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 X(o=0,f=-0.027) USER MOD Set 1.2: A 20 MET CE :methyl -148:sc= 0 (180deg=-0.0914) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0818 (180deg=-0.48) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.175) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00681 USER MOD Single : A 3 THR OG1 : rot 46:sc= 0.0967 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -114:sc= -0.987 (180deg=-2.73) USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.0403 USER MOD Single : A 19 GLN : amide:sc= 1.27 K(o=1.3,f=-0.096) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 46:sc= 1.22 USER MOD Single : A 32 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.0032) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 162:sc= -0.143 (180deg=-1.77) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -59:sc= 0.381 USER MOD Single : A 53 MET CE :methyl -152:sc= -0.273 (180deg=-1.07) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.554) USER MOD Single : A 66 TYR OH : rot 129:sc= 0.346 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 -10.341 5.912 -9.914 1.00 0.00 N ATOM 2 CA MET A 1 -11.610 6.391 -10.465 1.00 0.00 C ATOM 3 C MET A 1 -11.465 6.828 -11.920 1.00 0.00 C ATOM 4 O MET A 1 -11.545 6.012 -12.838 1.00 0.00 O ATOM 5 CB MET A 1 -12.187 7.535 -9.617 1.00 0.00 C ATOM 6 CG MET A 1 -12.523 7.132 -8.191 1.00 0.00 C ATOM 7 SD MET A 1 -13.805 5.867 -8.105 1.00 0.00 S ATOM 8 CE MET A 1 -15.208 6.765 -8.765 1.00 0.00 C ATOM 0 H1 MET A 1 -10.512 5.454 -8.996 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.915 5.226 -10.569 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.694 6.715 -9.784 1.00 0.00 H new ATOM 0 HA MET A 1 -12.307 5.554 -10.435 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.469 8.355 -9.593 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.088 7.914 -10.100 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.622 6.763 -7.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.850 8.012 -7.637 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.130 6.253 -8.490 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.218 7.775 -8.356 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.130 6.814 -9.851 1.00 0.00 H new ATOM 18 N SER A 2 -11.221 8.105 -12.110 1.00 0.00 N ATOM 19 CA SER A 2 -11.118 8.692 -13.433 1.00 0.00 C ATOM 20 C SER A 2 -9.652 8.918 -13.808 1.00 0.00 C ATOM 21 O SER A 2 -8.759 8.249 -13.281 1.00 0.00 O ATOM 22 CB SER A 2 -11.912 10.003 -13.451 1.00 0.00 C ATOM 23 OG SER A 2 -11.600 10.798 -12.322 1.00 0.00 O ATOM 0 H SER A 2 -11.087 8.771 -11.349 1.00 0.00 H new ATOM 0 HA SER A 2 -11.537 8.013 -14.176 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.688 10.556 -14.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.980 9.786 -13.464 1.00 0.00 H new ATOM 0 HG SER A 2 -12.117 11.630 -12.355 1.00 0.00 H new ATOM 29 N THR A 3 -9.416 9.825 -14.744 1.00 0.00 N ATOM 30 CA THR A 3 -8.072 10.178 -15.158 1.00 0.00 C ATOM 31 C THR A 3 -7.305 10.860 -14.027 1.00 0.00 C ATOM 32 O THR A 3 -7.627 11.979 -13.628 1.00 0.00 O ATOM 33 CB THR A 3 -8.119 11.107 -16.377 1.00 0.00 C ATOM 34 OG1 THR A 3 -9.157 12.081 -16.200 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.360 10.314 -17.651 1.00 0.00 C ATOM 0 H THR A 3 -10.151 10.334 -15.235 1.00 0.00 H new ATOM 0 HA THR A 3 -7.553 9.256 -15.421 1.00 0.00 H new ATOM 0 HB THR A 3 -7.158 11.613 -16.467 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.102 12.457 -15.297 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.390 10.994 -18.503 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.554 9.594 -17.789 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.310 9.785 -17.576 1.00 0.00 H new ATOM 43 N TYR A 4 -6.299 