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 18 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Set 1.2: A 20 MET CE :methyl -130:sc= 0 (180deg=-0.229) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.0716 (180deg=-0.191) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 138:sc= -0.645 (180deg=-1.61) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.747 K(o=0.75,f=-0.19) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.058) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 161:sc= -0.608 (180deg=-1.69) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 1.07 (180deg=0.824) USER MOD Single : A 49 SER OG : rot 170:sc= 0 USER MOD Single : A 51 SER OG : rot -45:sc= 0.765 USER MOD Single : A 53 MET CE :methyl -134:sc= -0.358 (180deg=-1.33!) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= 0.377 (180deg=0.298) USER MOD Single : A 66 TYR OH : rot 78:sc= 0.229 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.370 6.226 -11.629 1.00 0.00 N ATOM 2 CA MET A 1 -11.142 6.761 -11.049 1.00 0.00 C ATOM 3 C MET A 1 -10.669 7.988 -11.819 1.00 0.00 C ATOM 4 O MET A 1 -9.797 8.725 -11.358 1.00 0.00 O ATOM 5 CB MET A 1 -10.047 5.692 -11.061 1.00 0.00 C ATOM 6 CG MET A 1 -9.456 5.388 -9.692 1.00 0.00 C ATOM 7 SD MET A 1 -8.570 6.787 -8.979 1.00 0.00 S ATOM 8 CE MET A 1 -8.047 6.090 -7.417 1.00 0.00 C ATOM 0 H1 MET A 1 -12.729 5.455 -11.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.084 6.980 -11.687 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.173 5.861 -12.583 1.00 0.00 H new ATOM 0 HA MET A 1 -11.351 7.055 -10.020 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.457 4.773 -11.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.246 6.016 -11.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.257 5.089 -9.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.777 4.540 -9.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.484 6.836 -6.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.922 5.788 -6.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.416 5.220 -7.600 1.00 0.00 H new ATOM 18 N SER A 2 -11.256 8.194 -12.996 1.00 0.00 N ATOM 19 CA SER A 2 -10.894 9.303 -13.869 1.00 0.00 C ATOM 20 C SER A 2 -9.443 9.179 -14.332 1.00 0.00 C ATOM 21 O SER A 2 -8.834 8.111 -14.220 1.00 0.00 O ATOM 22 CB SER A 2 -11.126 10.635 -13.149 1.00 0.00 C ATOM 23 OG SER A 2 -12.466 10.728 -12.685 1.00 0.00 O ATOM 0 H SER A 2 -11.994 7.597 -13.369 1.00 0.00 H new ATOM 0 HA SER A 2 -11.529 9.271 -14.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.438 10.725 -12.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.912 11.462 -13.826 1.00 0.00 H new ATOM 0 HG SER A 2 -12.595 11.584 -12.226 1.00 0.00 H new ATOM 29 N THR A 3 -8.900 10.256 -14.875 1.00 0.00 N ATOM 30 CA THR A 3 -7.523 10.262 -15.323 1.00 0.00 C ATOM 31 C THR A 3 -6.590 10.706 -14.201 1.00 0.00 C ATOM 32 O THR A 3 -6.484 11.894 -13.887 1.00 0.00 O ATOM 33 CB THR A 3 -7.357 11.162 -16.557 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.229 12.292 -16.458 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.673 10.392 -17.826 1.00 0.00 C ATOM 0 H THR A 3 -9.395 11.137 -15.015 1.00 0.00 H new ATOM 0 HA THR A 3 -7.253 9.244 -15.605 1.00 0.00 H new ATOM 0 HB THR A 3 -6.322 11.501 -16.597 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.117 12.862 -17.247 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.550 11.046 -18.689 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.995 9.543 -17.915 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.701 10.033 -17.787 1.00 0.00 H new ATOM 43 N TYR A 4 -5.937 9.732 -13.584 1.00 0.00 N ATOM 44 CA TYR A 4 -5.056 9.988 -12.453 1.00 0.00 C ATOM 45 C TYR A 4 -3.702 10.488 -12.942 1.00 0.00 C ATOM 46 O TYR A 4 -3.069 11.340 -12.311 1.00 0.00 O ATOM 47 CB TYR A 4 -4.888 8.703 -11.632 1.00 0.00 C ATOM 48 CG TYR A 4 -4.732 8.932 -10.144 1.00 0.00 C ATOM 49 CD1 TYR A 4 -5.833 9.242 -9.357 1.00 0.00 C ATOM 50 CD2 TYR A 4 -3.493 8.819 -9.522 1.00 0.00 C ATOM 51 CE1 TYR A 4 -5.709 9.433 -7.995 1.00 0.00 C ATOM 52 CE2 TYR A 4 -3.361 9.011 -8.158 1.00 0.00 C ATOM 53 CZ TYR A 4 -4.472 9.319 -7.399 1.00 0.00 C ATOM 54 OH TYR A 4 -4.347 9.504 -6.039 1.00 0.00 O ATOM 0 H TYR A 4 -6.002 8.749 -13.850 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.498 10.758 -11.821 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.753 8.062 -11.801 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.015 8.163 -11.998 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.805 9.336 -9.819 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.621 8.578 -10.112 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.578 9.671 -7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.392 8.920 -7.689 1.00 0.00 H new ATOM 0 HH TYR A 4 -3.410 9.388 -5.778 1.00 0.00 H new ATOM 64 N ASP A 5 -3.271 9.967 -14.081 1.00 0.00 N ATOM 65 CA ASP A 5 -1.995 10.356 -14.666 1.00 0.00 C ATOM 66 C ASP A 5 -2.216 11.069 -15.993 1.00 0.00 C ATOM 67 O ASP A 5 -3.270 10.922 -16.613 1.00 0.00 O ATOM 68 CB ASP A 5 -1.094 9.136 -14.888 1.00 0.00 C ATOM 69 CG ASP A 5 -0.480 8.604 -13.610 1.00 0.00 C ATOM 70 OD1 ASP A 5 -1.155 7.844 -12.886 1.00 0.00 O ATOM 71 OD2 ASP A 5 0.690 8.943 -13.325 1.00 0.00 O ATOM 0 H ASP A 5 -3.787 9.272 -14.620 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.502 11.032 -13.967 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.676 8.344 -15.360 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.297 9.403 -15.582 1.00 0.00 H new ATOM 76 N GLU A 6 -1.220 11.837 -16.416 1.00 0.00 N ATOM 77 CA GLU A 6 -1.263 12.550 -17.689 1.00 0.00 C ATOM 78 C GLU A 6 0.134 12.539 -18.305 1.00 0.00 C ATOM 79 O GLU A 6 1.052 13.174 -17.780 1.00 0.00 O ATOM 80 CB GLU A 6 -1.748 13.992 -17.472 1.00 0.00 C ATOM 81 CG GLU A 6 -1.989 14.775 -18.757 1.00 0.00 C ATOM 82 CD GLU A 6 -2.522 16.174 -18.498 1.00 0.00 C ATOM 83 OE1 GLU A 6 -3.685 16.304 -18.060 1.00 0.00 O ATOM 84 OE2 GLU A 6 -1.783 17.152 -18.728 1.00 0.00 O ATOM 0 H GLU A 6 -0.360 11.984 -15.888 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.961 12.058 -18.366 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.673 13.968 -16.896 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.011 14.524 -16.870 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.056 14.844 -19.317 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.697 14.231 -19.382 1.00 0.00 H new ATOM 91 N ILE A 7 0.310 11.806 -19.400 1.00 0.00 N ATOM 92 CA ILE A 7 1.653 11.572 -19.930 1.00 0.00 C ATOM 93 C ILE A 7 1.814 12.183 -21.310 1.00 0.00 C ATOM 94 O ILE A 7 0.903 12.114 -22.132 1.00 0.00 O ATOM 95 CB ILE A 7 2.000 10.064 -20.030 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.581 9.304 -18.773 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.490 9.872 -20.272 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.214 8.674 -18.889 1.00 0.00 C ATOM 0 H ILE A 7 -0.444 11.370 -19.931 1.00 0.00 H new ATOM 0 HA ILE A 7 2.334 12.046 -19.223 1.00 0.00 H new ATOM 0 HB ILE A 7 1.442 9.660 -20.875 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.316 8.527 -18.564 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.589 9.987 -17.923 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.713 8.807 -20.339 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.773 10.362 -21.204 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.052 10.309 -19.447 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.025 8.149 -17.964 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.530 9.450 -19.068 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.208 7.967 -19.719 1.00 0.00 H new ATOM 110 N GLU A 8 2.972 12.786 -21.560 1.00 0.00 N ATOM 111 CA GLU A 8 3.290 13.286 -22.891 1.00 0.00 C ATOM 112 C GLU A 8 3.235 12.154 -23.909 1.00 0.00 C ATOM 113 O GLU A 8 3.745 11.057 -23.669 1.00 0.00 O ATOM 114 CB GLU A 8 4.665 13.958 -22.926 1.00 0.00 C ATOM 115 CG GLU A 8 4.721 15.277 -22.171 1.00 0.00 C ATOM 116 CD GLU A 8 5.997 16.047 -22.444 1.00 0.00 C ATOM 117 OE1 GLU A 8 6.998 15.828 -21.730 1.00 0.00 O ATOM 118 OE2 GLU A 8 6.009 16.875 -23.379 1.00 0.00 O ATOM 0 H GLU A 8 3.701 12.939 -20.863 1.00 0.00 H new ATOM 0 HA GLU A 8 2.543 14.037 -23.149 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.403 13.276 -22.504 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.948 14.132 -23.964 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.864 15.889 -22.451 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.639 15.084 -21.101 1.00 0.00 H new ATOM 125 N ILE A 9 2.612 12.442 -25.042 1.00 0.00 N ATOM 126 CA ILE A 9 2.411 11.470 -26.112 1.00 0.00 C ATOM 127 C ILE A 9 3.732 10.832 -26.556 1.00 0.00 C ATOM 128 O ILE A 9 3.763 9.678 -26.977 1.00 0.00 O ATOM 129 CB ILE A 9 1.711 12.137 -27.320 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.455 11.124 -28.434 1.00 0.00 C ATOM 131 CG2 ILE A 9 2.537 13.307 -27.839 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.650 11.685 -29.585 1.00 0.00 C ATOM 0 H ILE A 9 2.228 13.364 -25.249 1.00 0.00 H new ATOM 0 HA ILE A 9 1.774 10.677 -25.719 1.00 0.00 H new ATOM 0 HB ILE A 9 0.747 12.517 -26.983 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.411 10.762 -28.812 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.930 10.264 -28.019 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.028 13.763 -28.688 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.657 14.047 -27.048 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.518 12.949 -28.153 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.506 10.912 -30.339 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.321 12.021 -29.220 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.184 12.527 -30.026 1.00 0.00 H new ATOM 144 N GLU A 10 4.819 11.586 -26.424 1.00 0.00 N ATOM 145 CA GLU A 10 6.143 11.125 -26.832 1.00 0.00 C ATOM 146 C GLU A 10 6.576 9.878 -26.063 1.00 0.00 C ATOM 147 O GLU A 10 7.370 9.078 -26.563 1.00 0.00 O ATOM 148 CB GLU A 10 7.182 12.227 -26.628 1.00 0.00 C ATOM 149 CG GLU A 10 6.900 13.489 -27.420 1.00 0.00 C ATOM 150 CD GLU A 10 8.059 14.459 -27.380 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.127 15.275 -26.439 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.913 14.404 -28.289 1.00 0.00 O ATOM 0 H GLU A 10 4.808 12.528 -26.034 1.00 0.00 H new ATOM 0 HA GLU A 10 6.078 10.870 -27.890 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.229 12.477 -25.568 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.163 11.845 -26.909 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.684 13.226 -28.455 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.009 13.974 -27.022 1.00 0.00 H new ATOM 159 N ASP A 11 6.078 9.714 -24.843 1.00 0.00 N ATOM 160 CA ASP A 11 6.513 8.601 -24.008 1.00 0.00 C ATOM 161 C ASP A 11 5.736 7.325 -24.328 1.00 0.00 C ATOM 162 O ASP A 11 6.313 6.237 -24.363 1.00 0.00 O ATOM 163 CB ASP A 11 6.393 8.936 -22.522 1.00 0.00 C ATOM 164 CG ASP A 11 7.132 7.928 -21.662 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.327 7.670 -21.944 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.532 7.399 -20.706 1.00 0.00 O ATOM 0 H ASP A 11 5.384 10.327 -24.415 1.00 0.00 H new ATOM 0 HA ASP A 11 7.565 8.426 -24.234 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.793 9.933 -22.340 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.341 8.957 -22.237 1.00 0.00 H new ATOM 171 N MET A 12 4.434 7.455 -24.568 1.00 0.00 N ATOM 172 CA MET A 12 3.615 6.306 -24.952 1.00 0.00 C ATOM 173 C MET A 12 4.112 5.691 -26.262 1.00 0.00 C ATOM 174 O MET A 12 4.546 6.404 -27.166 1.00 0.00 O ATOM 175 CB MET A 12 2.147 6.713 -25.086 1.00 0.00 C ATOM 176 CG MET A 12 1.508 7.105 -23.767 1.00 0.00 C ATOM 177 SD MET A 12 -0.237 7.520 -23.945 1.00 0.00 S ATOM 178 CE MET A 12 -0.884 5.997 -24.632 1.00 0.00 C ATOM 0 H MET A 12 3.925 8.337 -24.504 1.00 0.00 H new ATOM 0 HA MET A 12 3.702 5.556 -24.166 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.071 7.550 -25.781 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.586 5.886 -25.521 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.613 6.284 -23.058 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.041 7.959 -23.348 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.835 5.759 -24.156 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.035 6.117 -25.705 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.176 5.188 -24.453 1.00 0.00 H new ATOM 188 N THR A 13 4.054 4.369 -26.351 1.00 0.00 N ATOM 189 CA THR A 13 4.568 3.647 -27.508 1.00 0.00 C ATOM 190 C THR A 13 3.574 3.694 -28.668 1.00 0.00 C ATOM 191 O THR A 13 2.414 3.308 -28.522 1.00 0.00 O ATOM 192 CB THR A 13 4.854 2.181 -27.138 1.00 0.00 C ATOM 193 OG1 THR A 13 5.584 2.130 -25.905 1.00 0.00 O ATOM 194 CG2 THR A 13 5.651 1.483 -28.228 1.00 0.00 C ATOM 0 H THR A 13 3.653 3.770 -25.629 1.00 0.00 H new ATOM 0 HA THR A 13 5.494 4.130 -27.820 1.00 0.00 H new ATOM 0 HB THR A 13 3.900 1.666 -27.028 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.764 1.196 -25.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.837 0.449 -27.937 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.086 1.502 -29.160 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.602 1.997 -28.369 1.00 0.00 H new ATOM 202 N PHE A 14 4.032 4.165 -29.818 1.00 0.00 N ATOM 203 CA PHE A 14 3.164 4.336 -30.977 1.00 0.00 C ATOM 204 C PHE A 14 3.017 3.040 -31.771 1.00 0.00 C ATOM 205 O PHE A 14 3.966 2.271 -31.913 1.00 0.00 O ATOM 206 CB PHE A 14 3.699 5.455 -31.883 1.00 0.00 C ATOM 207 CG PHE A 14 5.094 5.223 -32.411 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.205 5.515 -31.634 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.288 4.718 -33.688 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.483 5.304 -32.119 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.563 4.504 -34.178 1.00 0.00 C ATOM 212 CZ PHE A 14 7.663 4.798 -33.392 1.00 0.00 C ATOM 0 H PHE A 14 5.002 4.437 -29.975 1.00 0.00 H new ATOM 0 HA PHE A 14 2.176 4.613 -30.610 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.021 5.576 -32.727 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.686 6.392 -31.327 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.071 5.912 -30.639 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.433 4.489 -34.307 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.340 5.535 -31.503 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.700 4.108 -35.173 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.660 4.632 -33.773 1.00 0.00 H new ATOM 222 N GLU A 15 1.809 2.799 -32.267 1.00 0.00 N ATOM 223 CA GLU A 15 1.551 1.676 -33.151 1.00 0.00 C ATOM 224 C GLU A 15 0.900 2.199 -34.428 1.00 0.00 C ATOM 225 O GLU A 15 -0.321 2.346 -34.503 1.00 0.00 O ATOM 226 CB GLU A 15 0.652 0.641 -32.463 1.00 0.00 C ATOM 227 CG GLU A 15 1.049 -0.808 -32.732 1.00 0.00 C ATOM 228 CD GLU A 15 0.940 -1.202 -34.195 1.00 0.00 C ATOM 229 OE1 GLU A 15 0.078 -0.641 -34.902 1.00 0.00 O ATOM 230 OE2 GLU A 15 1.719 -2.076 -34.640 1.00 0.00 O ATOM 0 H GLU A 15 0.989 3.373 -32.068 1.00 0.00 H new ATOM 0 HA GLU A 15 2.490 1.180 -33.399 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.670 0.818 -31.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.376 0.792 -32.793 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.074 -0.964 -32.397 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.416 -1.467 -32.138 1.00 0.00 H new ATOM 237 N PRO A 16 1.723 2.506 -35.442 1.00 0.00 N ATOM 238 CA PRO A 16 1.269 3.173 -36.670 1.00 0.00 C ATOM 239 C PRO A 16 0.311 2.322 -37.499 1.00 0.00 C ATOM 240 O PRO A 16 -0.526 2.853 -38.228 1.00 0.00 O ATOM 241 CB PRO A 16 2.564 3.423 -37.447 1.00 0.00 C ATOM 242 CG PRO A 16 3.526 2.416 -36.919 1.00 0.00 C ATOM 243 CD PRO A 16 3.170 2.227 -35.473 1.00 0.00 C ATOM 0 HA PRO A 16 0.706 4.078 -36.441 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.412 3.300 -38.519 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.929 4.438 -37.291 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.448 1.477 -37.467 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.554 2.763 -37.026 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.392 1.216 -35.133 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.725 2.909 -34.829 1.00 0.00 H new ATOM 251 N GLU A 17 0.418 1.005 -37.365 1.00 0.00 N ATOM 252 CA GLU A 17 -0.393 0.086 -38.161 1.00 0.00 C ATOM 253 C GLU A 17 -1.855 0.149 -37.742 1.00 0.00 C ATOM 254 O GLU A 17 -2.756 -0.086 -38.547 1.00 0.00 O ATOM 255 CB GLU A 17 0.123 -1.343 -38.013 1.00 0.00 C ATOM 256 CG GLU A 17 1.605 -1.485 -38.307 1.00 0.00 C ATOM 257 CD GLU A 17 2.064 -2.923 -38.267 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.290 -3.453 -37.158 1.00 0.00 O ATOM 259 OE2 GLU A 17 2.207 -3.531 -39.349 1.00 0.00 O ATOM 0 H GLU A 17 1.057 0.548 -36.714 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.316 0.389 -39.205 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.073 -1.688 -36.998 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.437 -1.994 -38.684 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.820 -1.065 -39.290 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.174 -0.904 -37.581 1.00 0.00 H new ATOM 266 N ASN A 18 -2.081 0.474 -36.480 1.00 0.00 N ATOM 267 CA ASN A 18 -3.433 0.580 -35.945 1.00 0.00 C ATOM 268 C ASN A 18 -3.810 2.038 -35.709 1.00 0.00 C ATOM 269 O ASN A 18 -4.891 2.331 -35.198 1.00 0.00 O ATOM 270 CB ASN A 18 -3.552 -0.222 -34.646 1.00 0.00 C ATOM 271 CG ASN A 18 -3.417 -1.716 -34.876 1.00 0.00 C ATOM 272 OD1 ASN A 18 -3.839 -2.237 -35.908 1.00 0.00 O ATOM 273 ND2 ASN A 18 -2.805 -2.415 -33.933 1.00 0.00 N ATOM 0 H ASN A 18 -1.344 0.670 -35.803 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.126 0.166 -36.677 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.783 0.107 -33.947 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.515 -0.014 -34.180 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.670 -3.419 -34.049 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.468 -1.949 -33.090 1.00 0.00 H new ATOM 280 N GLN A 19 -2.913 2.943 -36.107 1.00 0.00 N ATOM 281 CA GLN A 19 -3.137 4.389 -35.987 1.00 0.00 C ATOM 282 C GLN A 19 -3.383 4.786 -34.532 1.00 0.00 C ATOM 283 O GLN A 19 -4.191 5.676 -34.250 1.00 0.00 O ATOM 284 CB GLN A 19 -4.337 4.850 -36.839 1.00 0.00 C ATOM 285 CG GLN A 19 -4.154 4.745 -38.351 1.00 0.00 C ATOM 286 CD GLN A 19 -4.301 3.332 -38.877 1.00 0.00 C ATOM 287 OE1 GLN A 19 -5.409 2.868 -39.154 1.00 0.00 O ATOM 288 NE2 GLN A 19 -3.184 2.656 -39.062 1.00 0.00 N ATOM 0 H GLN A 19 -2.013 2.697 -36.520 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.234 4.878 -36.352 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.209 4.260 -36.555 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.559 5.888 -36.589 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.885 5.386 -38.844 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.167 5.123 -38.617 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.287 3.077 -38.819 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.217 1.712 -39.448 1.00 0.00 H new ATOM 297 N MET A 20 -2.675 4.158 -33.605 1.00 0.00 N ATOM 298 CA MET A 20 -2.933 4.398 -32.196 1.00 0.00 C ATOM 299 C MET A 20 -1.651 4.393 -31.377 1.00 0.00 C ATOM 300 O MET A 20 -0.574 4.062 -31.876 1.00 0.00 O ATOM 301 CB MET A 20 -3.903 3.352 -31.641 1.00 0.00 C ATOM 302 CG MET A 20 -3.330 1.946 -31.577 1.00 0.00 C ATOM 303 SD MET A 20 -4.462 0.780 -30.795 1.00 0.00 S ATOM 304 CE MET A 20 -3.480 -0.714 -30.824 1.00 0.00 C ATOM 0 H MET A 20 -1.930 3.489 -33.799 1.00 0.00 H new ATOM 0 HA MET A 20 -3.382 5.388 -32.116 