6.025 8.400 -22.123 1.00 0.00 C ATOM 164 CG ASP A 11 7.113 9.278 -21.541 1.00 0.00 C ATOM 165 OD1 ASP A 11 7.119 10.495 -21.821 1.00 0.00 O ATOM 166 OD2 ASP A 11 7.981 8.751 -20.815 1.00 0.00 O ATOM 0 H ASP A 11 5.647 9.958 -24.015 1.00 0.00 H new ATOM 0 HA ASP A 11 7.324 7.633 -23.649 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.069 8.920 -22.064 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.932 7.493 -21.525 1.00 0.00 H new ATOM 171 N MET A 12 4.204 7.338 -24.536 1.00 0.00 N ATOM 172 CA MET A 12 3.265 6.405 -25.140 1.00 0.00 C ATOM 173 C MET A 12 3.909 5.750 -26.356 1.00 0.00 C ATOM 174 O MET A 12 4.274 6.431 -27.314 1.00 0.00 O ATOM 175 CB MET A 12 1.978 7.129 -25.554 1.00 0.00 C ATOM 176 CG MET A 12 1.159 7.654 -24.386 1.00 0.00 C ATOM 177 SD MET A 12 0.407 6.336 -23.415 1.00 0.00 S ATOM 178 CE MET A 12 -0.691 5.604 -24.631 1.00 0.00 C ATOM 0 H MET A 12 3.893 8.309 -24.534 1.00 0.00 H new ATOM 0 HA MET A 12 3.009 5.639 -24.408 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.237 7.963 -26.207 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.361 6.446 -26.139 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.799 8.255 -23.740 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.377 8.313 -24.763 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.507 5.091 -24.122 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.098 6.386 -25.271 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.136 4.890 -25.239 1.00 0.00 H new ATOM 188 N THR A 13 4.064 4.436 -26.312 1.00 0.00 N ATOM 189 CA THR A 13 4.719 3.718 -27.389 1.00 0.00 C ATOM 190 C THR A 13 3.826 3.681 -28.625 1.00 0.00 C ATOM 191 O THR A 13 2.801 2.990 -28.659 1.00 0.00 O ATOM 192 CB THR A 13 5.087 2.290 -26.961 1.00 0.00 C ATOM 193 OG1 THR A 13 5.831 2.336 -25.731 1.00 0.00 O ATOM 194 CG2 THR A 13 5.912 1.591 -28.035 1.00 0.00 C ATOM 0 H THR A 13 3.745 3.848 -25.542 1.00 0.00 H new ATOM 0 HA THR A 13 5.640 4.248 -27.632 1.00 0.00 H new ATOM 0 HB THR A 13 4.167 1.724 -26.817 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.065 1.425 -25.456 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.158 0.582 -27.705 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.337 1.540 -28.960 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.831 2.150 -28.209 1.00 0.00 H new ATOM 202 N PHE A 14 4.214 4.447 -29.628 1.00 0.00 N ATOM 203 CA PHE A 14 3.439 4.569 -30.847 1.00 0.00 C ATOM 204 C PHE A 14 3.571 3.325 -31.708 1.00 0.00 C ATOM 205 O PHE A 14 4.654 2.758 -31.844 1.00 0.00 O ATOM 206 CB PHE A 14 3.868 5.816 -31.637 1.00 0.00 C ATOM 207 CG PHE A 14 5.339 5.883 -31.949 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.231 6.419 -31.033 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.825 5.417 -33.160 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.580 6.488 -31.319 1.00 0.00 C ATOM 211 CE2 PHE A 14 7.172 5.483 -33.452 1.00 0.00 C ATOM 212 CZ PHE A 14 8.052 6.018 -32.530 1.00 0.00 C ATOM 0 H PHE A 14 5.071 4.999 -29.620 1.00 0.00 H new ATOM 0 HA PHE A 14 2.391 4.676 -30.568 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.309 5.848 -32.572 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.589 6.704 -31.069 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.867 6.787 -30.085 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.142 4.997 -33.884 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.265 6.908 -30.598 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.538 5.117 -34.400 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.107 6.069 -32.756 1.00 0.00 H new ATOM 222 N GLU A 15 2.455 2.892 -32.260 1.00 0.00 N ATOM 223 CA GLU A 15 2.444 1.776 -33.177 1.00 0.00 C ATOM 224 C GLU A 15 2.023 2.241 -34.563 1.00 0.00 C ATOM 225 O GLU A 15 0.835 2.454 -34.820 1.00 0.00 O ATOM 226 CB GLU A 15 1.526 0.658 -32.677 1.00 0.00 C ATOM 227 CG GLU A 15 2.150 -0.190 -31.581 1.00 0.00 C ATOM 228 CD GLU A 15 1.347 -1.440 -31.291 1.00 0.00 C ATOM 229 OE1 GLU A 15 1.571 -2.464 -31.968 1.00 0.00 O ATOM 230 OE2 GLU A 15 0.487 -1.402 -30.382 1.00 0.00 O ATOM 0 H GLU A 15 1.538 3.302 -32.086 1.00 0.00 H new ATOM 0 HA GLU A 15 3.454 1.372 -33.236 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.601 1.097 -32.304 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.258 0.015 -33.516 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.161 -0.471 -31.874 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.235 0.403 -30.671 1.00 0.00 H new ATOM 237 N PRO A 16 3.000 2.407 -35.475 1.00 0.00 N ATOM 238 CA PRO A 16 2.750 2.899 -36.839 1.00 0.00 C ATOM 239 C PRO A 16 1.933 1.917 -37.671 1.00 0.00 C ATOM 240 O PRO A 16 1.505 2.233 -38.778 1.00 0.00 O ATOM 241 CB PRO A 16 4.156 3.064 -37.429 1.00 0.00 C ATOM 242 CG PRO A 16 5.012 2.139 -36.634 1.00 0.00 C ATOM 243 CD PRO A 16 4.431 2.127 -35.248 1.00 0.00 C ATOM 0 HA PRO A 16 2.167 3.820 -36.835 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.173 2.807 -38.488 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.502 4.094 -37.345 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.012 1.138 -37.066 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.047 2.480 -36.620 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.579 1.165 -34.758 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.892 2.883 -34.612 1.00 0.00 H new ATOM 251 N GLU A 17 1.735 0.720 -37.136 1.00 0.00 N ATOM 252 CA GLU A 17 0.897 -0.277 -37.784 1.00 0.00 C ATOM 253 C GLU A 17 -0.530 -0.178 -37.255 1.00 0.00 C ATOM 254 O GLU A 17 -1.497 -0.298 -38.007 1.00 0.00 O ATOM 255 CB GLU A 17 1.445 -1.680 -37.526 1.00 0.00 C ATOM 256 CG GLU A 17 2.933 -1.815 -37.807 1.00 0.00 C ATOM 257 CD GLU A 17 3.465 -3.193 -37.477 1.00 0.00 C ATOM 258 OE1 GLU A 17 3.302 -3.638 -36.319 1.00 0.00 O ATOM 259 OE2 GLU A 17 4.042 -3.841 -38.377 1.00 0.00 O ATOM 0 H GLU A 17 2.145 0.416 -36.253 1.00 0.00 H new ATOM 0 HA GLU A 17 0.898 -0.090 -38.858 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.254 -1.950 -36.487 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.901 -2.393 -38.146 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.121 -1.599 -38.859 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.478 -1.071 -37.226 1.00 0.00 H new ATOM 266 N ASN A 18 -0.644 0.075 -35.956 1.00 0.00 N ATOM 267 CA ASN A 18 -1.938 0.110 -35.276 1.00 0.00 C ATOM 268 C ASN A 18 -2.530 1.523 -35.323 1.00 0.00 C ATOM 269 O ASN A 18 -3.654 1.759 -34.885 1.00 0.00 O ATOM 270 CB ASN A 18 -1.761 -0.367 -33.828 1.00 0.00 C ATOM 271 CG ASN A 18 -3.048 -0.832 -33.175 1.00 0.00 C ATOM 272 OD1 ASN A 18 -3.171 -0.802 -31.954 1.00 0.00 O ATOM 273 ND2 ASN A 18 -3.996 -1.291 -33.971 1.00 0.00 N ATOM 0 H ASN A 18 0.152 0.261 -35.346 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.635 -0.556 -35.784 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.040 -1.184 -33.810 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.338 0.445 -33.237 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.870 -1.638 -33.576 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.854 -1.299 -34.981 1.00 0.00 H new ATOM 280 N GLN A 19 -1.727 2.450 -35.845 1.00 0.00 N ATOM 281 CA GLN A 19 -2.147 3.828 -36.148 1.00 0.00 C ATOM 282 C GLN A 19 -2.319 4.678 -34.893 1.00 0.00 C ATOM 283 O GLN A 19 -2.940 5.739 -34.953 1.00 0.00 O ATOM 284 CB GLN A 19 -3.463 3.877 -36.945 1.00 0.00 C ATOM 285 CG GLN A 19 -3.440 3.173 -38.300 1.00 0.00 C ATOM 286 CD GLN A 19 -2.241 3.531 -39.144 1.00 0.00 C ATOM 287 OE1 GLN A 19 -2.264 4.509 -39.886 1.00 0.00 O ATOM 288 NE2 GLN A 19 -1.208 2.712 -39.076 1.00 0.00 N ATOM 0 H GLN A 19 -0.750 2.267 -36.075 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.339 4.239 -36.753 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.251 3.432 -36.338 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.733 4.921 -37.103 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.453 2.095 -38.141 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.348 3.426 -38.847 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.233 1.911 -38.445 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.385 2.880 -39.655 1.00 0.00 H new ATOM 297 N MET A 20 -1.749 4.262 -33.769 1.00 0.00 N ATOM 298 CA MET A 20 -2.013 4.970 -32.519 1.00 0.00 C ATOM 299 C MET A 20 -0.972 4.659 -31.455 1.00 0.00 C ATOM 300 O MET A 20 -0.087 3.825 -31.659 1.00 0.00 O ATOM 301 CB MET A 20 -3.408 4.620 -31.999 1.00 0.00 C ATOM 302 CG MET A 20 -3.561 3.164 -31.605 