10.174 -13.513 1.00 0.00 N ATOM 44 CA TYR A 4 -5.512 10.689 -12.401 1.00 0.00 C ATOM 45 C TYR A 4 -4.077 10.963 -12.848 1.00 0.00 C ATOM 46 O TYR A 4 -3.361 11.763 -12.243 1.00 0.00 O ATOM 47 CB TYR A 4 -5.529 9.674 -11.251 1.00 0.00 C ATOM 48 CG TYR A 4 -4.907 10.166 -9.960 1.00 0.00 C ATOM 49 CD1 TYR A 4 -5.670 10.837 -9.014 1.00 0.00 C ATOM 50 CD2 TYR A 4 -3.561 9.951 -9.685 1.00 0.00 C ATOM 51 CE1 TYR A 4 -5.113 11.281 -7.831 1.00 0.00 C ATOM 52 CE2 TYR A 4 -2.997 10.392 -8.502 1.00 0.00 C ATOM 53 CZ TYR A 4 -3.776 11.058 -7.579 1.00 0.00 C ATOM 54 OH TYR A 4 -3.219 11.494 -6.400 1.00 0.00 O ATOM 0 H TYR A 4 -6.006 9.256 -13.848 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.947 11.627 -12.057 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.562 9.387 -11.054 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.004 8.774 -11.571 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.718 11.015 -9.207 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.947 9.432 -10.406 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.722 11.801 -7.106 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.951 10.216 -8.302 1.00 0.00 H new ATOM 0 HH TYR A 4 -2.269 11.256 -6.380 1.00 0.00 H new ATOM 64 N ASP A 5 -3.677 10.317 -13.931 1.00 0.00 N ATOM 65 CA ASP A 5 -2.296 10.370 -14.389 1.00 0.00 C ATOM 66 C ASP A 5 -2.237 10.930 -15.799 1.00 0.00 C ATOM 67 O ASP A 5 -3.204 10.817 -16.546 1.00 0.00 O ATOM 68 CB ASP A 5 -1.678 8.969 -14.351 1.00 0.00 C ATOM 69 CG ASP A 5 -1.723 8.352 -12.965 1.00 0.00 C ATOM 70 OD1 ASP A 5 -0.915 8.751 -12.099 1.00 0.00 O ATOM 71 OD2 ASP A 5 -2.587 7.478 -12.728 1.00 0.00 O ATOM 0 H ASP A 5 -4.291 9.747 -14.512 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.728 11.024 -13.727 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.208 8.322 -15.051 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.643 9.023 -14.688 1.00 0.00 H new ATOM 76 N GLU A 6 -1.120 11.553 -16.149 1.00 0.00 N ATOM 77 CA GLU A 6 -0.938 12.131 -17.477 1.00 0.00 C ATOM 78 C GLU A 6 0.514 11.984 -17.930 1.00 0.00 C ATOM 79 O GLU A 6 1.422 12.521 -17.297 1.00 0.00 O ATOM 80 CB GLU A 6 -1.339 13.614 -17.462 1.00 0.00 C ATOM 81 CG GLU A 6 -1.250 14.294 -18.820 1.00 0.00 C ATOM 82 CD GLU A 6 -1.630 15.763 -18.767 1.00 0.00 C ATOM 83 OE1 GLU A 6 -0.752 16.598 -18.463 1.00 0.00 O ATOM 84 OE2 GLU A 6 -2.807 16.093 -19.037 1.00 0.00 O ATOM 0 H GLU A 6 -0.320 11.672 -15.528 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.576 11.596 -18.181 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.360 13.700 -17.091 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.698 14.146 -16.758 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.234 14.200 -19.203 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.905 13.779 -19.523 1.00 0.00 H new ATOM 91 N ILE A 7 0.734 11.250 -19.018 1.00 0.00 N ATOM 92 CA ILE A 7 2.089 11.041 -19.533 1.00 0.00 C ATOM 93 C ILE A 7 2.214 11.620 -20.941 1.00 0.00 C ATOM 94 O ILE A 7 1.208 11.876 -21.604 1.00 0.00 O ATOM 95 CB ILE A 7 2.500 9.543 -19.581 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.840 8.736 -18.461 1.00 0.00 C ATOM 97 CG2 ILE A 7 4.014 9.402 -19.488 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.515 8.136 -18.866 1.00 0.00 C ATOM 0 H ILE A 7 -0.000 10.792 -19.558 1.00 0.00 H new ATOM 0 HA ILE A 7 2.757 11.551 -18.839 1.00 0.00 H new ATOM 0 HB ILE A 7 2.155 9.145 -20.535 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.514 7.938 -18.151 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.691 9.381 -17.595 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.284 8.347 -19.523 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.480 9.924 -20.324 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.363 