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.211 3.653 -30.640 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.800 3.339 -32.260 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.099 1.604 -32.586 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.391 1.964 -31.024 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.071 -1.530 -31.241 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.594 -0.555 -31.439 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.175 -0.969 -29.809 1.00 0.00 H new ATOM 314 N PHE A 21 -1.784 4.778 -30.119 1.00 0.00 N ATOM 315 CA PHE A 21 -0.695 4.713 -29.162 1.00 0.00 C ATOM 316 C PHE A 21 -1.052 3.732 -28.057 1.00 0.00 C ATOM 317 O PHE A 21 -2.225 3.573 -27.716 1.00 0.00 O ATOM 318 CB PHE A 21 -0.402 6.093 -28.566 1.00 0.00 C ATOM 319 CG PHE A 21 0.348 7.009 -29.489 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.292 7.628 -30.548 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.700 7.248 -29.295 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.401 8.470 -31.396 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.397 8.088 -30.139 1.00 0.00 C ATOM 324 CZ PHE A 21 1.747 8.700 -31.192 1.00 0.00 C ATOM 0 H PHE A 21 -2.653 5.145 -29.732 1.00 0.00 H new ATOM 0 HA PHE A 21 0.203 4.373 -29.678 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.344 6.565 -28.288 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.174 5.967 -27.649 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.344 7.451 -30.713 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.214 6.771 -28.473 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.110 8.948 -32.218 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.450 8.266 -29.976 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.290 9.357 -31.855 1.00 0.00 H new ATOM 334 N THR A 22 -0.048 3.071 -27.512 1.00 0.00 N ATOM 335 CA THR A 22 -0.262 2.072 -26.482 1.00 0.00 C ATOM 336 C THR A 22 0.752 2.225 -25.359 1.00 0.00 C ATOM 337 O THR A 22 1.738 2.950 -25.493 1.00 0.00 O ATOM 338 CB THR A 22 -0.168 0.642 -27.060 1.00 0.00 C ATOM 339 OG1 THR A 22 1.081 0.474 -27.746 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.315 0.356 -28.018 1.00 0.00 C ATOM 0 H THR A 22 0.930 3.209 -27.768 1.00 0.00 H new ATOM 0 HA THR A 22 -1.265 2.228 -26.086 1.00 0.00 H new ATOM 0 HB THR A 22 -0.231 -0.061 -26.229 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.135 -0.435 -28.109 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.220 -0.658 -28.407 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.263 0.454 -27.490 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.285 1.066 -28.844 1.00 0.00 H new ATOM 348 N TYR A 23 0.501 1.550 -24.251 1.00 0.00 N ATOM 349 CA TYR A 23 1.440 1.519 -23.145 1.00 0.00 C ATOM 350 C TYR A 23 1.406 0.142 -22.496 1.00 0.00 C ATOM 351 O TYR A 23 0.361 -0.292 -22.013 1.00 0.00 O ATOM 352 CB TYR A 23 1.116 2.610 -22.116 1.00 0.00 C ATOM 353 CG TYR A 23 2.102 2.673 -20.968 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.371 3.212 -21.145 1.00 0.00 C ATOM 355 CD2 TYR A 23 1.767 2.191 -19.709 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.277 3.265 -20.102 1.00 0.00 C ATOM 357 CE2 TYR A 23 2.666 2.244 -18.660 1.00 0.00 C ATOM 358 CZ TYR A 23 3.920 2.780 -18.862 1.00 0.00 C ATOM 359 OH TYR A 23 4.821 2.825 -17.819 1.00 0.00 O ATOM 0 H TYR A 23 -0.352 1.013 -24.094 1.00 0.00 H new ATOM 0 HA TYR A 23 2.442 1.715 -23.526 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.094 3.577 -22.619 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.117 2.436 -21.717 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.654 3.596 -22.114 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.787 1.767 -19.547 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.260 3.684 -20.258 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.387 1.867 -17.687 1.00 0.00 H new ATOM 0 HH TYR A 23 4.410 2.444 -17.015 1.00 0.00 H new ATOM 369 N PRO A 24 2.541 -0.571 -22.520 1.00 0.00 N ATOM 370 CA PRO A 24 2.653 -1.924 -21.959 1.00 0.00 C ATOM 371 C PRO A 24 2.272 -1.996 -20.483 1.00 0.00 C ATOM 372 O PRO A 24 2.987 -1.490 -19.613 1.00 0.00 O ATOM 373 CB PRO A 24 4.132 -2.277 -22.143 1.00 0.00 C ATOM 374 CG PRO A 24 4.612 -1.380 -23.231 1.00 0.00 C ATOM 375 CD PRO A 24 3.810 -0.114 -23.113 1.00 0.00 C ATOM 0 HA PRO A 24 1.969 -2.612 -22.456 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.693 -2.116 -21.223 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.257 -3.326 -22.413 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.678 -1.177 -23.127 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.469 -1.842 -24.208 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.308 0.620 -22.480 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.654 0.356 -24.084 1.00 0.00 H new ATOM 383 N CYS A 25 1.141 -2.627 -20.219 1.00 0.00 N ATOM 384 CA CYS A 25 0.646 -2.821 -18.868 1.00 0.00 C ATOM 385 C CYS A 25 0.346 -4.295 -18.638 1.00 0.00 C ATOM 386 O CYS A 25 -0.275 -4.942 -19.479 1.00 0.00 O ATOM 387 CB CYS A 25 -0.613 -1.974 -18.655 1.00 0.00 C ATOM 388 SG CYS A 25 -1.634 -2.454 -17.223 1.00 0.00 S ATOM 0 H CYS A 25 0.537 -3.021 -20.940 1.00 0.00 H new ATOM 0 HA CYS A 25 1.404 -2.505 -18.152 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.316 -0.932 -18.537 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.226 -2.030 -19.554 1.00 0.00 H new ATOM 393 N PRO A 26 0.826 -4.867 -17.528 1.00 0.00 N ATOM 394 CA PRO A 26 0.537 -6.250 -17.189 1.00 0.00 C ATOM 395 C PRO A 26 -0.843 -6.393 -16.557 1.00 0.00 C ATOM 396 O PRO A 26 -1.105 -5.837 -15.488 1.00 0.00 O ATOM 397 CB PRO A 26 1.634 -6.617 -16.173 1.00 0.00 C ATOM 398 CG PRO A 26 2.503 -5.400 -16.040 1.00 0.00 C ATOM 399 CD PRO A 26 1.692 -4.237 -16.534 1.00 0.00 C ATOM 0 HA PRO A 26 0.530 -6.896 -18.067 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.199 -6.892 -15.212 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.213 -7.474 -16.517 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.803 -5.250 -15.003 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.417 -5.511 -16.624 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.120 -3.770 -15.733 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.318 -3.461 -16.973 1.00 0.00 H new ATOM 407 N CYS A 27 -1.696 -7.168 -17.208 1.00 0.00 N ATOM 408 CA CYS A 27 -3.064 -7.396 -16.758 1.00 0.00 C ATOM 409 C CYS A 27 -3.742 -8.344 -17.736 1.00 0.00 C ATOM 410 O CYS A 27 -4.280 -9.388 -17.357 1.00 0.00 O ATOM 411 CB CYS A 27 -3.848 -6.068 -16.665 1.00 0.00 C ATOM 412 SG CYS A 27 -4.073 -5.203 -18.257 1.00 0.00 S ATOM 0 H CYS A 27 -1.459 -7.661 -18.069 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.047 -7.836 -15.761 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.829 -6.270 -16.235 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.329 -5.403 -15.975 1.00 0.00 H new ATOM 417 N GLY A 28 -3.673 -7.975 -19.004 1.00 0.00 N ATOM 418 CA GLY A 28 -4.226 -8.780 -20.068 1.00 0.00 C ATOM 419 C GLY A 28 -4.132 -8.068 -21.398 1.00 0.00 C ATOM 420 O GLY A 28 -4.033 -8.701 -22.451 1.00 0.00 O ATOM 0 H GLY A 28 -3.232 -7.111 -19.319 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.694 -9.730 -20.123 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.269 -9.010 -19.849 1.00 0.00 H new ATOM 424 N ASP A 29 -4.153 -6.745 -21.346 1.00 0.00 N ATOM 425 CA ASP A 29 -4.061 -5.920 -22.541 1.00 0.00 C ATOM 426 C ASP A 29 -3.231 -4.683 -22.232 1.00 0.00 C ATOM 427 O ASP A 29 -2.776 -4.519 -21.105 1.00 0.00 O ATOM 428 CB ASP A 29 -5.447 -5.528 -23.042 1.00 0.00 C ATOM 429 CG ASP A 29 -5.515 -5.491 -24.559 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.985 -4.539 -25.170 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.080 -6.434 -25.151 1.00 0.00 O ATOM 0 H ASP A 29 -4.234 -6.215 -20.478 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.576 -6.492 -23.332 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.183 -6.237 -22.663 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.713 -4.549 -22.643 1.00 0.00 H new ATOM 436 N ARG A 30 -2.975 -3.859 -23.232 1.00 0.00 N ATOM 437 CA ARG A 30 -2.181 -2.658 -23.031 1.00 0.00 C ATOM 438 C ARG A 30 -3.026 -1.416 -23.286 1.00 0.00 C ATOM 439 O ARG A 30 -4.016 -1.480 -24.018 1.00 0.00 O ATOM 440 CB ARG A 30 -0.957 -2.679 -23.952 1.00 0.00 C ATOM 441 CG ARG A 30 -1.299 -2.709 -25.433 1.00 0.00 C ATOM 442 CD ARG A 30 -0.191 -3.369 -26.237 1.00 0.00 C ATOM 443 NE ARG A 30 -0.076 -4.794 -25.922 1.00 0.00 N ATOM 444 CZ ARG A 30 1.061 -5.490 -25.969 1.00 0.00 C ATOM 445 NH1 ARG A 30 2.188 -4.913 -26.375 1.00 0.00 N ATOM 446 NH2 ARG A 30 1.065 -6.772 -25.626 1.00 0.00 N ATOM 0 H ARG A 30 -3.303 -3.997 -24.188 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.837 -2.630 -21.997 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.346 -1.799 -23.748 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.349 -3.551 -23.712 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.233 -3.250 -25.583 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.458 -1.693 -25.793 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.389 -3.245 -27.302 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.756 -2.872 -26.029 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.924 -5.289 -25.647 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.187 -3.932 -26.653 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.054 -5.452 -26.408 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.200 -7.223 -25.327 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.933 -7.307 -25.661 1.00 0.00 H new ATOM 460 N PHE A 31 -2.637 -0.299 -22.669 1.00 0.00 N ATOM 461 CA PHE A 31 -3.338 0.974 -22.854 1.00 0.00 C ATOM 462 C PHE A 31 -3.523 1.273 -24.333 1.00 0.00 C ATOM 463 O PHE A 31 -2.590 1.123 -25.119 1.00 0.00 