1.00 0.00 C ATOM 303 SD MET A 20 -5.202 2.776 -30.980 1.00 0.00 S ATOM 304 CE MET A 20 -4.972 1.045 -30.615 1.00 0.00 C ATOM 0 H MET A 20 -1.119 3.463 -33.694 1.00 0.00 H new ATOM 0 HA MET A 20 -1.959 6.037 -32.733 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.633 5.247 -31.136 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.144 4.859 -32.767 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.349 2.535 -32.469 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.821 2.919 -30.843 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.653 0.748 -29.817 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.179 0.454 -31.507 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.944 0.874 -30.297 1.00 0.00 H new ATOM 314 N PHE A 21 -1.098 5.336 -30.321 1.00 0.00 N ATOM 315 CA PHE A 21 -0.151 5.198 -29.227 1.00 0.00 C ATOM 316 C PHE A 21 -0.665 4.190 -28.215 1.00 0.00 C ATOM 317 O PHE A 21 -1.822 4.254 -27.794 1.00 0.00 O ATOM 318 CB PHE A 21 0.073 6.549 -28.541 1.00 0.00 C ATOM 319 CG PHE A 21 0.797 7.557 -29.393 1.00 0.00 C ATOM 320 CD1 PHE A 21 0.111 8.341 -30.304 1.00 0.00 C ATOM 321 CD2 PHE A 21 2.166 7.723 -29.272 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.777 9.269 -31.083 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.838 8.649 -30.048 1.00 0.00 C ATOM 324 CZ PHE A 21 2.143 9.423 -30.955 1.00 0.00 C ATOM 0 H PHE A 21 -1.856 5.993 -30.136 1.00 0.00 H new ATOM 0 HA PHE A 21 0.797 4.846 -29.634 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.893 6.962 -28.250 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.640 6.389 -27.624 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.958 8.227 -30.408 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.716 7.122 -28.563 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.229 9.873 -31.791 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.907 8.767 -29.944 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.666 10.147 -31.563 1.00 0.00 H new ATOM 334 N THR A 22 0.191 3.258 -27.835 1.00 0.00 N ATOM 335 CA THR A 22 -0.170 2.245 -26.862 1.00 0.00 C ATOM 336 C THR A 22 0.870 2.166 -25.748 1.00 0.00 C ATOM 337 O THR A 22 2.072 2.230 -25.999 1.00 0.00 O ATOM 338 CB THR A 22 -0.325 0.867 -27.530 1.00 0.00 C ATOM 339 OG1 THR A 22 0.821 0.585 -28.345 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.582 0.819 -28.386 1.00 0.00 C ATOM 0 H THR A 22 1.145 3.183 -28.188 1.00 0.00 H new ATOM 0 HA THR A 22 -1.128 2.532 -26.429 1.00 0.00 H new ATOM 0 HB THR A 22 -0.408 0.115 -26.745 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.589 -0.094 -29.012 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.670 -0.164 -28.848 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.455 1.006 -27.761 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.522 1.581 -29.163 1.00 0.00 H new ATOM 348 N TYR A 23 0.403 2.041 -24.518 1.00 0.00 N ATOM 349 CA TYR A 23 1.290 1.949 -23.375 1.00 0.00 C ATOM 350 C TYR A 23 1.245 0.536 -22.807 1.00 0.00 C ATOM 351 O TYR A 23 0.175 0.025 -22.479 1.00 0.00 O ATOM 352 CB TYR A 23 0.891 2.974 -22.305 1.00 0.00 C ATOM 353 CG TYR A 23 1.923 3.162 -21.215 1.00 0.00 C ATOM 354 CD1 TYR A 23 1.947 2.335 -20.098 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.874 4.173 -21.300 1.00 0.00 C ATOM 356 CE1 TYR A 23 2.886 2.510 -19.099 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.817 4.353 -20.306 1.00 0.00 C ATOM 358 CZ TYR A 23 3.819 3.518 -19.209 1.00 0.00 C ATOM 359 OH TYR A 23 4.753 3.697 -18.212 1.00 0.00 O ATOM 0 H TYR A 23 -0.590 2.001 -24.286 1.00 0.00 H new ATOM 0 HA TYR A 23 2.309 2.171 -23.693 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.708 3.934 -22.787 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.049 2.662 -21.850 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.219 1.542 -20.009 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.876 4.829 -22.158 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.888 1.860 -18.237 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.548 5.143 -20.388 1.00 0.00 H new ATOM 0 HH TYR A 23 5.338 4.449 -18.443 1.00 0.00 H new ATOM 369 N PRO A 24 2.409 -0.121 -22.738 1.00 0.00 N ATOM 370 CA PRO A 24 2.536 -1.478 -22.191 1.00 0.00 C ATOM 371 C PRO A 24 1.943 -1.620 -20.790 1.00 0.00 C ATOM 372 O PRO A 24 2.353 -0.932 -19.851 1.00 0.00 O ATOM 373 CB PRO A 24 4.047 -1.713 -22.147 1.00 0.00 C ATOM 374 CG PRO A 24 4.623 -0.773 -23.150 1.00 0.00 C ATOM 375 CD PRO A 24 3.696 0.409 -23.213 1.00 0.00 C ATOM 0 HA PRO A 24 1.990 -2.198 -22.801 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.446 -1.518 -21.152 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.291 -2.747 -22.392 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.627 -0.463 -22.859 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.708 -1.252 -24.126 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.048 1.226 -22.583 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.616 0.800 -24.227 1.00 0.00 H new ATOM 383 N CYS A 25 0.982 -2.521 -20.670 1.00 0.00 N ATOM 384 CA CYS A 25 0.338 -2.822 -19.403 1.00 0.00 C ATOM 385 C CYS A 25 0.149 -4.326 -19.280 1.00 0.00 C ATOM 386 O CYS A 25 -0.113 -5.002 -20.276 1.00 0.00 O ATOM 387 CB CYS A 25 -1.015 -2.107 -19.322 1.00 0.00 C ATOM 388 SG CYS A 25 -2.033 -2.551 -17.875 1.00 0.00 S ATOM 0 H CYS A 25 0.625 -3.067 -21.454 1.00 0.00 H new ATOM 0 HA CYS A 25 0.964 -2.472 -18.583 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.841 -1.031 -19.309 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.581 -2.327 -20.227 1.00 0.00 H new ATOM 393 N PRO A 26 0.343 -4.891 -18.082 1.00 0.00 N ATOM 394 CA PRO A 26 0.053 -6.283 -17.833 1.00 0.00 C ATOM 395 C PRO A 26 -1.345 -6.481 -17.250 1.00 0.00 C ATOM 396 O PRO A 26 -1.636 -6.035 -16.138 1.00 0.00 O ATOM 397 CB PRO A 26 1.127 -6.666 -16.813 1.00 0.00 C ATOM 398 CG PRO A 26 1.538 -5.382 -16.141 1.00 0.00 C ATOM 399 CD PRO A 26 0.884 -4.240 -16.887 1.00 0.00 C ATOM 0 HA PRO A 26 0.066 -6.888 -18.740 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.738 -7.380 -16.086 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.978 -7.140 -17.302 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.229 -5.382 -15.096 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.623 -5.275 -16.153 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.100 -3.768 -16.295 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.603 -3.461 -17.142 1.00 0.00 H new ATOM 407 N CYS A 27 -2.178 -7.205 -17.985 1.00 0.00 N ATOM 408 CA CYS A 27 -3.557 -7.458 -17.582 1.00 0.00 C ATOM 409 C CYS A 27 -4.241 -8.322 -18.634 1.00 0.00 C ATOM 410 O CYS A 27 -4.928 -9.295 -18.317 1.00 0.00 O ATOM 411 CB CYS A 27 -4.331 -6.138 -17.415 1.00 0.00 C ATOM 412 SG CYS A 27 -4.554 -5.201 -18.967 1.00 0.00 S ATOM 0 H CYS A 27 -1.920 -7.633 -18.874 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.550 -7.976 -16.623 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.311 -6.356 -16.991 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.805 -5.510 -16.696 1.00 0.00 H new ATOM 417 N GLY A 28 -4.025 -7.956 -19.889 1.00 0.00 N ATOM 418 CA GLY A 28 -4.637 -8.639 -21.006 1.00 0.00 C ATOM 419 C GLY A 28 -4.599 -7.784 -22.257 1.00 0.00 C ATOM 420 O GLY A 28 -4.631 -8.299 -23.376 1.00 0.00 O ATOM 0 H GLY A 28 -3.421 -7.178 -20.155 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.118 -9.580 -21.189 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.670 -8.887 -20.763 1.00 0.00 H new ATOM 424 N ASP A 29 -4.522 -6.473 -22.065 1.00 0.00 N ATOM 425 CA ASP A 29 -4.461 -5.530 -23.176 1.00 0.00 C ATOM 426 C ASP A 29 -3.508 -4.391 -22.832 1.00 0.00 C ATOM 427 O ASP A 29 -2.919 -4.383 -21.756 1.00 0.00 O ATOM 428 CB ASP A 29 -5.849 -4.988 -23.516 1.00 0.00 C ATOM 429 CG ASP A 29 -5.951 -4.519 -24.960 1.00 0.00 C ATOM 430 OD1 ASP A 29 -5.574 -3.365 -25.258 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.404 -5.313 -25.809 1.00 0.00 O ATOM 0 H ASP A 29 -4.500 -6.036 -21.144 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.087 -6.054 -24.056 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.593 -5.764 -23.335 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.085 -4.158 -22.850 1.00 0.00 H new ATOM 436 N ARG A 30 -3.302 -3.484 -23.774 1.00 0.00 N ATOM 437 CA ARG A 30 -2.406 -2.354 -23.568 1.00 0.00 C ATOM 438 C ARG A 30 -3.182 -1.034 -23.565 1.00 0.00 C ATOM 439 O ARG A 30 -4.225 -0.925 -24.214 1.00 0.00 O ATOM 440 