9.835 -18.550 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.098 7.576 -18.029 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.174 8.932 -19.149 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.663 7.466 -19.713 1.00 0.00 H new ATOM 110 N GLU A 8 3.446 11.826 -21.389 1.00 0.00 N ATOM 111 CA GLU A 8 3.704 12.361 -22.722 1.00 0.00 C ATOM 112 C GLU A 8 3.336 11.353 -23.802 1.00 0.00 C ATOM 113 O GLU A 8 3.449 10.143 -23.604 1.00 0.00 O ATOM 114 CB GLU A 8 5.173 12.735 -22.867 1.00 0.00 C ATOM 115 CG GLU A 8 5.633 13.801 -21.892 1.00 0.00 C ATOM 116 CD GLU A 8 7.106 14.098 -22.033 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.473 14.896 -22.920 1.00 0.00 O ATOM 118 OE2 GLU A 8 7.905 13.531 -21.258 1.00 0.00 O ATOM 0 H GLU A 8 4.287 11.630 -20.846 1.00 0.00 H new ATOM 0 HA GLU A 8 3.084 13.249 -22.845 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.781 11.841 -22.727 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.350 13.085 -23.884 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.062 14.714 -22.057 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.425 13.475 -20.873 1.00 0.00 H new ATOM 125 N ILE A 9 2.914 11.866 -24.948 1.00 0.00 N ATOM 126 CA ILE A 9 2.541 11.034 -26.082 1.00 0.00 C ATOM 127 C ILE A 9 3.735 10.216 -26.580 1.00 0.00 C ATOM 128 O ILE A 9 3.584 9.083 -27.024 1.00 0.00 O ATOM 129 CB ILE A 9 1.973 11.908 -27.229 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.438 11.040 -28.365 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.028 12.880 -27.752 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.749 11.828 -29.457 1.00 0.00 C ATOM 0 H ILE A 9 2.821 12.867 -25.118 1.00 0.00 H new ATOM 0 HA ILE A 9 1.768 10.340 -25.752 1.00 0.00 H new ATOM 0 HB ILE A 9 1.145 12.489 -26.823 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.264 10.477 -28.801 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.737 10.313 -27.956 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.603 13.481 -28.556 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.353 13.534 -26.943 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.883 12.320 -28.131 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.395 11.146 -30.230 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.098 12.370 -29.036 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.453 12.537 -29.893 1.00 0.00 H new ATOM 144 N GLU A 10 4.920 10.797 -26.467 1.00 0.00 N ATOM 145 CA GLU A 10 6.145 10.163 -26.937 1.00 0.00 C ATOM 146 C GLU A 10 6.578 9.022 -26.022 1.00 0.00 C ATOM 147 O GLU A 10 7.256 8.094 -26.461 1.00 0.00 O ATOM 148 CB GLU A 10 7.260 11.199 -27.054 1.00 0.00 C ATOM 149 CG GLU A 10 6.942 12.319 -28.028 1.00 0.00 C ATOM 150 CD GLU A 10 8.105 13.260 -28.227 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.956 12.979 -29.094 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.185 14.280 -27.507 1.00 0.00 O ATOM 0 H GLU A 10 5.061 11.717 -26.049 1.00 0.00 H new ATOM 0 HA GLU A 10 5.943 9.738 -27.920 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.453 11.627 -26.070 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.177 10.701 -27.371 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.657 11.890 -28.989 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.083 12.881 -27.662 1.00 0.00 H new ATOM 159 N ASP A 11 6.207 9.100 -24.746 1.00 0.00 N ATOM 160 CA ASP A 11 6.578 8.057 -23.789 1.00 0.00 C ATOM 161 C ASP A 11 5.764 6.799 -24.057 1.00 0.00 C ATOM 162 O ASP A 11 6.220 5.684 -23.810 1.00 0.00 O ATOM 163 CB ASP A 11 6.372 8.531 -22.347 1.00 0.00 C ATOM 164 CG ASP A 11 7.014 7.596 -21.333 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.261 7.503 -21.310 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.283 6.954 -20.550 