O ATOM 464 CB PHE A 31 -2.564 2.124 -22.203 1.00 0.00 C ATOM 465 CG PHE A 31 -2.573 2.110 -20.700 1.00 0.00 C ATOM 466 CD1 PHE A 31 -1.651 1.360 -19.990 1.00 0.00 C ATOM 467 CD2 PHE A 31 -3.504 2.859 -19.996 1.00 0.00 C ATOM 468 CE1 PHE A 31 -1.656 1.358 -18.608 1.00 0.00 C ATOM 469 CE2 PHE A 31 -3.515 2.858 -18.617 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.589 2.106 -17.923 1.00 0.00 C ATOM 0 H PHE A 31 -1.839 -0.250 -22.036 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.314 0.885 -22.377 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.531 2.090 -22.548 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.984 3.069 -22.547 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.920 0.770 -20.522 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.230 3.451 -20.535 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.930 0.771 -18.066 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.247 3.444 -18.081 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.596 2.104 -16.843 1.00 0.00 H new ATOM 480 N GLN A 32 -4.718 1.697 -24.709 1.00 0.00 N ATOM 481 CA GLN A 32 -5.020 1.939 -26.106 1.00 0.00 C ATOM 482 C GLN A 32 -5.692 3.297 -26.295 1.00 0.00 C ATOM 483 O GLN A 32 -6.597 3.672 -25.544 1.00 0.00 O ATOM 484 CB GLN A 32 -5.902 0.811 -26.664 1.00 0.00 C ATOM 485 CG GLN A 32 -7.286 0.723 -26.028 1.00 0.00 C ATOM 486 CD GLN A 32 -8.084 -0.485 -26.491 1.00 0.00 C ATOM 487 OE1 GLN A 32 -9.308 -0.425 -26.607 1.00 0.00 O ATOM 488 NE2 GLN A 32 -7.406 -1.601 -26.715 1.00 0.00 N ATOM 0 H GLN A 32 -5.490 1.879 -24.068 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.082 1.952 -26.661 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.017 0.954 -27.738 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.389 -0.140 -26.522 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.178 0.685 -24.944 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.844 1.630 -26.261 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.392 -1.612 -26.608 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.898 -2.450 -26.994 1.00 0.00 H new ATOM 497 N ILE A 33 -5.209 4.044 -27.277 1.00 0.00 N ATOM 498 CA ILE A 33 -5.794 5.325 -27.647 1.00 0.00 C ATOM 499 C ILE A 33 -5.553 5.601 -29.132 1.00 0.00 C ATOM 500 O ILE A 33 -4.420 5.543 -29.609 1.00 0.00 O ATOM 501 CB ILE A 33 -5.220 6.482 -26.792 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.842 7.816 -27.210 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.701 6.537 -26.900 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.356 8.991 -26.396 1.00 0.00 C ATOM 0 H ILE A 33 -4.401 3.779 -27.840 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.866 5.270 -27.457 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.476 6.295 -25.749 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.620 7.997 -28.262 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.926 7.746 -27.120 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.322 7.358 -26.291 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.277 5.597 -26.547 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.416 6.696 -27.940 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.839 9.902 -26.748 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.602 8.833 -25.346 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.276 9.088 -26.505 1.00 0.00 H new ATOM 516 N TYR A 34 -6.621 5.878 -29.866 1.00 0.00 N ATOM 517 CA TYR A 34 -6.514 6.094 -31.303 1.00 0.00 C ATOM 518 C TYR A 34 -6.202 7.551 -31.611 1.00 0.00 C ATOM 519 O TYR A 34 -6.773 8.459 -31.007 1.00 0.00 O ATOM 520 CB TYR A 34 -7.802 5.669 -32.010 1.00 0.00 C ATOM 521 CG TYR A 34 -8.086 4.185 -31.911 1.00 0.00 C ATOM 522 CD1 TYR A 34 -7.523 3.292 -32.816 1.00 0.00 C ATOM 523 CD2 TYR A 34 -8.916 3.679 -30.919 1.00 0.00 C ATOM 524 CE1 TYR A 34 -7.778 1.936 -32.732 1.00 0.00 C ATOM 525 CE2 TYR A 34 -9.176 2.323 -30.827 1.00 0.00 C ATOM 526 CZ TYR A 34 -8.606 1.457 -31.737 1.00 0.00 C ATOM 527 OH TYR A 34 -8.860 0.106 -31.650 1.00 0.00 O ATOM 0 H TYR A 34 -7.567 5.958 -29.493 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.693 5.480 -31.674 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.640 6.220 -31.583 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.739 5.949 -33.062 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.876 3.664 -33.597 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.366 4.355 -30.207 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.332 1.255 -33.441 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.821 1.945 -30.048 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.460 -0.066 -30.895 1.00 0.00 H new ATOM 537 N LEU A 35 -5.303 7.762 -32.565 1.00 0.00 N ATOM 538 CA LEU A 35 -4.882 9.104 -32.946 1.00 0.00 C ATOM 539 C LEU A 35 -6.061 9.874 -33.535 1.00 0.00 C ATOM 540 O LEU A 35 -6.173 11.088 -33.368 1.00 0.00 O ATOM 541 CB LEU A 35 -3.735 9.012 -33.966 1.00 0.00 C ATOM 542 CG LEU A 35 -2.794 10.222 -34.052 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.463 11.409 -34.732 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.304 10.604 -32.667 1.00 0.00 C ATOM 0 H LEU A 35 -4.849 7.015 -33.092 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.529 9.638 -32.064 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.138 8.132 -33.729 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.168 8.846 -34.952 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.938 9.937 -34.664 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.765 12.245 -34.774 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.756 11.131 -35.744 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.347 11.702 -34.166 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.637 11.463 -32.741 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.156 10.859 -32.037 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.766 9.764 -32.227 1.00 0.00 H new ATOM 556 N ASP A 36 -6.955 9.143 -34.191 1.00 0.00 N ATOM 557 CA ASP A 36 -8.118 9.740 -34.845 1.00 0.00 C ATOM 558 C ASP A 36 -9.020 10.436 -33.821 1.00 0.00 C ATOM 559 O ASP A 36 -9.674 11.434 -34.129 1.00 0.00 O ATOM 560 CB ASP A 36 -8.895 8.658 -35.604 1.00 0.00 C ATOM 561 CG ASP A 36 -9.839 9.228 -36.646 1.00 0.00 C ATOM 562 OD1 ASP A 36 -9.404 10.095 -37.434 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.005 8.786 -36.709 1.00 0.00 O ATOM 0 H ASP A 36 -6.897 8.129 -34.285 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.775 10.494 -35.554 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.189 7.985 -36.091 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.466 8.061 -34.892 1.00 0.00 H new ATOM 568 N ASP A 37 -9.019 9.921 -32.592 1.00 0.00 N ATOM 569 CA ASP A 37 -9.785 10.511 -31.496 1.00 0.00 C ATOM 570 C ASP A 37 -9.020 11.674 -30.879 1.00 0.00 C ATOM 571 O ASP A 37 -9.612 12.649 -30.421 1.00 0.00 O ATOM 572 CB ASP A 37 -10.082 9.466 -30.412 1.00 0.00 C ATOM 573 CG ASP A 37 -11.175 8.493 -30.802 1.00 0.00 C ATOM 574 OD1 ASP A 37 -10.983 7.725 -31.770 1.00 0.00 O ATOM 575 OD2 ASP A 37 -12.234 8.486 -30.135 1.00 0.00 O ATOM 0 H ASP A 37 -8.491 9.089 -32.330 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.728 10.874 -31.905 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.170 8.910 -30.194 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.371 9.977 -29.494 1.00 0.00 H new ATOM 580 N MET A 38 -7.696 11.570 -30.880 1.00 0.00 N ATOM 581 CA MET A 38 -6.845 12.618 -30.326 1.00 0.00 C ATOM 582 C MET A 38 -6.936 13.875 -31.182 1.00 0.00 C ATOM 583 O MET A 38 -6.878 14.993 -30.674 1.00 0.00 O ATOM 584 CB MET A 38 -5.393 12.144 -30.236 1.00 0.00 C ATOM 585 CG MET A 38 -5.224 10.873 -29.422 1.00 0.00 C ATOM 586 SD MET A 38 -3.505 10.340 -29.287 1.00 0.00 S ATOM 587 CE MET A 38 -2.829 11.621 -28.235 1.00 0.00 C ATOM 0 H MET A 38 -7.188 10.771 -31.258 1.00 0.00 H new ATOM 0 HA MET A 38 -7.194 12.849 -29.320 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.010 11.976 -31.243 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.787 12.934 -29.792 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.628 11.033 -28.422 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.810 10.076 -29.879 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.898 11.272 -27.789 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.634 12.514 -28.829 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.543 11.858 -27.446 1.00 0.00 H new ATOM 597 N PHE A 39 -7.095 13.670 -32.485 1.00 0.00 N ATOM 598 CA PHE A 39 -7.285 14.765 -33.430 1.00 0.00 C ATOM 599 C PHE A 39 -8.600 15.492 -33.146 1.00 0.00 C ATOM 600 O PHE A 39 -8.761 16.665 -33.475 1.00 0.00 O ATOM 601 CB PHE A 39 -7.274 14.219 -34.865 1.00 0.00 C ATOM 602 CG PHE A 39 -7.472 15.268 -35.925 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.440 16.124 -36.275 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.692 15.395 -36.572 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.622 17.088 -37.250 1.00 0.00 C ATOM 606 CE2 PHE A 39 -8.878 16.358 -37.548 1.00 0.00 C ATOM 607 CZ PHE A 39 -7.842 17.204 -37.886 1.00 0.00 C ATOM 0 H PHE A 39 -7.096 12.745 -32.915 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.468 15.478 -33.316 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.325 13.714 -35.042 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.058 13.468 -34.962 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.483 16.037 -35.781 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.506 14.735 -36.311 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.810 17.750 -37.514 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.833 16.447 -38.045 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.985 17.956 -38.647 1.00 0.00 H new ATOM 617 N GLU A 40 -9.533 14.784 -32.519 1.00 0.00 N ATOM 618 CA GLU A 40 -10.823 