CB ARG A 30 -1.310 -2.334 -24.648 1.00 0.00 C ATOM 441 CG ARG A 30 -1.731 -2.873 -26.019 1.00 0.00 C ATOM 442 CD ARG A 30 -2.888 -2.096 -26.637 1.00 0.00 C ATOM 443 NE ARG A 30 -3.080 -2.414 -28.055 1.00 0.00 N ATOM 444 CZ ARG A 30 -4.262 -2.696 -28.611 1.00 0.00 C ATOM 445 NH1 ARG A 30 -5.335 -2.881 -27.851 1.00 0.00 N ATOM 446 NH2 ARG A 30 -4.356 -2.840 -29.926 1.00 0.00 N ATOM 0 H ARG A 30 -3.745 -3.508 -24.693 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.931 -2.469 -22.593 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.963 -1.308 -24.770 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.461 -2.918 -24.292 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.876 -2.839 -26.694 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.017 -3.920 -25.919 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.804 -2.318 -26.090 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.703 -1.027 -26.529 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.257 -2.420 -28.657 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.260 -2.808 -26.836 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.234 -3.096 -28.282 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.527 -2.736 -30.511 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.257 -3.055 -30.352 1.00 0.00 H new ATOM 460 N PHE A 31 -2.677 -0.035 -22.838 1.00 0.00 N ATOM 461 CA PHE A 31 -3.279 1.299 -22.848 1.00 0.00 C ATOM 462 C PHE A 31 -3.380 1.815 -24.275 1.00 0.00 C ATOM 463 O PHE A 31 -2.367 2.045 -24.934 1.00 0.00 O ATOM 464 CB PHE A 31 -2.459 2.288 -22.016 1.00 0.00 C ATOM 465 CG PHE A 31 -2.561 2.092 -20.534 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.598 2.667 -19.819 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.611 1.350 -19.851 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.687 2.503 -18.451 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.698 1.179 -18.484 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.737 1.757 -17.782 1.00 0.00 C ATOM 0 H PHE A 31 -1.857 -0.124 -22.238 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.274 1.215 -22.410 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.412 2.208 -22.309 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.781 3.301 -22.258 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.345 3.250 -20.337 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.793 0.900 -20.394 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.500 2.958 -17.904 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.954 0.594 -17.964 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.806 1.626 -16.712 1.00 0.00 H new ATOM 480 N GLN A 32 -4.596 1.990 -24.748 1.00 0.00 N ATOM 481 CA GLN A 32 -4.823 2.370 -26.128 1.00 0.00 C ATOM 482 C GLN A 32 -5.505 3.725 -26.214 1.00 0.00 C ATOM 483 O GLN A 32 -6.417 4.028 -25.439 1.00 0.00 O ATOM 484 CB GLN A 32 -5.667 1.300 -26.830 1.00 0.00 C ATOM 485 CG GLN A 32 -7.005 1.034 -26.156 1.00 0.00 C ATOM 486 CD GLN A 32 -7.817 -0.027 -26.864 1.00 0.00 C ATOM 487 OE1 GLN A 32 -8.627 0.275 -27.741 1.00 0.00 O ATOM 488 NE2 GLN A 32 -7.599 -1.279 -26.499 1.00 0.00 N ATOM 0 H GLN A 32 -5.446 1.875 -24.196 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.858 2.448 -26.629 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.845 1.609 -27.860 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.099 0.370 -26.869 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.832 0.725 -25.125 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.579 1.960 -26.119 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.919 -1.486 -25.768 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.111 -2.038 -26.949 1.00 0.00 H new ATOM 497 N ILE A 33 -5.034 4.546 -27.135 1.00 0.00 N ATOM 498 CA ILE A 33 -5.673 5.814 -27.419 1.00 0.00 C ATOM 499 C ILE A 33 -5.680 6.064 -28.922 1.00 0.00 C ATOM 500 O ILE A 33 -4.653 5.952 -29.587 1.00 0.00 O ATOM 501 CB ILE A 33 -5.003 6.990 -26.677 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.732 8.295 -27.003 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.524 7.090 -27.026 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.225 9.481 -26.221 1.00 0.00 C ATOM 0 H ILE A 33 -4.207 4.354 -27.700 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.699 5.755 -27.054 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.073 6.808 -25.605 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.630 8.502 -28.068 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.796 8.167 -26.804 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.079 7.927 -26.488 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.020 6.167 -26.741 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.413 7.248 -28.099 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.788 10.371 -26.504 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.352 9.295 -25.155 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.168 9.636 -26.439 1.00 0.00 H new ATOM 516 N TYR A 34 -6.847 6.386 -29.445 1.00 0.00 N ATOM 517 CA TYR A 34 -7.033 6.520 -30.879 1.00 0.00 C ATOM 518 C TYR A 34 -6.514 7.869 -31.351 1.00 0.00 C ATOM 519 O TYR A 34 -6.764 8.892 -30.718 1.00 0.00 O ATOM 520 CB TYR A 34 -8.517 6.353 -31.221 1.00 0.00 C ATOM 521 CG TYR A 34 -9.160 5.206 -30.467 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.988 3.888 -30.880 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.919 5.440 -29.325 1.00 0.00 C ATOM 524 CE1 TYR A 34 -9.551 2.839 -30.174 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.489 4.397 -28.619 1.00 0.00 C ATOM 526 CZ TYR A 34 -10.302 3.099 -29.046 1.00 0.00 C ATOM 527 OH TYR A 34 -10.859 2.056 -28.335 1.00 0.00 O ATOM 0 H TYR A 34 -7.687 6.561 -28.894 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.467 5.743 -31.393 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.046 7.278 -30.990 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.623 6.184 -32.293 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.406 3.680 -31.766 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.066 6.454 -28.984 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.403 1.822 -30.505 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.078 4.598 -27.737 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.160 1.411 -28.100 1.00 0.00 H new ATOM 537 N LEU A 35 -5.789 7.868 -32.461 1.00 0.00 N ATOM 538 CA LEU A 35 -5.179 9.086 -32.974 1.00 0.00 C ATOM 539 C LEU A 35 -6.259 10.057 -33.435 1.00 0.00 C ATOM 540 O LEU A 35 -6.139 11.268 -33.259 1.00 0.00 O ATOM 541 CB LEU A 35 -4.228 8.754 -34.127 1.00 0.00 C ATOM 542 CG LEU A 35 -2.957 9.609 -34.205 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.280 11.061 -34.523 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.183 9.515 -32.899 1.00 0.00 C ATOM 0 H LEU A 35 -5.609 7.036 -33.024 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.605 9.558 -32.177 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.936 7.707 -34.043 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.773 8.859 -35.065 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.341 9.221 -35.016 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.356 11.637 -34.571 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.793 11.118 -35.483 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.923 11.470 -33.744 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.282 10.126 -32.965 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.806 9.875 -32.080 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.905 8.477 -32.715 1.00 0.00 H new ATOM 556 N ASP A 36 -7.324 9.510 -34.010 1.00 0.00 N ATOM 557 CA ASP A 36 -8.469 10.311 -34.432 1.00 0.00 C ATOM 558 C ASP A 36 -9.079 11.003 -33.219 1.00 0.00 C ATOM 559 O ASP A 36 -9.518 12.147 -33.294 1.00 0.00 O ATOM 560 CB ASP A 36 -9.511 9.423 -35.118 1.00 0.00 C ATOM 561 CG ASP A 36 -10.595 10.215 -35.830 1.00 0.00 C ATOM 562 OD1 ASP A 36 -10.367 10.631 -36.986 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.687 10.397 -35.252 1.00 0.00 O ATOM 0 H ASP A 36 -7.419 8.512 -34.195 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.137 11.066 -35.145 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.010 8.776 -35.838 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.973 8.774 -34.374 1.00 0.00 H new ATOM 568 N ASP A 37 -9.049 10.300 -32.093 1.00 0.00 N ATOM 569 CA ASP A 37 -9.577 10.812 -30.831 1.00 0.00 C ATOM 570 C ASP A 37 -8.694 11.944 -30.310 1.00 0.00 C ATOM 571 O ASP A 37 -9.190 12.978 -29.857 1.00 0.00 O ATOM 572 CB ASP A 37 -9.650 9.674 -29.803 1.00 0.00 C ATOM 573 CG ASP A 37 -10.401 10.045 -28.537 1.00 0.00 C ATOM 574 OD1 ASP A 37 -11.642 10.195 -28.606 1.00 0.00 O ATOM 575 OD2 ASP A 37 -9.765 10.148 -27.469 1.00 0.00 O ATOM 0 H ASP A 37 -8.659 9.360 -32.027 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.580 11.206 -30.996 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.133 8.811 -30.262 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.637 9.369 -29.539 1.00 0.00 H new ATOM 580 N MET A 38 -7.379 11.747 -30.402 1.00 0.00 N ATOM 581 CA MET A 38 -6.414 12.756 -29.972 1.00 0.00 C ATOM 582 C MET A 38 -6.514 13.998 -30.849 1.00 0.00 C ATOM 583 O MET A 38 -6.403 15.125 -30.368 1.00 0.00 O ATOM 584 CB MET A 38 -4.986 12.201 -30.028 1.00 0.00 C ATOM 585 CG MET A 38 -4.794 10.931 -29.225 1.00 0.00 C ATOM 586 SD MET A 38 -3.068 10.416 -29.127 1.00 0.00 S ATOM 587 CE MET A 38 -2.393 11.697 -28.069 1.00 0.00 C ATOM 0 H MET A 38 -6.958 10.895 -30.772 1.00 0.00 H new ATOM 0 HA MET A 38 -6.647 13.026 -28.942 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.722 12.006 -31.067 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.296 12.960 -29.661 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.180 11.083 -28.217 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.382 10.131 -29.675 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.630 12.253 -28.613 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.190 12.376 -27.766 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.949 11.241 -27.184 1.00 0.00 H new ATOM 597 N PHE A 39 -6.744 13.779 -32.137 1.00 0.00 N ATOM 598 CA PHE A 39 -6.840 14.867 -33.100 1.00 0.00 C ATOM 599 C PHE A 39 -8.114 15.678 -32.865 1.00 0.00 C ATOM 600 O PHE A 39 -8.193 16.852 -33.230 1.00 0.00 O ATOM 601 CB PHE A 39 -6.809 14.308 -34.526 1.00 0.00 C ATOM 602 CG PHE A 39 -6.549 15.340 -35.585 1.00 0.00 C ATOM 603 CD1 PHE A 39 -5.261 15.790 -35.826 1.00 0.00 C ATOM 604 CD2 PHE A 39 -7.587 15.856 -36.342 1.00 0.00 C ATOM 605 CE1 PHE A 39 -5.013 16.735 -36.802 1.00 0.00 C ATOM 606 CE2 PHE A 39 -7.348 16.801 -37.318 1.00 0.00 C ATOM 607 CZ PHE A 39 -6.059 17.242 -37.549 1.00 0.00 C ATOM 0 H PHE A 39 -6.868 12.851 -32.541 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.986 15.531 -32.968 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.039 13.539 -34.586 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.762 13.821 -34.735 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.441 15.397 -35.243 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.596 15.514 -36.166 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.004 17.077 -36.981 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.167 17.196 -37.901 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.869 17.982 -38.312 1.00 0.00 H new ATOM 617 N GLU A 40 -9.102 15.048 -32.238 1.00 0.00 N ATOM 618 CA GLU A 40 -10.341 15.723 -31.883 1.00 0.00 C ATOM 619 C GLU A 40 -10.134 16.643 -30.686 1.00 0.00 C ATOM 620 O GLU A 40 -10.988 17.477 -30.376 1.00 0.00 O ATOM 621 CB GLU A 40 -11.431 14.701 -31.567 1.00 0.00 C ATOM 622 CG GLU A 40 -11.993 13.999 -32.790 1.00 0.00 C ATOM 623 CD GLU A 40 -12.591 14.962 -33.794 1.00 0.00 C ATOM 624 OE1 GLU A 40 -13.111 16.018 -33.376 1.00 0.00 O ATOM 625 OE2 GLU A 40 -12.540 14.673 -35.005 1.00 0.00 O ATOM 0 H GLU A 40 -9.066 14.066 -31.965 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.653 16.326 -32.736 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.027 13.953 -30.885 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.244 15.203 -31.043 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.201 13.425 -33.271 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.757 13.287 -32.476 1.00 0.00 H new ATOM 632 N GLY A 41 -8.995 16.496 -30.019 1.00 0.00 N ATOM 633 CA GLY A 41 -8.697 17.326 -28.870 1.00 0.00 C ATOM 634 C GLY A 41 -8.777 16.561 -27.565 1.00 0.00 C ATOM 635 O GLY A 41 -8.452 17.096 -26.505 1.00 0.00 O ATOM 0 H GLY A 41 -8.273 15.816 -30.255 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.698 17.747 -28.980 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.394 18.163 -28.840 1.00 0.00 H new ATOM 639 N GLU A 42 -9.205 15.309 -27.635 1.00 0.00 N ATOM 640 CA GLU A 42 -9.271 14.470 -26.452 1.00 0.00 C ATOM 641 C GLU A 42 -7.924 13.818 -26.206 1.00 0.00 C ATOM 642 O GLU A 42 -7.192 13.514 -27.146 1.00 0.00 O ATOM 643 CB GLU A 42 -10.342 13.393 -26.616 1.00 0.00 C ATOM 644 CG GLU A 42 -11.428 13.448 -25.562 1.00 0.00 C ATOM 645 CD GLU A 42 -12.248 14.714 -25.651 1.00 0.00 C ATOM 646 OE1 GLU A 42 -13.228 14.734 -26.420 1.00 0.00 O ATOM 647 OE2 GLU A 42 -11.917 15.695 -24.957 1.00 0.00 O ATOM 0 H GLU A 42 -9.510 14.855 -28.496 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.532 15.096 -25.598 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.798 13.494 -27.601 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.867 12.413 -26.584 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.084 12.584 -25.673 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.975 13.379 -24.573 1.00 0.00 H new ATOM 654 N LYS A 43 -7.594 13.614 -24.946 1.00 0.00 N ATOM 655 CA LYS A 43 -6.335 12.990 -24.600 1.00 0.00 C ATOM 656 C LYS A 43 -6.478 12.108 -23.366 1.00 0.00 C ATOM 657 O LYS A 43 -6.406 12.574 -22.228 1.00 0.00 O ATOM 658 CB LYS A 43 -5.298 14.069 -24.350 1.00 0.00 C ATOM 659 CG LYS A 43 -5.805 15.166 -23.441 1.00 0.00 C ATOM 660 CD LYS A 43 -4.674 15.889 -22.764 1.00 0.00 C ATOM 661 CE LYS A 43 -5.217 16.938 -21.828 1.00 0.00 C ATOM 662 NZ LYS A 43 -4.140 17.628 -21.070 1.00 0.00 N ATOM 0 H LYS A 43 -8.177 13.870 -24.149 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.019 12.356 -25.428 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.410 13.618 -23.908 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.995 14.503 -25.303 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.396 15.875 -24.020 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.467 14.739 -22.688 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.058 15.180 -22.210 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.031 16.355 -23.511 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.785 17.673 -22.399 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.911 16.473 -21.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.550 18.407 -20.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.680 16.952 -20.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.436 18.008 -21.735 1.00 0.00 H new ATOM 676 N VAL A 44 -6.645 10.826 -23.604 1.00 0.00 N ATOM 677 CA VAL A 44 -6.798 9.848 -22.540 1.00 0.00 C ATOM 678 C VAL A 44 -6.669 8.441 -23.103 1.00 0.00 C ATOM 679 O VAL A 44 -7.350 8.082 -24.066 1.00 0.00 O ATOM 680 CB VAL A 44 -8.149 10.013 -21.796 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.299 10.172 -22.777 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.403 8.840 -20.857 1.00 0.00 C ATOM 0 H VAL A 44 -6.679 10.427 -24.542 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.003 10.018 -21.813 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.087 10.921 -21.197 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.233 10.286 -22.227 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.131 11.055 -23.394 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.358 9.290 -23.