1.00 0.00 O ATOM 0 H ASP A 11 5.657 9.864 -24.353 1.00 0.00 H new ATOM 0 HA ASP A 11 7.637 7.832 -23.917 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.791 9.530 -22.232 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.304 8.608 -22.141 1.00 0.00 H new ATOM 171 N MET A 12 4.549 6.990 -24.563 1.00 0.00 N ATOM 172 CA MET A 12 3.729 5.880 -25.022 1.00 0.00 C ATOM 173 C MET A 12 4.325 5.279 -26.293 1.00 0.00 C ATOM 174 O MET A 12 4.981 5.971 -27.070 1.00 0.00 O ATOM 175 CB MET A 12 2.293 6.340 -25.282 1.00 0.00 C ATOM 176 CG MET A 12 1.572 6.825 -24.032 1.00 0.00 C ATOM 177 SD MET A 12 -0.132 7.325 -24.352 1.00 0.00 S ATOM 178 CE MET A 12 -0.823 5.802 -24.990 1.00 0.00 C ATOM 0 H MET A 12 4.112 7.906 -24.664 1.00 0.00 H new ATOM 0 HA MET A 12 3.711 5.119 -24.242 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.306 7.143 -26.019 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.730 5.515 -25.719 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.578 6.032 -23.285 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.119 7.667 -23.607 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.095 5.936 -26.037 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.085 5.004 -24.907 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.711 5.536 -24.416 1.00 0.00 H new ATOM 188 N THR A 13 4.097 3.994 -26.499 1.00 0.00 N ATOM 189 CA THR A 13 4.677 3.291 -27.630 1.00 0.00 C ATOM 190 C THR A 13 3.939 3.611 -28.929 1.00 0.00 C ATOM 191 O THR A 13 2.705 3.561 -28.992 1.00 0.00 O ATOM 192 CB THR A 13 4.661 1.770 -27.397 1.00 0.00 C ATOM 193 OG1 THR A 13 5.144 1.476 -26.078 1.00 0.00 O ATOM 194 CG2 THR A 13 5.522 1.052 -28.422 1.00 0.00 C ATOM 0 H THR A 13 3.513 3.415 -25.896 1.00 0.00 H new ATOM 0 HA THR A 13 5.708 3.632 -27.722 1.00 0.00 H new ATOM 0 HB THR A 13 3.634 1.421 -27.501 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.578 0.597 -26.077 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.493 -0.021 -28.234 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.142 1.256 -29.423 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.550 1.406 -28.345 1.00 0.00 H new ATOM 202 N PHE A 14 4.712 3.941 -29.954 1.00 0.00 N ATOM 203 CA PHE A 14 4.177 4.251 -31.269 1.00 0.00 C ATOM 204 C PHE A 14 3.736 2.974 -31.976 1.00 0.00 C ATOM 205 O PHE A 14 4.511 2.025 -32.086 1.00 0.00 O ATOM 206 CB PHE A 14 5.243 4.949 -32.129 1.00 0.00 C ATOM 207 CG PHE A 14 5.818 6.207 -31.528 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.723 6.143 -30.477 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.464 7.451 -32.023 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.257 7.295 -29.932 1.00 0.00 C ATOM 211 CE2 PHE A 14 5.994 8.607 -31.481 1.00 0.00 C ATOM 212 CZ PHE A 14 6.891 8.528 -30.433 1.00 0.00 C ATOM 0 H PHE A 14 5.729 4.001 -29.896 1.00 0.00 H new ATOM 0 HA PHE A 14 3.321 4.913 -31.138 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.056 4.247 -32.314 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.806 5.193 -33.097 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.013 5.181 -30.081 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.765 7.519 -32.843 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.960 7.231 -29.115 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.707 9.570 -31.876 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.305 9.430 -30.006 1.00 0.00 H new ATOM 222 N GLU A 15 2.498 2.952 -32.447 1.00 0.00 N ATOM 223 CA GLU A 15 2.006 1.843 -33.257 1.00 0.00 C ATOM 224 C GLU A 15 1.452 2.359 -34.579 1.00 0.00 C ATOM 225 O GLU A 15 0.251 2.614 -34.709 1.00 0.00 O ATOM 226 CB GLU A 15 0.942 1.026 -32.514 1.00 0.00 C ATOM 227 CG GLU A 15 1.513 -0.114 -31.689 1.00 0.00 C ATOM 228 CD GLU A 15 2.221 -1.152 -32.542 1.00 