15.352 -32.167 1.00 0.00 C ATOM 619 C GLU A 40 -10.708 16.254 -30.942 1.00 0.00 C ATOM 620 O GLU A 40 -11.632 16.999 -30.619 1.00 0.00 O ATOM 621 CB GLU A 40 -11.831 14.237 -31.903 1.00 0.00 C ATOM 622 CG GLU A 40 -12.173 13.423 -33.136 1.00 0.00 C ATOM 623 CD GLU A 40 -13.260 12.410 -32.869 1.00 0.00 C ATOM 624 OE1 GLU A 40 -13.025 11.467 -32.088 1.00 0.00 O ATOM 625 OE2 GLU A 40 -14.357 12.545 -33.449 1.00 0.00 O ATOM 0 H GLU A 40 -9.415 13.809 -32.244 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.169 15.958 -33.005 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.432 13.571 -31.138 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.745 14.673 -31.501 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.492 14.093 -33.934 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.279 12.909 -33.489 1.00 0.00 H new ATOM 632 N GLY A 41 -9.570 16.183 -30.262 1.00 0.00 N ATOM 633 CA GLY A 41 -9.353 17.005 -29.092 1.00 0.00 C ATOM 634 C GLY A 41 -9.418 16.208 -27.807 1.00 0.00 C ATOM 635 O GLY A 41 -9.057 16.705 -26.739 1.00 0.00 O ATOM 0 H GLY A 41 -8.793 15.568 -30.503 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.379 17.489 -29.167 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.102 17.797 -29.064 1.00 0.00 H new ATOM 639 N GLU A 42 -9.884 14.972 -27.898 1.00 0.00 N ATOM 640 CA GLU A 42 -9.967 14.107 -26.732 1.00 0.00 C ATOM 641 C GLU A 42 -8.666 13.333 -26.575 1.00 0.00 C ATOM 642 O GLU A 42 -8.143 12.785 -27.545 1.00 0.00 O ATOM 643 CB GLU A 42 -11.148 13.143 -26.866 1.00 0.00 C ATOM 644 CG GLU A 42 -11.366 12.263 -25.644 1.00 0.00 C ATOM 645 CD GLU A 42 -11.701 13.058 -24.397 1.00 0.00 C ATOM 646 OE1 GLU A 42 -10.764 13.511 -23.704 1.00 0.00 O ATOM 647 OE2 GLU A 42 -12.903 13.229 -24.101 1.00 0.00 O ATOM 0 H GLU A 42 -10.210 14.546 -28.766 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.125 14.720 -25.845 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.055 13.718 -27.054 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.988 12.507 -27.736 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.173 11.560 -25.848 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.468 11.673 -25.462 1.00 0.00 H new ATOM 654 N LYS A 43 -8.135 13.284 -25.362 1.00 0.00 N ATOM 655 CA LYS A 43 -6.861 12.620 -25.143 1.00 0.00 C ATOM 656 C LYS A 43 -6.844 11.865 -23.815 1.00 0.00 C ATOM 657 O LYS A 43 -6.667 12.437 -22.739 1.00 0.00 O ATOM 658 CB LYS A 43 -5.690 13.614 -25.240 1.00 0.00 C ATOM 659 CG LYS A 43 -5.644 14.677 -24.152 1.00 0.00 C ATOM 660 CD LYS A 43 -6.796 15.657 -24.236 1.00 0.00 C ATOM 661 CE LYS A 43 -6.684 16.709 -23.157 1.00 0.00 C ATOM 662 NZ LYS A 43 -6.677 16.116 -21.793 1.00 0.00 N ATOM 0 H LYS A 43 -8.559 13.689 -24.527 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.734 11.883 -25.936 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.756 13.052 -25.215 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.737 14.112 -26.209 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.657 14.192 -23.176 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.703 15.223 -24.224 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.803 16.134 -25.216 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.741 15.124 -24.134 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.770 17.284 -23.306 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.517 17.406 -23.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.787 16.871 -21.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.463 15.441 -21.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.776 15.621 -21.634 1.00 0.00 H new ATOM 676 N VAL A 44 -7.049 10.567 -23.914 1.00 0.00 N ATOM 677 CA VAL A 44 -7.024 9.676 -22.767 1.00 0.00 C ATOM 678 C VAL A 44 -6.980 8.233 -23.248 1.00 0.00 C ATOM 679 O VAL A 44 -7.791 7.823 -24.078 1.00 0.00 O ATOM 680 CB VAL A 44 -8.238 9.903 -21.829 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.516 10.098 -22.629 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.402 8.749 -20.846 1.00 0.00 C ATOM 0 H VAL A 44 -7.239 10.095 -24.798 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.129 9.895 -22.185 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.044 10.812 -21.259 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.352 10.255 -21.947 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.410 10.967 -23.279 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.704 9.212 -23.236 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.261 8.938 -20.203 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.558 7.821 -21.397 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.504 8.661 -20.235 1.00 0.00 H new ATOM 692 N ALA A 45 -6.022 7.476 -22.746 1.00 0.00 N ATOM 693 CA ALA A 45 -5.887 6.088 -23.133 1.00 0.00 C ATOM 694 C ALA A 45 -6.474 5.190 -22.064 1.00 0.00 C ATOM 695 O ALA A 45 -6.352 5.468 -20.869 1.00 0.00 O ATOM 696 CB ALA A 45 -4.432 5.733 -23.382 1.00 0.00 C ATOM 0 H ALA A 45 -5.329 7.800 -22.071 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.435 5.936 -24.063 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.358 4.685 -23.671 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.036 6.359 -24.182 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.856 5.900 -22.472 1.00 0.00 H new ATOM 702 N VAL A 46 -7.129 4.132 -22.494 1.00 0.00 N ATOM 703 CA VAL A 46 -7.695 3.170 -21.575 1.00 0.00 C ATOM 704 C VAL A 46 -7.046 1.825 -21.784 1.00 0.00 C ATOM 705 O VAL A 46 -6.796 1.419 -22.917 1.00 0.00 O ATOM 706 CB VAL A 46 -9.225 3.045 -21.747 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.595 2.629 -23.165 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.818 2.080 -20.723 1.00 0.00 C ATOM 0 H VAL A 46 -7.282 3.917 -23.479 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.502 3.522 -20.562 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.655 4.031 -21.569 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.679 2.551 -23.250 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.229 3.375 -23.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.143 1.663 -23.391 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.896 2.012 -20.869 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.372 1.094 -20.852 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.610 2.444 -19.717 1.00 0.00 H new ATOM 718 N CYS A 47 -6.735 1.162 -20.699 1.00 0.00 N ATOM 719 CA CYS A 47 -6.199 -0.162 -20.783 1.00 0.00 C ATOM 720 C CYS A 47 -7.299 -1.172 -20.524 1.00 0.00 C ATOM 721 O CYS A 47 -7.836 -1.239 -19.423 1.00 0.00 O ATOM 722 CB CYS A 47 -5.062 -0.342 -19.780 1.00 0.00 C ATOM 723 SG CYS A 47 -4.079 -1.852 -20.031 1.00 0.00 S ATOM 0 H CYS A 47 -6.846 1.521 -19.751 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.797 -0.321 -21.784 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.401 0.523 -19.838 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.479 -0.357 -18.773 1.00 0.00 H new ATOM 728 N PRO A 48 -7.687 -1.936 -21.546 1.00 0.00 N ATOM 729 CA PRO A 48 -8.649 -3.009 -21.380 1.00 0.00 C ATOM 730 C PRO A 48 -8.110 -4.079 -20.431 1.00 0.00 C ATOM 731 O PRO A 48 -6.901 -4.184 -20.238 1.00 0.00 O ATOM 732 CB PRO A 48 -8.853 -3.565 -22.795 1.00 0.00 C ATOM 733 CG PRO A 48 -7.711 -3.054 -23.604 1.00 0.00 C ATOM 734 CD PRO A 48 -7.214 -1.807 -22.931 1.00 0.00 C ATOM 0 HA PRO A 48 -9.585 -2.667 -20.939 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.869 -4.655 -22.788 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.805 -3.235 -23.211 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.919 -3.800 -23.666 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.028 -2.840 -24.625 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.127 -1.735 -22.976 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.613 -0.911 -23.407 1.00 0.00 H new ATOM 742 N SER A 49 -9.028 -4.831 -19.828 1.00 0.00 N ATOM 743 CA SER A 49 -8.724 -5.861 -18.835 1.00 0.00 C ATOM 744 C SER A 49 -8.611 -5.261 -17.433 1.00 0.00 C ATOM 745 O SER A 49 -9.326 -5.681 -16.523 1.00 0.00 O ATOM 746 CB SER A 49 -7.468 -6.654 -19.198 1.00 0.00 C ATOM 747 OG SER A 49 -7.593 -7.240 -20.485 1.00 0.00 O ATOM 0 H SER A 49 -10.026 -4.740 -20.020 1.00 0.00 H new ATOM 0 HA SER A 49 -9.558 -6.562 -18.836 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.599 -5.996 -19.176 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.297 -7.433 -18.455 1.00 0.00 H new ATOM 0 HG SER A 49 -6.727 -7.604 -20.764 1.00 0.00 H new ATOM 753 N CYS A 50 -7.743 -4.270 -17.248 1.00 0.00 N ATOM 754 CA CYS A 50 -7.605 -3.650 -15.931 1.00 0.00 C ATOM 755 C CYS A 50 -8.416 -2.351 -15.852 1.00 0.00 C ATOM 756 O CYS A 50 -8.686 -1.844 -14.760 1.00 0.00 O ATOM 757 CB CYS A 50 -6.131 -3.407 -15.583 1.00 0.00 C ATOM 758 SG CYS A 50 -5.337 -2.053 -16.501 1.00 0.00 S ATOM 0 H CYS A 50 -7.137 -3.885 -17.973 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.007 -4.342 -15.191 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.055 -3.196 -14.516 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.574 -4.326 -15.766 1.00 0.00 H new ATOM 763 N SER A 51 -8.789 -1.830 -17.021 1.00 0.00 N ATOM 764 CA SER A 51 -9.694 -0.681 -17.142 1.00 0.00 C ATOM 765 C SER A 51 -9.032 0.624 -16.674 1.00 0.00 C ATOM 766 O SER A 51 -9.717 1.558 -16.250 1.00 0.00 O ATOM 767 CB SER A 51 -10.995 -0.942 -16.364 1.00 0.00 C ATOM 768 OG SER A 51 -11.947 0.085 -16.590 1.00 0.00 O ATOM 0 H SER A 51 -8.471 -2.194 -17.919 1.00 0.00 H new ATOM 0 HA SER A 51 -9.933 -0.559 -18.199 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.415 -1.902 -16.665 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.776 -1.010 -15.298 1.00 0.00 H new ATOM 0 HG SER A 51 -11.506 0.958 -16.534 1.00 0.00 H new ATOM 774 N LEU A 52 -7.716 0.718 -16.818 1.00 0.00 N ATOM 775 CA LEU A 52 -6.977 1.856 -16.305 1.00 