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.357 8.981 -20.348 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.432 7.914 -21.431 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.603 8.785 -20.119 1.00 0.00 H new ATOM 692 N ALA A 45 -5.785 7.659 -22.516 1.00 0.00 N ATOM 693 CA ALA A 45 -5.585 6.293 -22.943 1.00 0.00 C ATOM 694 C ALA A 45 -6.311 5.345 -22.005 1.00 0.00 C ATOM 695 O ALA A 45 -6.200 5.458 -20.782 1.00 0.00 O ATOM 696 CB ALA A 45 -4.103 5.961 -23.000 1.00 0.00 C ATOM 0 H ALA A 45 -5.192 7.950 -21.739 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.996 6.176 -23.946 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.974 4.928 -23.324 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.608 6.627 -23.706 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.663 6.089 -22.011 1.00 0.00 H new ATOM 702 N VAL A 46 -7.065 4.432 -22.584 1.00 0.00 N ATOM 703 CA VAL A 46 -7.828 3.464 -21.817 1.00 0.00 C ATOM 704 C VAL A 46 -7.258 2.077 -22.021 1.00 0.00 C ATOM 705 O VAL A 46 -6.858 1.719 -23.127 1.00 0.00 O ATOM 706 CB VAL A 46 -9.321 3.476 -22.217 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.490 3.261 -23.717 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.111 2.434 -21.436 1.00 0.00 C ATOM 0 H VAL A 46 -7.167 4.339 -23.595 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.755 3.740 -20.765 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.718 4.460 -21.966 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.550 3.274 -23.969 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.978 4.057 -24.259 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.062 2.298 -23.997 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.157 2.467 -21.740 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.706 1.443 -21.639 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.036 2.645 -20.369 1.00 0.00 H new ATOM 718 N CYS A 47 -7.190 1.311 -20.957 1.00 0.00 N ATOM 719 CA CYS A 47 -6.746 -0.050 -21.062 1.00 0.00 C ATOM 720 C CYS A 47 -7.870 -0.999 -20.671 1.00 0.00 C ATOM 721 O CYS A 47 -8.343 -0.980 -19.533 1.00 0.00 O ATOM 722 CB CYS A 47 -5.526 -0.273 -20.172 1.00 0.00 C ATOM 723 SG CYS A 47 -4.569 -1.771 -20.567 1.00 0.00 S ATOM 0 H CYS A 47 -7.437 1.610 -20.014 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.465 -0.252 -22.095 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.870 0.594 -20.252 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.854 -0.330 -19.134 1.00 0.00 H new ATOM 728 N PRO A 48 -8.351 -1.801 -21.623 1.00 0.00 N ATOM 729 CA PRO A 48 -9.338 -2.839 -21.351 1.00 0.00 C ATOM 730 C PRO A 48 -8.742 -3.972 -20.518 1.00 0.00 C ATOM 731 O PRO A 48 -7.524 -4.133 -20.479 1.00 0.00 O ATOM 732 CB PRO A 48 -9.754 -3.335 -22.738 1.00 0.00 C ATOM 733 CG PRO A 48 -8.630 -2.965 -23.640 1.00 0.00 C ATOM 734 CD PRO A 48 -7.966 -1.755 -23.043 1.00 0.00 C ATOM 0 HA PRO A 48 -10.181 -2.464 -20.771 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.920 -4.412 -22.737 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.686 -2.870 -23.059 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.921 -3.788 -23.731 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.996 -2.748 -24.643 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.883 -1.793 -23.164 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.308 -0.836 -23.520 1.00 0.00 H new ATOM 742 N SER A 49 -9.617 -4.710 -19.828 1.00 0.00 N ATOM 743 CA SER A 49 -9.239 -5.825 -18.948 1.00 0.00 C ATOM 744 C SER A 49 -8.960 -5.322 -17.534 1.00 0.00 C ATOM 745 O SER A 49 -9.598 -5.773 -16.579 1.00 0.00 O ATOM 746 CB SER A 49 -8.045 -6.628 -19.496 1.00 0.00 C ATOM 747 OG SER A 49 -7.629 -7.641 -18.592 1.00 0.00 O ATOM 0 H SER A 49 -10.624 -4.549 -19.864 1.00 0.00 H new ATOM 0 HA SER A 49 -10.086 -6.510 -18.914 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.319 -7.082 -20.449 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.213 -5.952 -19.692 1.00 0.00 H new ATOM 0 HG SER A 49 -6.902 -8.161 -18.995 1.00 0.00 H new ATOM 753 N CYS A 50 -8.025 -4.389 -17.389 1.00 0.00 N ATOM 754 CA CYS A 50 -7.745 -3.823 -16.076 1.00 0.00 C ATOM 755 C CYS A 50 -8.619 -2.594 -15.840 1.00 0.00 C ATOM 756 O CYS A 50 -8.964 -2.269 -14.699 1.00 0.00 O ATOM 757 CB CYS A 50 -6.261 -3.467 -15.938 1.00 0.00 C ATOM 758 SG CYS A 50 -5.717 -2.121 -17.029 1.00 0.00 S ATOM 0 H CYS A 50 -7.458 -4.015 -18.150 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.980 -4.571 -15.319 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.060 -3.186 -14.904 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.664 -4.355 -16.148 1.00 0.00 H new ATOM 763 N SER A 51 -8.979 -1.931 -16.939 1.00 0.00 N ATOM 764 CA SER A 51 -9.863 -0.768 -16.920 1.00 0.00 C ATOM 765 C SER A 51 -9.174 0.431 -16.263 1.00 0.00 C ATOM 766 O SER A 51 -9.701 1.028 -15.322 1.00 0.00 O ATOM 767 CB SER A 51 -11.184 -1.110 -16.210 1.00 0.00 C ATOM 768 OG SER A 51 -12.108 -0.035 -16.280 1.00 0.00 O ATOM 0 H SER A 51 -8.662 -2.189 -17.874 1.00 0.00 H new ATOM 0 HA SER A 51 -10.093 -0.492 -17.949 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.623 -1.998 -16.665 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.985 -1.352 -15.166 1.00 0.00 H new ATOM 0 HG SER A 51 -11.699 0.773 -15.904 1.00 0.00 H new ATOM 774 N LEU A 52 -8.001 0.789 -16.773 1.00 0.00 N ATOM 775 CA LEU A 52 -7.262 1.922 -16.253 1.00 0.00 C ATOM 776 C LEU A 52 -7.183 2.998 -17.331 1.00 0.00 C ATOM 777 O LEU A 52 -6.979 2.702 -18.508 1.00 0.00 O ATOM 778 CB LEU A 52 -5.861 1.471 -15.816 1.00 0.00 C ATOM 779 CG LEU A 52 -5.245 2.232 -14.630 1.00 0.00 C ATOM 780 CD1 LEU A 52 -3.981 1.532 -14.154 1.00 0.00 C ATOM 781 CD2 LEU A 52 -4.931 3.673 -15.002 1.00 0.00 C ATOM 0 H LEU A 52 -7.545 0.307 -17.547 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.769 2.335 -15.381 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.906 0.413 -15.559 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.189 1.563 -16.669 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.977 2.241 -13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.555 2.081 -13.314 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.224 0.517 -13.838 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.257 1.495 -14.968 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.497 4.184 -14.143 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.222 3.689 -15.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.849 4.180 -15.300 1.00 0.00 H new ATOM 793 N MET A 53 -7.385 4.241 -16.933 1.00 0.00 N ATOM 794 CA MET A 53 -7.367 5.363 -17.864 1.00 0.00 C ATOM 795 C MET A 53 -6.515 6.503 -17.328 1.00 0.00 C ATOM 796 O MET A 53 -6.566 6.823 -16.140 1.00 0.00 O ATOM 797 CB MET A 53 -8.788 5.865 -18.113 1.00 0.00 C ATOM 798 CG MET A 53 -9.675 4.848 -18.803 1.00 0.00 C ATOM 799 SD MET A 53 -11.430 5.241 -18.665 1.00 0.00 S ATOM 800 CE MET A 53 -11.641 5.138 -16.890 1.00 0.00 C ATOM 0 H MET A 53 -7.565 4.504 -15.964 1.00 0.00 H new ATOM 0 HA MET A 53 -6.934 5.013 -18.801 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.239 6.142 -17.160 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.745 6.769 -18.720 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.402 4.791 -19.857 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.493 3.863 -18.373 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.549 4.580 -16.663 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.783 4.629 -16.451 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.719 6.142 -16.474 1.00 0.00 H new ATOM 810 N ILE A 54 -5.731 7.108 -18.209 1.00 0.00 N ATOM 811 CA ILE A 54 -4.910 8.261 -17.856 1.00 0.00 C ATOM 812 C ILE A 54 -4.892 9.240 -19.021 1.00 0.00 C ATOM 813 O ILE A 54 -5.124 8.847 -20.163 1.00 0.00 O ATOM 814 CB ILE A 54 -3.443 7.884 -17.485 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.597 7.571 -18.734 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.411 6.711 -16.514 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.055 6.368 -19.525 1.00 0.00 C ATOM 0 H ILE A 54 -5.645 6.817 -19.183 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.359 8.709 -16.969 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.003 8.753 -16.997 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.605 8.443 -19.388 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.564 7.413 -18.425 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.377 6.468 -16.271 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.944 6.979 -15.602 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.889 5.846 -16.973 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.400 6.227 -20.384 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.020 5.481 -18.892 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.077 6.527 -19.870 1.00 0.00 H new ATOM 829 N ASP A 55 -4.627 10.500 -18.738 1.00 0.00 N ATOM 830 CA ASP A 55 -4.551 11.512 -19.782 1.00 0.00 C ATOM 831 C ASP A 55 -3.192 11.439 -20.464 1.00 0.00 C ATOM 832 O ASP A 55 -2.237 10.898 -19.900 1.00 0.00 O ATOM 833 CB ASP A 55 -4.741 12.914 -19.205 1.00 0.00 C ATOM 834 CG ASP A 55 -6.078 13.110 -18.517 1.00 0.00 C ATOM 835 OD1 ASP A 55 -7.120 13.121 -19.204 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.089 13.286 -17.278 1.00 0.00 O ATOM 0 H ASP A 55 -4.460 10.851 -17.795 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.347 11.318 -20.501 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.942 13.116 -18.492 