0.00 C ATOM 229 OE1 GLU A 15 1.555 -2.110 -32.997 1.00 0.00 O ATOM 230 OE2 GLU A 15 3.442 -1.014 -32.760 1.00 0.00 O ATOM 0 H GLU A 15 1.813 3.690 -32.283 1.00 0.00 H new ATOM 0 HA GLU A 15 2.848 1.181 -33.458 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.379 1.690 -31.859 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.237 0.620 -33.239 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.213 0.287 -30.956 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.708 -0.594 -31.132 1.00 0.00 H new ATOM 237 N PRO A 16 2.330 2.542 -35.576 1.00 0.00 N ATOM 238 CA PRO A 16 1.946 3.082 -36.879 1.00 0.00 C ATOM 239 C PRO A 16 1.012 2.145 -37.630 1.00 0.00 C ATOM 240 O PRO A 16 0.106 2.589 -38.328 1.00 0.00 O ATOM 241 CB PRO A 16 3.278 3.232 -37.620 1.00 0.00 C ATOM 242 CG PRO A 16 4.208 2.287 -36.942 1.00 0.00 C ATOM 243 CD PRO A 16 3.772 2.238 -35.506 1.00 0.00 C ATOM 0 HA PRO A 16 1.398 4.020 -36.788 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.171 2.989 -38.677 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.647 4.256 -37.564 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.161 1.298 -37.398 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.240 2.628 -37.025 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.955 1.259 -35.064 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.307 2.968 -34.898 1.00 0.00 H new ATOM 251 N GLU A 17 1.223 0.848 -37.442 1.00 0.00 N ATOM 252 CA GLU A 17 0.437 -0.178 -38.122 1.00 0.00 C ATOM 253 C GLU A 17 -1.038 -0.098 -37.738 1.00 0.00 C ATOM 254 O GLU A 17 -1.913 -0.372 -38.556 1.00 0.00 O ATOM 255 CB GLU A 17 0.983 -1.564 -37.783 1.00 0.00 C ATOM 256 CG GLU A 17 2.428 -1.773 -38.201 1.00 0.00 C ATOM 257 CD GLU A 17 2.942 -3.149 -37.839 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.670 -4.104 -38.596 1.00 0.00 O ATOM 259 OE2 GLU A 17 3.608 -3.286 -36.791 1.00 0.00 O ATOM 0 H GLU A 17 1.939 0.478 -36.818 1.00 0.00 H new ATOM 0 HA GLU A 17 0.518 -0.004 -39.195 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.899 -1.724 -36.708 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.362 -2.317 -38.267 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.516 -1.627 -39.278 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.054 -1.018 -37.725 1.00 0.00 H new ATOM 266 N ASN A 18 -1.310 0.277 -36.492 1.00 0.00 N ATOM 267 CA ASN A 18 -2.683 0.370 -36.004 1.00 0.00 C ATOM 268 C ASN A 18 -3.150 1.825 -35.954 1.00 0.00 C ATOM 269 O ASN A 18 -4.293 2.110 -35.594 1.00 0.00 O ATOM 270 CB ASN A 18 -2.763 -0.265 -34.619 1.00 0.00 C ATOM 271 CG ASN A 18 -4.014 -1.092 -34.422 1.00 0.00 C ATOM 272 OD1 ASN A 18 -5.087 -0.768 -34.927 1.00 0.00 O ATOM 273 ND2 ASN A 18 -3.866 -2.198 -33.717 1.00 0.00 N ATOM 0 H ASN A 18 -0.599 0.521 -35.802 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.342 -0.163 -36.689 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.888 -0.896 -34.463 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.729 0.519 -33.863 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.660 -2.822 -33.574 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.957 -2.429 -33.315 1.00 0.00 H new ATOM 280 N GLN A 19 -2.245 2.735 -36.319 1.00 0.00 N ATOM 281 CA GLN A 19 -2.524 4.178 -36.354 1.00 0.00 C ATOM 282 C GLN A 19 -2.877 4.724 -34.968 1.00 0.00 C ATOM 283 O GLN A 19 -3.693 5.639 -34.849 1.00 0.00 O ATOM 284 CB GLN A 19 -3.664 4.512 -37.334 1.00 0.00 C ATOM 285 CG GLN A 19 -3.286 4.446 -38.813 1.00 0.00 C ATOM 286 CD GLN A 19 -3.427 3.059 -39.410 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.496 2.686 -39.892 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.346 2.303 -39.424 1.00 0.00 N ATOM 0 H GLN A 19 -1.294 2.495 -36.600 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.607 