0.00 C ATOM 776 C LEU A 52 -6.975 2.972 -17.340 1.00 0.00 C ATOM 777 O LEU A 52 -6.694 2.747 -18.514 1.00 0.00 O ATOM 778 CB LEU A 52 -5.547 1.435 -15.951 1.00 0.00 C ATOM 779 CG LEU A 52 -4.912 2.159 -14.754 1.00 0.00 C ATOM 780 CD1 LEU A 52 -3.593 1.504 -14.385 1.00 0.00 C ATOM 781 CD2 LEU A 52 -4.693 3.634 -15.049 1.00 0.00 C ATOM 0 H LEU A 52 -7.142 0.017 -17.287 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.457 2.224 -15.398 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.544 0.364 -15.747 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.915 1.595 -16.825 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.602 2.081 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.153 2.026 -13.535 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.766 0.461 -14.120 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.912 1.554 -15.234 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.242 4.116 -14.181 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.029 3.739 -15.907 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.650 4.107 -15.270 1.00 0.00 H new ATOM 793 N MET A 53 -7.315 4.165 -16.900 1.00 0.00 N ATOM 794 CA MET A 53 -7.425 5.313 -17.793 1.00 0.00 C ATOM 795 C MET A 53 -6.385 6.368 -17.449 1.00 0.00 C ATOM 796 O MET A 53 -6.167 6.674 -16.275 1.00 0.00 O ATOM 797 CB MET A 53 -8.821 5.916 -17.681 1.00 0.00 C ATOM 798 CG MET A 53 -9.923 4.908 -17.939 1.00 0.00 C ATOM 799 SD MET A 53 -11.498 5.397 -17.210 1.00 0.00 S ATOM 800 CE MET A 53 -11.065 5.422 -15.470 1.00 0.00 C ATOM 0 H MET A 53 -7.523 4.372 -15.923 1.00 0.00 H new ATOM 0 HA MET A 53 -7.250 4.975 -18.814 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.949 6.339 -16.685 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.914 6.738 -18.391 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.049 4.781 -19.014 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.626 3.940 -17.536 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.838 4.911 -14.895 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.111 4.916 -15.325 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.983 6.454 -15.130 1.00 0.00 H new ATOM 810 N ILE A 54 -5.764 6.934 -18.473 1.00 0.00 N ATOM 811 CA ILE A 54 -4.732 7.944 -18.283 1.00 0.00 C ATOM 812 C ILE A 54 -4.833 9.035 -19.347 1.00 0.00 C ATOM 813 O ILE A 54 -5.191 8.764 -20.490 1.00 0.00 O ATOM 814 CB ILE A 54 -3.310 7.315 -18.268 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.073 6.398 -19.475 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.106 6.531 -16.984 1.00 0.00 C ATOM 817 CD1 ILE A 54 -2.629 7.111 -20.732 1.00 0.00 C ATOM 0 H ILE A 54 -5.958 6.710 -19.449 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.899 8.402 -17.308 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.590 8.131 -18.325 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.320 5.657 -19.209 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.994 5.855 -19.688 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.108 6.093 -16.980 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.213 7.199 -16.129 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.851 5.738 -16.920 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.486 6.384 -21.531 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.390 7.832 -21.029 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.690 7.631 -20.543 1.00 0.00 H new ATOM 829 N ASP A 55 -4.545 10.266 -18.953 1.00 0.00 N ATOM 830 CA ASP A 55 -4.637 11.413 -19.856 1.00 0.00 C ATOM 831 C ASP A 55 -3.344 11.520 -20.657 1.00 0.00 C ATOM 832 O ASP A 55 -2.299 11.035 -20.213 1.00 0.00 O ATOM 833 CB ASP A 55 -4.859 12.695 -19.047 1.00 0.00 C ATOM 834 CG ASP A 55 -5.559 13.789 -19.832 1.00 0.00 C ATOM 835 OD1 ASP A 55 -5.066 14.183 -20.907 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.629 14.254 -19.375 1.00 0.00 O ATOM 0 H ASP A 55 -4.243 10.502 -18.008 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.478 11.278 -20.537 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.449 12.459 -18.161 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.896 13.067 -18.699 1.00 0.00 H new ATOM 841 N VAL A 56 -3.392 12.147 -21.825 1.00 0.00 N ATOM 842 CA VAL A 56 -2.217 12.189 -22.697 1.00 0.00 C ATOM 843 C VAL A 56 -1.928 13.604 -23.205 1.00 0.00 C ATOM 844 O VAL A 56 -2.780 14.245 -23.808 1.00 0.00 O ATOM 845 CB VAL A 56 -2.386 11.247 -23.908 1.00 0.00 C ATOM 846 CG1 VAL A 56 -1.128 11.225 -24.765 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.754 9.839 -23.459 1.00 0.00 C ATOM 0 H VAL A 56 -4.215 12.627 -22.190 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.374 11.857 -22.091 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.204 11.634 -24.516 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.276 10.553 -25.611 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.920 12.230 -25.132 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.286 10.876 -24.167 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.867 9.196 -24.332 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.966 9.444 -22.817 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.693 9.867 -22.906 1.00 0.00 H new ATOM 857 N VAL A 57 -0.711 14.078 -22.982 1.00 0.00 N ATOM 858 CA VAL A 57 -0.301 15.395 -23.449 1.00 0.00 C ATOM 859 C VAL A 57 0.270 15.290 -24.860 1.00 0.00 C ATOM 860 O VAL A 57 1.418 14.884 -25.044 1.00 0.00 O ATOM 861 CB VAL A 57 0.758 16.027 -22.524 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.031 17.473 -22.920 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.322 15.934 -21.072 1.00 0.00 C ATOM 0 H VAL A 57 0.014 13.567 -22.478 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.185 16.033 -23.444 1.00 0.00 H new ATOM 0 HB VAL A 57 1.687 15.469 -22.636 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.781 17.897 -22.253 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.397 17.506 -23.946 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.110 18.051 -22.845 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.082 16.385 -20.434 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.622 16.463 -20.941 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.193 14.887 -20.797 1.00 0.00 H new ATOM 873 N PHE A 58 -0.540 15.627 -25.851 1.00 0.00 N ATOM 874 CA PHE A 58 -0.120 15.546 -27.243 1.00 0.00 C ATOM 875 C PHE A 58 0.411 16.889 -27.728 1.00 0.00 C ATOM 876 O PHE A 58 0.124 17.928 -27.135 1.00 0.00 O ATOM 877 CB PHE A 58 -1.286 15.089 -28.130 1.00 0.00 C ATOM 878 CG PHE A 58 -2.492 15.995 -28.082 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.587 17.094 -28.922 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.529 15.744 -27.198 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.692 17.923 -28.882 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.637 16.570 -27.154 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.718 17.660 -27.996 1.00 0.00 C ATOM 0 H PHE A 58 -1.495 15.960 -25.718 1.00 0.00 H new ATOM 0 HA PHE A 58 0.683 14.812 -27.311 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.938 15.020 -29.161 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.587 14.086 -27.827 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.787 17.305 -29.616 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.471 14.893 -26.535 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.753 18.775 -29.543 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.439 16.362 -26.461 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.582 18.306 -27.962 1.00 0.00 H new ATOM 893 N ASP A 59 1.182 16.869 -28.806 1.00 0.00 N ATOM 894 CA ASP A 59 1.684 18.102 -29.394 1.00 0.00 C ATOM 895 C ASP A 59 1.128 18.289 -30.790 1.00 0.00 C ATOM 896 O ASP A 59 0.838 17.320 -31.488 1.00 0.00 O ATOM 897 CB ASP A 59 3.212 18.120 -29.462 1.00 0.00 C ATOM 898 CG ASP A 59 3.739 19.379 -30.124 1.00 0.00 C ATOM 899 OD1 ASP A 59 3.398 20.494 -29.664 1.00 0.00 O ATOM 900 OD2 ASP A 59 4.457 19.260 -31.134 1.00 0.00 O ATOM 0 H ASP A 59 1.472 16.018 -29.288 1.00 0.00 H new ATOM 0 HA ASP A 59 1.355 18.918 -28.750 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.620 18.043 -28.454 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.560 17.247 -30.015 1.00 0.00 H new ATOM 905 N LYS A 60 1.012 19.545 -31.181 1.00 0.00 N ATOM 906 CA LYS A 60 0.527 19.921 -32.499 1.00 0.00 C ATOM 907 C LYS A 60 1.409 19.310 -33.575 1.00 0.00 C ATOM 908 O LYS A 60 0.929 18.721 -34.545 1.00 0.00 O ATOM 909 CB LYS A 60 0.575 21.444 -32.636 1.00 0.00 C ATOM 910 CG LYS A 60 0.036 22.202 -31.432 1.00 0.00 C ATOM 911 CD LYS A 60 0.435 23.671 -31.475 1.00 0.00 C ATOM 912 CE LYS A 60 1.944 23.857 -31.600 1.00 0.00 C ATOM 913 NZ LYS A 60 2.696 23.241 -30.471 1.00 0.00 N ATOM 0 H LYS A 60 1.253 20.340 -30.589 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.494 19.559 -32.617 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.607 21.748 -32.809 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.005 21.735 -33.518 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.051 22.119 -31.405 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.413 21.748 -30.516 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.060 24.155 -32.317 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.084 24.167 -30.570 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.283 23.419 -32.539 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.172 24.922 -31.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.665 23.617 -30.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.221 23.466 -29.