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.644 13.645 -20.008 1.00 0.00 H new ATOM 841 N VAL A 56 -3.096 11.982 -21.667 1.00 0.00 N ATOM 842 CA VAL A 56 -1.818 12.017 -22.370 1.00 0.00 C ATOM 843 C VAL A 56 -1.586 13.381 -23.020 1.00 0.00 C ATOM 844 O VAL A 56 -2.499 13.977 -23.579 1.00 0.00 O ATOM 845 CB VAL A 56 -1.726 10.902 -23.438 1.00 0.00 C ATOM 846 CG1 VAL A 56 -2.800 11.071 -24.493 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.346 10.871 -24.077 1.00 0.00 C ATOM 0 H VAL A 56 -3.876 12.400 -22.174 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.039 11.844 -21.627 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.889 9.948 -22.937 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.713 10.274 -25.232 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.782 11.024 -24.023 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.679 12.036 -24.984 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.309 10.078 -24.824 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.145 11.830 -24.555 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.406 10.683 -23.310 1.00 0.00 H new ATOM 857 N VAL A 57 -0.366 13.881 -22.922 1.00 0.00 N ATOM 858 CA VAL A 57 -0.008 15.152 -23.538 1.00 0.00 C ATOM 859 C VAL A 57 0.070 14.994 -25.056 1.00 0.00 C ATOM 860 O VAL A 57 0.519 13.964 -25.548 1.00 0.00 O ATOM 861 CB VAL A 57 1.343 15.664 -22.992 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.702 17.009 -23.605 1.00 0.00 C ATOM 863 CG2 VAL A 57 1.297 15.749 -21.474 1.00 0.00 C ATOM 0 H VAL A 57 0.397 13.426 -22.421 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.779 15.882 -23.292 1.00 0.00 H new ATOM 0 HB VAL A 57 2.122 14.955 -23.273 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.657 17.348 -23.204 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.778 16.907 -24.688 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.928 17.737 -23.363 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.255 16.111 -21.101 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.507 16.436 -21.172 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.096 14.761 -21.060 1.00 0.00 H new ATOM 873 N PHE A 58 -0.386 16.000 -25.798 1.00 0.00 N ATOM 874 CA PHE A 58 -0.384 15.926 -27.253 1.00 0.00 C ATOM 875 C PHE A 58 -0.227 17.312 -27.868 1.00 0.00 C ATOM 876 O PHE A 58 -0.554 18.322 -27.242 1.00 0.00 O ATOM 877 CB PHE A 58 -1.683 15.282 -27.759 1.00 0.00 C ATOM 878 CG PHE A 58 -2.902 16.156 -27.611 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.495 16.349 -26.373 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.452 16.786 -28.717 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.611 17.152 -26.242 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.568 17.591 -28.591 1.00 0.00 C ATOM 883 CZ PHE A 58 -5.149 17.773 -27.351 1.00 0.00 C ATOM 0 H PHE A 58 -0.759 16.870 -25.417 1.00 0.00 H new ATOM 0 HA PHE A 58 0.463 15.311 -27.556 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.561 15.022 -28.810 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.849 14.351 -27.217 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.080 15.866 -25.501 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.003 16.646 -29.689 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.063 17.294 -25.271 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.985 18.077 -29.460 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.022 18.400 -27.250 1.00 0.00 H new ATOM 893 N ASP A 59 0.275 17.345 -29.095 1.00 0.00 N ATOM 894 CA ASP A 59 0.385 18.580 -29.853 1.00 0.00 C ATOM 895 C ASP A 59 -0.099 18.338 -31.262 1.00 0.00 C ATOM 896 O ASP A 59 -0.065 17.207 -31.750 1.00 0.00 O ATOM 897 CB ASP A 59 1.828 19.072 -29.907 1.00 0.00 C ATOM 898 CG ASP A 59 1.913 20.565 -30.129 1.00 0.00 C ATOM 899 OD1 ASP A 59 1.774 21.010 -31.288 1.00 0.00 O ATOM 900 OD2 ASP A 59 2.106 21.301 -29.138 1.00 0.00 O ATOM 0 H ASP A 59 0.615 16.520 -29.589 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.222 19.339 -29.359 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.333 18.815 -28.976 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.356 18.556 -30.709 1.00 0.00 H new ATOM 905 N LYS A 60 -0.535 19.396 -31.916 1.00 0.00 N ATOM 906 CA LYS A 60 -1.010 19.298 -33.281 1.00 0.00 C ATOM 907 C LYS A 60 0.106 18.866 -34.222 1.00 0.00 C ATOM 908 O LYS A 60 -0.136 18.120 -35.165 1.00 0.00 O ATOM 909 CB LYS A 60 -1.620 20.625 -33.723 1.00 0.00 C ATOM 910 CG LYS A 60 -3.007 20.855 -33.153 1.00 0.00 C ATOM 911 CD LYS A 60 -3.540 22.230 -33.508 1.00 0.00 C ATOM 912 CE LYS A 60 -5.010 22.360 -33.141 1.00 0.00 C ATOM 913 NZ LYS A 60 -5.585 23.670 -33.554 1.00 0.00 N ATOM 0 H LYS A 60 -0.570 20.336 -31.522 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.785 18.532 -33.321 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.966 21.441 -33.415 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.671 20.651 -34.811 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.687 20.092 -33.532 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.977 20.745 -32.069 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.963 22.993 -32.986 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.412 22.409 -34.576 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.572 21.555 -33.614 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.125 22.239 -32.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.588 23.710 -33.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.068 24.440 -33.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.501 23.776 -34.585 1.00 0.00 H new ATOM 927 N GLU A 61 1.332 19.302 -33.950 1.00 0.00 N ATOM 928 CA GLU A 61 2.454 18.942 -34.809 1.00 0.00 C ATOM 929 C GLU A 61 2.860 17.482 -34.599 1.00 0.00 C ATOM 930 O GLU A 61 3.139 16.769 -35.563 1.00 0.00 O ATOM 931 CB GLU A 61 3.649 19.877 -34.598 1.00 0.00 C ATOM 932 CG GLU A 61 4.181 19.911 -33.176 1.00 0.00 C ATOM 933 CD GLU A 61 5.402 20.793 -33.046 1.00 0.00 C ATOM 934 OE1 GLU A 61 5.251 22.033 -33.064 1.00 0.00 O ATOM 935 OE2 GLU A 61 6.522 20.257 -32.950 1.00 0.00 O ATOM 0 H GLU A 61 1.572 19.895 -33.155 1.00 0.00 H new ATOM 0 HA GLU A 61 2.124 19.058 -35.841 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.454 19.572 -35.266 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.359 20.887 -34.888 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.401 20.272 -32.506 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.430 18.899 -32.858 1.00 0.00 H new ATOM 942 N ASP A 62 2.868 17.035 -33.344 1.00 0.00 N ATOM 943 CA ASP A 62 3.172 15.638 -33.033 1.00 0.00 C ATOM 944 C ASP A 62 2.176 14.716 -33.721 1.00 0.00 C ATOM 945 O ASP A 62 2.553 13.722 -34.346 1.00 0.00 O ATOM 946 CB ASP A 62 3.132 15.377 -31.520 1.00 0.00 C ATOM 947 CG ASP A 62 4.290 15.999 -30.767 1.00 0.00 C ATOM 948 OD1 ASP A 62 5.452 15.628 -31.037 1.00 0.00 O ATOM 949 OD2 ASP A 62 4.040 16.842 -29.881 1.00 0.00 O ATOM 0 H ASP A 62 2.669 17.616 -32.530 1.00 0.00 H new ATOM 0 HA ASP A 62 4.179 15.435 -33.396 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.197 15.766 -31.117 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.132 14.301 -31.345 1.00 0.00 H new ATOM 954 N LEU A 63 0.899 15.067 -33.611 1.00 0.00 N ATOM 955 CA LEU A 63 -0.169 14.260 -34.183 1.00 0.00 C ATOM 956 C LEU A 63 -0.151 14.312 -35.704 1.00 0.00 C ATOM 957 O LEU A 63 -0.283 13.284 -36.360 1.00 0.00 O ATOM 958 CB LEU A 63 -1.531 14.721 -33.664 1.00 0.00 C ATOM 959 CG LEU A 63 -1.731 14.594 -32.154 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.146 14.994 -31.778 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.430 13.177 -31.690 1.00 0.00 C ATOM 0 H LEU A 63 0.580 15.907 -33.129 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.000 13.228 -33.874 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.675 15.764 -33.947 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.307 14.144 -34.167 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.036 15.268 -31.653 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.277 14.899 -30.700 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.323 16.027 -32.076 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.856 14.343 -32.288 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.578 13.108 -30.612 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.099 12.479 -32.194 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.397 12.927 -31.931 1.00 0.00 H