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.728 22.209 -30.597 1.00 0.00 H new ATOM 927 N GLU A 61 2.706 19.441 -33.370 1.00 0.00 N ATOM 928 CA GLU A 61 3.685 19.019 -34.353 1.00 0.00 C ATOM 929 C GLU A 61 3.916 17.518 -34.259 1.00 0.00 C ATOM 930 O GLU A 61 4.182 16.858 -35.266 1.00 0.00 O ATOM 931 CB GLU A 61 4.988 19.783 -34.135 1.00 0.00 C ATOM 932 CG GLU A 61 4.809 21.292 -34.153 1.00 0.00 C ATOM 933 CD GLU A 61 6.041 22.028 -33.678 1.00 0.00 C ATOM 934 OE1 GLU A 61 7.094 21.911 -34.338 1.00 0.00 O ATOM 935 OE2 GLU A 61 5.964 22.733 -32.651 1.00 0.00 O ATOM 0 H GLU A 61 3.109 19.841 -32.522 1.00 0.00 H new ATOM 0 HA GLU A 61 3.311 19.240 -35.353 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.420 19.486 -33.179 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.702 19.499 -34.909 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.566 21.613 -35.166 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.963 21.562 -33.521 1.00 0.00 H new ATOM 942 N ASP A 62 3.800 16.982 -33.047 1.00 0.00 N ATOM 943 CA ASP A 62 3.942 15.547 -32.838 1.00 0.00 C ATOM 944 C ASP A 62 2.824 14.793 -33.556 1.00 0.00 C ATOM 945 O ASP A 62 3.073 13.783 -34.219 1.00 0.00 O ATOM 946 CB ASP A 62 3.930 15.212 -31.345 1.00 0.00 C ATOM 947 CG ASP A 62 4.261 13.754 -31.080 1.00 0.00 C ATOM 948 OD1 ASP A 62 3.343 12.913 -31.128 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.445 13.442 -30.832 1.00 0.00 O ATOM 0 H ASP A 62 3.609 17.517 -32.200 1.00 0.00 H new ATOM 0 HA ASP A 62 4.901 15.235 -33.253 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.650 15.846 -30.827 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.948 15.441 -30.931 1.00 0.00 H new ATOM 954 N LEU A 63 1.592 15.299 -33.444 1.00 0.00 N ATOM 955 CA LEU A 63 0.455 14.690 -34.130 1.00 0.00 C ATOM 956 C LEU A 63 0.669 14.715 -35.635 1.00 0.00 C ATOM 957 O LEU A 63 0.477 13.708 -36.316 1.00 0.00 O ATOM 958 CB LEU A 63 -0.853 15.418 -33.795 1.00 0.00 C ATOM 959 CG LEU A 63 -1.292 15.373 -32.332 1.00 0.00 C ATOM 960 CD1 LEU A 63 -2.670 15.999 -32.176 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.295 13.946 -31.811 1.00 0.00 C ATOM 0 H LEU A 63 1.360 16.123 -32.889 1.00 0.00 H new ATOM 0 HA LEU A 63 0.380 13.658 -33.787 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.750 16.462 -34.090 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.649 14.991 -34.405 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.577 15.947 -31.742 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.971 15.960 -31.129 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.637 17.037 -32.506 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.390 15.448 -32.781 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.611 13.940 -30.768 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.985 13.344 -32.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.291 13.528 -31.888 1.00 0.00 H new ATOM 973 N ALA A 64 1.071 15.873 -36.151 1.00 0.00 N ATOM 974 CA ALA A 64 1.348 16.026 -37.577 1.00 0.00 C ATOM 975 C ALA A 64 2.392 15.013 -38.049 1.00 0.00 C ATOM 976 O ALA A 64 2.242 14.396 -39.105 1.00 0.00 O ATOM 977 CB ALA A 64 1.811 17.444 -37.872 1.00 0.00 C ATOM 0 H ALA A 64 1.213 16.721 -35.602 1.00 0.00 H new ATOM 0 HA ALA A 64 0.425 15.835 -38.125 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.014 17.546 -38.938 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.032 18.149 -37.582 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.719 17.655 -37.307 1.00 0.00 H new ATOM 983 N GLU A 65 3.435 14.836 -37.248 1.00 0.00 N ATOM 984 CA GLU A 65 4.505 13.899 -37.571 1.00 0.00 C ATOM 985 C GLU A 65 3.970 12.468 -37.631 1.00 0.00 C ATOM 986 O GLU A 65 4.275 11.710 -38.557 1.00 0.00 O ATOM 987 CB GLU A 65 5.621 13.997 -36.526 1.00 0.00 C ATOM 988 CG GLU A 65 6.889 13.252 -36.905 1.00 0.00 C ATOM 989 CD GLU A 65 7.604 13.893 -38.074 1.00 0.00 C ATOM 990 OE1 GLU A 65 7.133 13.747 -39.219 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.634 14.558 -37.848 1.00 0.00 O ATOM 0 H GLU A 65 3.563 15.331 -36.366 1.00 0.00 H new ATOM 0 HA GLU A 65 4.907 14.159 -38.550 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.863 15.048 -36.366 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.252 13.606 -35.578 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.559 13.219 -36.046 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.641 12.221 -37.155 1.00 0.00 H new ATOM 998 N TYR A 66 3.155 12.112 -36.644 1.00 0.00 N ATOM 999 CA TYR A 66 2.603 10.764 -36.548 1.00 0.00 C ATOM 1000 C TYR A 66 1.570 10.515 -37.643 1.00 0.00 C ATOM 1001 O TYR A 66 1.453 9.402 -38.159 1.00 0.00 O ATOM 1002 CB TYR A 66 1.976 10.534 -35.173 1.00 0.00 C ATOM 1003 CG TYR A 66 1.425 9.136 -34.993 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.260 8.077 -34.664 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.073 8.877 -35.164 1.00 0.00 C ATOM 1006 CE1 TYR A 66 1.761 6.799 -34.505 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.435 7.602 -35.006 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.414 6.567 -34.676 1.00 0.00 C ATOM 1009 OH TYR A 66 -0.088 5.298 -34.523 1.00 0.00 O ATOM 0 H TYR A 66 2.861 12.740 -35.896 1.00 0.00 H new ATOM 0 HA TYR A 66 3.423 10.059 -36.682 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.724 10.724 -34.404 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.173 11.256 -35.022 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.317 8.255 -34.530 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.594 9.686 -35.425 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.423 5.986 -34.248 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.491 7.417 -35.140 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.168 5.091 -33.569 1.00 0.00 H new ATOM 1019 N TYR A 67 0.817 11.551 -37.986 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.187 11.455 -39.039 1.00 0.00 C ATOM 1021 C TYR A 67 0.453 10.987 -40.346 1.00 0.00 C ATOM 1022 O TYR A 67 -0.091 10.127 -41.041 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.913 12.805 -39.197 1.00 0.00 C ATOM 1024 CG TYR A 67 -0.971 13.363 -40.608 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -1.795 12.802 -41.579 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -0.202 14.463 -40.959 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -1.839 13.320 -42.860 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -0.241 14.987 -42.235 1.00 0.00 C ATOM 1029 CZ TYR A 67 -1.060 14.414 -43.181 1.00 0.00 C ATOM 1030 OH TYR A 67 -1.094 14.934 -44.452 1.00 0.00 O ATOM 0 H TYR A 67 0.882 12.471 -37.549 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.933 10.710 -38.763 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.933 12.693 -38.829 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.421 13.538 -38.557 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.409 11.950 -41.328 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.440 14.918 -40.219 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.479 12.872 -43.605 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.368 15.842 -42.490 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.487 15.702 -44.508 1.00 0.00 H new ATOM 1040 N GLU A 68 1.616 11.539 -40.661 1.00 0.00 N ATOM 1041 CA GLU A 68 2.355 11.130 -41.852 1.00 0.00 C ATOM 1042 C GLU A 68 3.023 9.772 -41.645 1.00 0.00 C ATOM 1043 O GLU A 68 3.196 9.007 -42.590 1.00 0.00 O ATOM 1044 CB GLU A 68 3.400 12.181 -42.225 1.00 0.00 C ATOM 1045 CG GLU A 68 2.791 13.500 -42.665 1.00 0.00 C ATOM 1046 CD GLU A 68 3.817 14.472 -43.205 1.00 0.00 C ATOM 1047 OE1 GLU A 68 4.493 15.138 -42.399 1.00 0.00 O ATOM 1048 OE2 GLU A 68 3.945 14.582 -44.445 1.00 0.00 O ATOM 0 H GLU A 68 2.069 12.269 -40.112 1.00 0.00 H new ATOM 0 HA GLU A 68 1.642 11.039 -42.672 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.051 12.357 -41.369 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.027 11.792 -43.027 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.040 13.310 -43.432 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.276 13.956 -41.820 1.00 0.00 H new ATOM 1055 N GLU A 69 3.382 9.480 -40.400 1.00 0.00 N ATOM 1056 CA GLU A 69 4.006 8.222 -40.041 1.00 0.00 C ATOM 1057 C GLU A 69 3.060 7.055 -40.301 1.00 0.00 C ATOM 1058 O GLU A 69 3.374 6.134 -41.054 1.00 0.00 O ATOM 1059 CB GLU A 69 4.378 8.272 -38.563 1.00 0.00 C ATOM 1060 CG GLU A 69 5.113 7.049 -38.067 1.00 0.00 C ATOM 1061 CD GLU A 69 6.389 6.785 -38.834 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.245 7.692 -38.901 1.00 0.00 O ATOM 1063 OE2 GLU A 69 6.533 5.681 -39.395 1.00 0.00 O ATOM 0 H GLU A 69 3.246 10.114 -39.613 1.00 0.00 H new ATOM 0 HA GLU A 69 4.898 8.073 -40.650 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.998 9.151 -38.385 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.469 8.399 -37.975 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.348 7.175 -37.010 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.460 6.180 -38.146 1.00 0.00 H new ATOM 1070 N ALA A 70 1.899 7.113 -39.668 1.00 0.00 N ATOM 1071 CA ALA A 70 0.899 6.060 -39.798 1.00 0.00 C ATOM 1072 C ALA A 70 0.208 6.104 -41.159 1.00 0.00 C ATOM 1073 O ALA A 70 -0.293 5.089 -41.642 1.00 0.00 O ATOM 1074 CB ALA A 70 -0.128 6.173 -38.683 1.00 0.00 C ATOM 0 H ALA A 70 1.623 7.881 -39.056 1.00 0.00 H new ATOM 0 HA ALA A 70 1.412 5.102 -39.718 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.870 5.382 -38.790 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.370 6.075 -37.718 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.622 7.143 -38.740 1.00 0.00 H new ATOM 1080 N GLY A 71 0.184 7.279 -41.771 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.468 7.433 -43.055 1.00 0.00 C ATOM 1082 C GLY A 71 -1.958 7.653 -42.901 1.00 0.00 C ATOM 1083 O GLY A 71 -2.768 6.974 -43.537 1.00 0.00 O ATOM 0 H GLY A 71 0.606 8.131 -41.400 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.028 8.276 -43.588 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.292 6.545 -43.662 1.00 0.00 H new ATOM 1087 N ILE