new ATOM 973 N ALA A 64 0.019 15.507 -36.260 1.00 0.00 N ATOM 974 CA ALA A 64 0.015 15.685 -37.707 1.00 0.00 C ATOM 975 C ALA A 64 1.117 14.867 -38.367 1.00 0.00 C ATOM 976 O ALA A 64 0.876 14.168 -39.356 1.00 0.00 O ATOM 977 CB ALA A 64 0.164 17.154 -38.068 1.00 0.00 C ATOM 0 H ALA A 64 0.161 16.367 -35.730 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.944 15.328 -38.081 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.159 17.265 -39.152 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.665 17.719 -37.641 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.105 17.533 -37.669 1.00 0.00 H new ATOM 983 N GLU A 65 2.319 14.944 -37.807 1.00 0.00 N ATOM 984 CA GLU A 65 3.451 14.222 -38.362 1.00 0.00 C ATOM 985 C GLU A 65 3.214 12.721 -38.248 1.00 0.00 C ATOM 986 O GLU A 65 3.335 11.990 -39.229 1.00 0.00 O ATOM 987 CB GLU A 65 4.754 14.603 -37.655 1.00 0.00 C ATOM 988 CG GLU A 65 5.984 14.255 -38.483 1.00 0.00 C ATOM 989 CD GLU A 65 7.289 14.667 -37.836 1.00 0.00 C ATOM 990 OE1 GLU A 65 7.606 15.877 -37.845 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.027 13.781 -37.351 1.00 0.00 O ATOM 0 H GLU A 65 2.531 15.495 -36.976 1.00 0.00 H new ATOM 0 HA GLU A 65 3.546 14.495 -39.413 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.751 15.672 -37.444 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.808 14.089 -36.695 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.000 13.180 -38.660 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.904 14.737 -39.457 1.00 0.00 H new ATOM 998 N TYR A 66 2.837 12.279 -37.051 1.00 0.00 N ATOM 999 CA TYR A 66 2.602 10.863 -36.792 1.00 0.00 C ATOM 1000 C TYR A 66 1.461 10.328 -37.652 1.00 0.00 C ATOM 1001 O TYR A 66 1.481 9.173 -38.082 1.00 0.00 O ATOM 1002 CB TYR A 66 2.299 10.632 -35.311 1.00 0.00 C ATOM 1003 CG TYR A 66 2.021 9.187 -34.975 1.00 0.00 C ATOM 1004 CD1 TYR A 66 3.038 8.244 -35.002 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.743 8.765 -34.643 1.00 0.00 C ATOM 1006 CE1 TYR A 66 2.786 6.920 -34.703 1.00 0.00 C ATOM 1007 CE2 TYR A 66 0.483 7.445 -34.342 1.00 0.00 C ATOM 1008 CZ TYR A 66 1.508 6.526 -34.374 1.00 0.00 C ATOM 1009 OH TYR A 66 1.250 5.211 -34.073 1.00 0.00 O ATOM 0 H TYR A 66 2.688 12.884 -36.243 1.00 0.00 H new ATOM 0 HA TYR A 66 3.510 10.320 -37.055 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.144 10.980 -34.716 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.438 11.236 -35.025 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.041 8.550 -35.261 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.063 9.483 -34.620 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.587 6.196 -34.727 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.518 7.134 -34.083 1.00 0.00 H new ATOM 0 HH TYR A 66 0.717 4.810 -34.791 1.00 0.00 H new ATOM 1019 N TYR A 67 0.465 11.174 -37.892 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.672 10.822 -38.735 1.00 0.00 C ATOM 1021 C TYR A 67 -0.174 10.339 -40.094 1.00 0.00 C ATOM 1022 O TYR A 67 -0.634 9.324 -40.616 1.00 0.00 O ATOM 1023 CB TYR A 67 -1.572 12.048 -38.915 1.00 0.00 C ATOM 1024 CG TYR A 67 -3.051 11.743 -38.975 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -3.673 11.432 -40.175 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -3.828 11.787 -37.826 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -5.028 11.164 -40.224 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -5.182 11.518 -37.867 1.00 0.00 C ATOM 1029 CZ TYR A 67 -5.775 11.210 -39.070 1.00 0.00 C ATOM 1030 OH TYR A 67 -7.125 10.942 -39.116 1.00 0.00 O ATOM 0 H TYR A 67 0.423 12.119 -37.510 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.243 10.023 -38.261 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.391 12.739 -38.092 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.283 12.562 -39.832 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.090 11.399 -41.084 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.365 12.036 -36.882 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.498 10.919 -41.165 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.771 11.549 -36.962 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.504 11.016 -38.215 1.00 0.00 H new ATOM 1040 N GLU A 68 0.785 11.070 -40.649 1.00 0.00 N ATOM 1041 CA GLU A 68 1.362 10.718 -41.937 1.00 0.00 C ATOM 1042 C GLU A 68 2.348 9.554 -41.800 1.00 0.00 C ATOM 1043 O GLU A 68 2.457 8.719 -42.700 1.00 0.00 O ATOM 1044 CB GLU A 68 2.039 11.937 -42.563 1.00 0.00 C ATOM 1045 CG GLU A 68 2.522 11.704 -43.984 1.00 0.00 C ATOM 1046 CD GLU A 68 2.896 12.990 -44.688 1.00 0.00 C ATOM 1047 OE1 GLU A 68 4.049 13.444 -44.542 1.00 0.00 O ATOM 1048 OE2 GLU A 68 2.032 13.555 -45.393 1.00 0.00 O ATOM 0 H GLU A 68 1.179 11.910 -40.226 1.00 0.00 H new ATOM 0 HA GLU A 68 0.557 10.392 -42.596 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.339 12.772 -42.559 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.887 12.229 -41.944 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.386 11.039 -43.966 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.741 11.197 -44.551 1.00 0.00 H new ATOM 1055 N GLU A 69 3.051 9.499 -40.668 1.00 0.00 N ATOM 1056 CA GLU A 69 3.993 8.413 -40.392 1.00 0.00 C ATOM 1057 C GLU A 69 3.277 7.069 -40.360 1.00 0.00 C ATOM 1058 O GLU A 69 3.702 6.110 -41.002 1.00 0.00 O ATOM 1059 CB GLU A 69 4.708 8.632 -39.056 1.00 0.00 C ATOM 1060 CG GLU A 69 5.543 9.897 -39.007 1.00 0.00 C ATOM 1061 CD GLU A 69 6.326 10.028 -37.718 1.00 0.00 C ATOM 1062 OE1 GLU A 69 5.734 10.378 -36.681 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.551 9.785 -37.742 1.00 0.00 O ATOM 0 H GLU A 69 2.986 10.196 -39.926 1.00 0.00 H new ATOM 0 HA GLU A 69 4.730 8.410 -41.195 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.965 8.667 -38.259 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.351 7.775 -38.855 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.234 9.905 -39.850 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.891 10.763 -39.121 1.00 0.00 H new ATOM 1070 N ALA A 70 2.188 7.007 -39.605 1.00 0.00 N ATOM 1071 CA ALA A 70 1.420 5.778 -39.471 1.00 0.00 C ATOM 1072 C ALA A 70 0.689 5.443 -40.764 1.00 0.00 C ATOM 1073 O ALA A 70 0.404 4.278 -41.046 1.00 0.00 O ATOM 1074 CB ALA A 70 0.444 5.890 -38.311 1.00 0.00 C ATOM 0 H ALA A 70 1.817 7.796 -39.075 1.00 0.00 H new ATOM 0 HA ALA A 70 2.114 4.963 -39.263 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.124 4.964 -38.222 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.995 6.067 -37.388 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.240 6.719 -38.490 1.00 0.00 H new ATOM 1080 N GLY A 71 0.405 6.468 -41.553 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.240 6.260 -42.832 1.00 0.00 C ATOM 1082 C GLY A 71 -1.751 6.265 -42.731 1.00 0.00 C ATOM 1083 O GLY A 71 -2.432 5.549 -43.467 1.00 0.00 O ATOM 0 H GLY A 71 0.610 7.442 -41.330 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.076 7.039 -43.525 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.089 5.309 -43.250 1.00 0.00 H new ATOM 1087 N ILE A 72 -2.284 7.065 -41.818 1.00 0.00 N ATOM 1088 CA ILE A 72 -3.725 7.189 -41.665 1.00 0.00 C ATOM 1089 C ILE A 72 -4.322 7.988 -42.833 1.00 0.00 C ATOM 1090 O ILE A 72 -3.613 8.359 -43.771 1.00 0.00 O ATOM 1091 CB ILE A 72 -4.109 7.865 -40.324 1.00 0.00 C ATOM 1092 CG1 ILE A 72 -2.979 7.724 -39.295 1.00 0.00 C ATOM 1093 CG2 ILE A 72 -5.393 7.253 -39.779 1.00 0.00 C ATOM 1094 CD1 ILE A 72 -3.334 8.224 -37.910 1.00 0.00 C ATOM 0 H ILE A 72 -1.740 7.637 -41.173 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.136 6.179 -41.664 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.270 8.927 -40.510 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.693 6.674 -39.228 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.106 8.270 -39.653 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.654 7.735 -38.837 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.200 7.400 -40.497 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.245 6.186 -39.612 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.482 8.088 -37.245 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.590 9.282 -37.960 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.186 7.662 -37.528 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.621 8.248 -42.766 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.349 8.878 -43.868 1.00 0.00 C ATOM 1108 C HIS A 73 -5.894 10.325 -44.072 1.00 0.00 C ATOM 1109 O HIS A 73 -5.255 10.903 -43.194 1.00 0.00 O ATOM 1110 CB HIS A 73 -7.858 8.833 -43.598 1.00 0.00 C ATOM 1111 CG HIS A 73 -8.425 7.444 -43.510 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -9.769 7.174 -43.624 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -7.824 6.248 -43.304 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -9.969 5.877 -43.490 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -8.804 5.291 -43.296 1.00 0.00 N ATOM 0 H HIS A 73 -6.199 8.031 -41.954 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.132 8.322 -44.780 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.065 9.358 -42.665 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.374 9.375 -44.390 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.766 6.080 -43.170 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.926 5.379 -43.532 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.657 4.291 -43.162 1.00 0.00 H new ATOM 1124 N PRO A 74 -6.201 10.921 -45.241 1.00 0.00 N ATOM 1125 CA PRO A 74 -5.845 12.316 -45.541 1.00 0.00 C ATOM 1126 C PRO A 74 -6.267 13.286 -44.435 1.00 0.00 C ATOM 1127 O PRO A 74 -7.455 13.460 -44.159 1.00 0.00 O ATOM 1128 CB PRO A 74 -6.615 12.606 -46.828 1.00 0.00 C ATOM 1129 CG PRO A 74 -6.750 11.279 -47.486 1.00 0.00 C ATOM 1130 CD PRO A 74 -6.903 10.283 -46.372 1.00 0.00 C ATOM 0 HA PRO A 74 -4.767 12.448 -45.630 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.590 13.046 -46.617 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.078 13.311 -47.462 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.614 11.258 -48.150 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.874 11.053 -48.095 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.952 10.098 -46.140 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.459 9.321 -46.629 1.00 0.00 H new ATOM 1138 N PRO A 75 -5.286 13.925 -43.786 1.00 0.00 N ATOM 1139 CA PRO A 75 -5.536 14.830 -42.669 1.00 0.00 C ATOM 1140 C PRO A 75 -6.032 16.198 -43.123 1.00 0.00 C ATOM 1141 O PRO A 75 -5.847 16.590 -44.277 1.00 0.00 O ATOM 1142 CB PRO A 75 -4.163 14.949 -42.009 1.00 0.00 C ATOM 1143 CG PRO A 75 -3.192 14.756 -43.121 1.00 0.00 C ATOM 1144 CD PRO A 75 -3.848 13.816 -44.099 1.00 0.00 C ATOM 0 HA PRO A 75 -6.317 14.457 -42.006 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.034 15.922 -41.535 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.030 14.196 -41.232 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.952 15.707 -43.597 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.255 14.340 -42.751 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.641 14.103 -45.130 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.488 12.795 -43.974 1.00 0.00 H new ATOM 1152 N GLU A 76 -6.683 16.909 -42.215 1.00 0.00 N ATOM 1153 CA GLU A 76 -7.126 18.270 -42.481 1.00 0.00 C ATOM 1154 C GLU A 76 -6.036 19.257 -42.060 1.00 0.00 C ATOM 1155 O GLU A 76 -5.330 19.019 -41.078 1.00 0.00 O ATOM 1156 CB GLU A 76 -8.443 18.563 -41.746 1.00 0.00 C ATOM 1157 CG GLU A 76 -8.355 18.428 -40.233 1.00 0.00 C ATOM 1158 CD GLU A 76 -9.673 18.719 -39.543 1.00 0.00 C ATOM 1159 OE1 GLU A 76 -10.134 19.878 -39.600 1.00 0.00 O ATOM 1160 OE2 GLU A 76 -10.253 17.796 -38.934 1.00 0.00 O ATOM 0 H GLU A 76 -6.917 16.565 -41.284 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.308 18.383 -43.550 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.766 19.575 -41.991 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.212 17.885 -42.116 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.032 17.418 -39.980 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.593 19.110 -39.855 1.00 0.00 H new ATOM 1167 N PRO A 77 -5.863 20.357 -42.808 1.00 0.00 N ATOM 1168 CA PRO A 77 -4.839 21.359 -42.504 1.00 0.00 C ATOM 1169 C PRO A 77 -5.056 22.020 -41.146 1.00 0.00 C ATOM 1170 O PRO A 77 -6.186 22.340 -40.768 1.00 0.00 O ATOM 1171 CB PRO A 77 -4.977 22.387 -43.625 1.00 0.00 C ATOM 1172 CG PRO A 77 -6.342 22.169 -44.189 1.00 0.00 C ATOM 1173 CD PRO A 77 -6.637 20.707 -44.010 1.00 0.00 C ATOM 0 HA PRO A 77 -3.847 20.910 -42.449 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.866 23.402 -43.244 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.209 22.246 -44.386 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.080 22.782 -43.672 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.378 22.448 -45.242 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.703 20.525 -43.871 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.324 20.123 -44.876 1.00 0.00 H new ATOM 1181 N ILE A 78 -3.968 22.231 -40.425 1.00 0.00 N ATOM 1182 CA ILE A 78 -4.037 22.785 -39.082 1.00 0.00 C ATOM 1183 C ILE A 78 -3.426 24.176 -39.032 1.00 0.00 C ATOM 1184 O ILE A 78 -2.550 24.514 -39.833 1.00 0.00 O ATOM 1185 CB ILE A 78 -3.324 21.886 -38.049 1.00 0.00 C ATOM 1186 CG1 ILE A 78 -1.861 21.667 -38.449 1.00 0.00 C ATOM 1187 CG2 ILE A 78 -4.053 20.556 -37.909 1.00 0.00 C ATOM 1188 CD1 ILE A 78 -1.051 20.911 -37.418 1.00 0.00 C ATOM 0 H ILE A 78 -3.022 22.026 -40.748 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.095 22.841 -38.825 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.340 22.387 -37.081 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.830 21.122 -39.392 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.394 22.636 -38.625 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.538 19.934 -37.177 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.076 20.735 -37.577 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.068 20.046 -38.872 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.027 20.796 -37.773 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.049 21.465 -36.479 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.493 19.927 -37.258 1.00 0.00 H new ATOM 1200 N ALA A 79 -3.895 24.981 -38.095 1.00 0.00 N ATOM 1201 CA ALA A 79 -3.362 26.316 -37.896 1.00 0.00 C ATOM 1202 C ALA A 79 -2.590 26.377 -36.590 1.00 0.00 C ATOM 1203 O ALA A 79 -3.171 26.540 -35.518 1.00 0.00 O ATOM 1204 CB ALA A 79 -4.482 27.345 -37.915 1.00 0.00 C ATOM 0 H ALA A 79 -4.649 24.730 -37.456 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.678 26.549 -38.712 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.064 28.340 -37.764 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.994 27.308 -38.877 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.192 27.125 -37.118 1.00 0.00 H new ATOM 1210 N ALA A 80 -1.283 26.204 -36.685 1.00 0.00 N ATOM 1211 CA ALA A 80 -0.424 26.230 -35.512 1.00 0.00 C ATOM 1212 C ALA A 80 0.743 27.183 -35.723 1.00 0.00 C ATOM 1213 O ALA A 80 1.558 27.395 -34.823 1.00 0.00 O ATOM 1214 CB ALA A 80 0.079 24.830 -35.188 1.00 0.00 C ATOM 0 H ALA A 80 -0.792 26.044 -37.564 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.009 26.589 -34.666 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.720 24.869 -34.307 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.770 24.175 -34.990 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.647 24.443 -36.034 1.00 0.00 H new ATOM 1220 N ALA A 81 0.808 27.758 -36.918 1.00 0.00 N ATOM 1221 CA ALA A 81 1.877 28.681 -37.273 1.00 0.00 C ATOM 1222 C ALA A 81 1.448 29.575 -38.428 1.00 0.00 C ATOM 1223 O ALA A 81 1.616 30.795 -38.384 1.00 0.00 O ATOM 1224 CB ALA A 81 3.140 27.913 -37.637 1.00 0.00 C ATOM 0 H ALA A 81 0.128 27.599 -37.661 1.00 0.00 H new ATOM 0 HA ALA A 81 2.090 29.312 -36.410 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.930 28.616 -37.900 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.458 27.311 -36.786 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.937 27.261 -38.486 1.00 0.00 H new ATOM 1230 N ALA A 82 0.872 28.959 -39.451 1.00 0.00 N ATOM 1231 CA ALA A 82 0.406 29.690 -40.617 1.00 0.00 C ATOM 1232 C ALA A 82 -1.017 29.282 -40.957 1.00 0.00 C ATOM 1233 O ALA A 82 -1.948 30.038 -40.616 1.00 0.00 O ATOM 1234 CB ALA A 82 1.324 29.445 -41.800 1.00 0.00 C ATOM 1235 OXT ALA A 82 -1.197 28.178 -41.515 1.00 0.00 O ATOM 0 H ALA A 82 0.717 27.952 -39.495 1.00 0.00 H new ATOM 0 HA ALA A 82 0.419 30.755 -40.387 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.960 30.000 -42.664 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.332 29.778 -41.553 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.341 28.380 -42.033 1.00 0.00 H new TER 1241 ALA A 82 HETATM 1242 ZN ZN A 83 -4.208 -2.930 -18.597 1.00 0.00 ZN