A 72 -2.319 8.593 -42.041 1.00 0.00 N ATOM 1088 CA ILE A 72 -3.717 8.883 -41.762 1.00 0.00 C ATOM 1089 C ILE A 72 -4.266 9.839 -42.827 1.00 0.00 C ATOM 1090 O ILE A 72 -3.568 10.166 -43.788 1.00 0.00 O ATOM 1091 CB ILE A 72 -3.878 9.493 -40.346 1.00 0.00 C ATOM 1092 CG1 ILE A 72 -2.917 8.810 -39.367 1.00 0.00 C ATOM 1093 CG2 ILE A 72 -5.309 9.340 -39.846 1.00 0.00 C ATOM 1094 CD1 ILE A 72 -2.967 9.372 -37.961 1.00 0.00 C ATOM 0 H ILE A 72 -1.659 9.171 -41.521 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.284 7.953 -41.793 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.642 10.556 -40.407 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.148 7.745 -39.330 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.900 8.902 -39.748 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.395 9.776 -38.851 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.989 9.852 -40.527 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.568 8.282 -39.802 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.259 8.836 -37.329 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.706 10.430 -37.983 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.973 9.255 -37.558 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.507 10.273 -42.671 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.139 11.147 -43.651 1.00 0.00 C ATOM 1108 C HIS A 73 -5.611 12.569 -43.515 1.00 0.00 C ATOM 1109 O HIS A 73 -5.565 13.116 -42.415 1.00 0.00 O ATOM 1110 CB HIS A 73 -7.660 11.123 -43.493 1.00 0.00 C ATOM 1111 CG HIS A 73 -8.247 9.758 -43.663 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -8.767 9.030 -42.622 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -8.358 8.973 -44.760 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -9.174 7.858 -43.066 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -8.937 7.792 -44.363 1.00 0.00 N ATOM 0 H HIS A 73 -6.098 10.035 -41.875 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.892 10.780 -44.647 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.923 11.504 -42.506 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.106 11.797 -44.224 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -8.048 9.228 -45.763 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.626 7.081 -42.468 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.148 6.998 -44.968 1.00 0.00 H new ATOM 1124 N PRO A 74 -5.193 13.173 -44.637 1.00 0.00 N ATOM 1125 CA PRO A 74 -4.595 14.513 -44.648 1.00 0.00 C ATOM 1126 C PRO A 74 -5.571 15.610 -44.224 1.00 0.00 C ATOM 1127 O PRO A 74 -6.583 15.856 -44.887 1.00 0.00 O ATOM 1128 CB PRO A 74 -4.172 14.705 -46.108 1.00 0.00 C ATOM 1129 CG PRO A 74 -5.024 13.766 -46.888 1.00 0.00 C ATOM 1130 CD PRO A 74 -5.269 12.591 -45.988 1.00 0.00 C ATOM 0 HA PRO A 74 -3.774 14.588 -43.935 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.325 15.735 -46.430 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.114 14.482 -46.244 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.962 14.239 -47.178 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.525 13.457 -47.807 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.242 12.137 -46.176 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.521 11.812 -46.132 1.00 0.00 H new ATOM 1138 N PRO A 75 -5.277 16.282 -43.104 1.00 0.00 N ATOM 1139 CA PRO A 75 -6.064 17.393 -42.604 1.00 0.00 C ATOM 1140 C PRO A 75 -5.578 18.724 -43.166 1.00 0.00 C ATOM 1141 O PRO A 75 -4.484 18.808 -43.730 1.00 0.00 O ATOM 1142 CB PRO A 75 -5.839 17.335 -41.088 1.00 0.00 C ATOM 1143 CG PRO A 75 -4.631 16.469 -40.869 1.00 0.00 C ATOM 1144 CD PRO A 75 -4.140 16.012 -42.220 1.00 0.00 C ATOM 0 HA PRO A 75 -7.113 17.321 -42.890 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.679 18.333 -40.681 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.711 16.920 -40.582 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.852 17.025 -40.348 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.883 15.612 -40.244 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.251 16.560 -42.531 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.877 14.954 -42.215 1.00 0.00 H new ATOM 1152 N GLU A 76 -6.396 19.755 -43.038 1.00 0.00 N ATOM 1153 CA GLU A 76 -6.008 21.088 -43.465 1.00 0.00 C ATOM 1154 C GLU A 76 -5.025 21.678 -42.458 1.00 0.00 C ATOM 1155 O GLU A 76 -5.000 21.256 -41.300 1.00 0.00 O ATOM 1156 CB GLU A 76 -7.236 21.997 -43.612 1.00 0.00 C ATOM 1157 CG GLU A 76 -8.128 22.053 -42.378 1.00 0.00 C ATOM 1158 CD GLU A 76 -9.171 20.951 -42.348 1.00 0.00 C ATOM 1159 OE1 GLU A 76 -8.861 19.830 -41.895 1.00 0.00 O ATOM 1160 OE2 GLU A 76 -10.316 21.206 -42.776 1.00 0.00 O ATOM 0 H GLU A 76 -7.334 19.694 -42.641 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.527 21.018 -44.441 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.900 23.006 -43.848 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.829 21.652 -44.459 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.507 21.982 -41.485 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.629 23.020 -42.342 1.00 0.00 H new ATOM 1167 N PRO A 77 -4.184 22.636 -42.890 1.00 0.00 N ATOM 1168 CA PRO A 77 -3.172 23.251 -42.022 1.00 0.00 C ATOM 1169 C PRO A 77 -3.768 23.827 -40.741 1.00 0.00 C ATOM 1170 O PRO A 77 -4.846 24.430 -40.752 1.00 0.00 O ATOM 1171 CB PRO A 77 -2.567 24.367 -42.884 1.00 0.00 C ATOM 1172 CG PRO A 77 -3.501 24.533 -44.037 1.00 0.00 C ATOM 1173 CD PRO A 77 -4.142 23.194 -44.248 1.00 0.00 C ATOM 0 HA PRO A 77 -2.439 22.517 -41.687 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.475 25.294 -42.318 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.567 24.101 -43.225 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.251 25.295 -43.825 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.965 24.854 -44.930 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.139 23.286 -44.678 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.559 22.569 -44.924 1.00 0.00 H new ATOM 1181 N ILE A 78 -3.052 23.641 -39.642 1.00 0.00 N ATOM 1182 CA ILE A 78 -3.531 24.047 -38.330 1.00 0.00 C ATOM 1183 C ILE A 78 -3.090 25.467 -37.993 1.00 0.00 C ATOM 1184 O ILE A 78 -2.067 25.949 -38.487 1.00 0.00 O ATOM 1185 CB ILE A 78 -3.039 23.085 -37.226 1.00 0.00 C ATOM 1186 CG1 ILE A 78 -1.505 22.988 -37.240 1.00 0.00 C ATOM 1187 CG2 ILE A 78 -3.669 21.711 -37.410 1.00 0.00 C ATOM 1188 CD1 ILE A 78 -0.932 22.148 -36.116 1.00 0.00 C ATOM 0 H ILE A 78 -2.129 23.207 -39.634 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.620 24.013 -38.369 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.344 23.478 -36.256 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.186 22.567 -38.194 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.087 23.993 -37.179 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.315 21.041 -36.627 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.754 21.797 -37.351 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.389 21.310 -38.384 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.155 22.128 -36.194 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.219 22.579 -35.157 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.320 21.132 -36.187 1.00 0.00 H new ATOM 1200 N ALA A 79 -3.861 26.126 -37.143 1.00 0.00 N ATOM 1201 CA ALA A 79 -3.559 27.486 -36.731 1.00 0.00 C ATOM 1202 C ALA A 79 -2.577 27.485 -35.568 1.00 0.00 C ATOM 1203 O ALA A 79 -2.966 27.591 -34.404 1.00 0.00 O ATOM 1204 CB ALA A 79 -4.836 28.224 -36.361 1.00 0.00 C ATOM 0 H ALA A 79 -4.706 25.738 -36.723 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.094 28.008 -37.567 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.593 29.241 -36.055 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.502 28.254 -37.224 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.330 27.706 -35.539 1.00 0.00 H new ATOM 1210 N ALA A 80 -1.306 27.315 -35.897 1.00 0.00 N ATOM 1211 CA ALA A 80 -0.244 27.292 -34.898 1.00 0.00 C ATOM 1212 C ALA A 80 1.052 27.824 -35.493 1.00 0.00 C ATOM 1213 O ALA A 80 2.147 27.439 -35.084 1.00 0.00 O ATOM 1214 CB ALA A 80 -0.051 25.876 -34.376 1.00 0.00 C ATOM 0 H ALA A 80 -0.981 27.190 -36.856 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.528 27.935 -34.065 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.744 25.868 -33.630 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.978 25.526 -33.922 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.219 25.218 -35.202 1.00 0.00 H new ATOM 1220 N ALA A 81 0.922 28.724 -36.454 1.00 0.00 N ATOM 1221 CA ALA A 81 2.082 29.265 -37.150 1.00 0.00 C ATOM 1222 C ALA A 81 2.526 30.587 -36.536 1.00 0.00 C ATOM 1223 O ALA A 81 3.585 31.118 -36.878 1.00 0.00 O ATOM 1224 CB ALA A 81 1.771 29.441 -38.628 1.00 0.00 C ATOM 0 H ALA A 81 0.027 29.096 -36.771 1.00 0.00 H new ATOM 0 HA ALA A 81 2.903 28.556 -37.044 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.645 29.846 -39.138 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.512 28.476 -39.063 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.933 30.128 -38.744 1.00 0.00 H new ATOM 1230 N ALA A 82 1.712 31.109 -35.632 1.00 0.00 N ATOM 1231 CA ALA A 82 2.002 32.373 -34.980 1.00 0.00 C ATOM 1232 C ALA A 82 1.603 32.310 -33.513 1.00 0.00 C ATOM 1233 O ALA A 82 0.395 32.441 -33.217 1.00 0.00 O ATOM 1234 CB ALA A 82 1.274 33.509 -35.679 1.00 0.00 C ATOM 1235 OXT ALA A 82 2.490 32.123 -32.661 1.00 0.00 O ATOM 0 H ALA A 82 0.840 30.672 -35.333 1.00 0.00 H new ATOM 0 HA ALA A 82 3.074 32.561 -35.043 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.502 34.450 -35.178 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.598 33.564 -36.718 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.199 33.330 -35.643 1.00 0.00 H new TER 1241 ALA A 82 HETATM 1242 ZN ZN A 83 -3.778 -2.909 -17.995 1.00 0.00 ZN