4.657 -36.698 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.490 3.824 -37.155 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.031 5.514 -37.113 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.914 5.140 -39.372 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.256 4.782 -38.932 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.478 2.647 -39.014 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.379 1.374 -39.845 1.00 0.00 H new ATOM 297 N MET A 20 -2.242 4.202 -33.923 1.00 0.00 N ATOM 298 CA MET A 20 -2.565 4.633 -32.567 1.00 0.00 C ATOM 299 C MET A 20 -1.385 4.441 -31.623 1.00 0.00 C ATOM 300 O MET A 20 -0.411 3.768 -31.960 1.00 0.00 O ATOM 301 CB MET A 20 -3.773 3.855 -32.036 1.00 0.00 C ATOM 302 CG MET A 20 -3.495 2.377 -31.825 1.00 0.00 C ATOM 303 SD MET A 20 -4.888 1.500 -31.092 1.00 0.00 S ATOM 304 CE MET A 20 -4.194 -0.142 -30.948 1.00 0.00 C ATOM 0 H MET A 20 -1.513 3.492 -33.986 1.00 0.00 H new ATOM 0 HA MET A 20 -2.802 5.696 -32.609 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.092 4.295 -31.091 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.602 3.965 -32.735 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.247 1.919 -32.782 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.622 2.265 -31.182 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.984 -0.883 -31.069 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.439 -0.287 -31.721 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.735 -0.258 -29.966 1.00 0.00 H new ATOM 314 N PHE A 21 -1.486 5.031 -30.442 1.00 0.00 N ATOM 315 CA PHE A 21 -0.464 4.883 -29.415 1.00 0.00 C ATOM 316 C PHE A 21 -0.895 3.857 -28.380 1.00 0.00 C ATOM 317 O PHE A 21 -2.083 3.729 -28.075 1.00 0.00 O ATOM 318 CB PHE A 21 -0.187 6.217 -28.724 1.00 0.00 C ATOM 319 CG PHE A 21 0.672 7.146 -29.525 1.00 0.00 C ATOM 320 CD1 PHE A 21 0.115 8.002 -30.458 1.00 0.00 C ATOM 321 CD2 PHE A 21 2.044 7.162 -29.343 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.910 8.856 -31.196 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.843 8.013 -30.078 1.00 0.00 C ATOM 324 CZ PHE A 21 2.276 8.862 -31.005 1.00 0.00 C ATOM 0 H PHE A 21 -2.272 5.621 -30.169 1.00 0.00 H new ATOM 0 HA PHE A 21 0.450 4.542 -29.902 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.136 6.709 -28.510 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.296 6.026 -27.766 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.954 8.002 -30.611 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.494 6.501 -28.617 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.463 9.519 -31.922 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.912 8.014 -29.927 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.900 9.530 -31.580 1.00 0.00 H new ATOM 334 N THR A 22 0.071 3.130 -27.846 1.00 0.00 N ATOM 335 CA THR A 22 -0.199 2.115 -26.843 1.00 0.00 C ATOM 336 C THR A 22 0.850 2.152 -25.737 1.00 0.00 C ATOM 337 O THR A 22 2.039 2.279 -26.004 1.00 0.00 O ATOM 338 CB THR A 22 -0.237 0.710 -27.472 1.00 0.00 C ATOM 339 OG1 THR A 22 0.925 0.509 -28.287 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.495 0.512 -28.306 1.00 0.00 C ATOM 0 H THR A 22 1.056 3.225 -28.093 1.00 0.00 H new ATOM 0 HA THR A 22 -1.177 2.333 -26.413 1.00 0.00 H new ATOM 0 HB THR A 22 -0.247 -0.022 -26.665 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.896 -0.387 -28.683 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.492 -0.489 -28.737 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.374 0.632 -27.673 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.521 1.251 -29.107 1.00 0.00 H new ATOM 348 N TYR A 23 0.411 2.042 -24.495 1.00 0.00 N ATOM 349 CA TYR A 23 1.317 2.105 -23.362 1.00 0.00 C ATOM 350 C TYR A 23 1.330 0.769 -22.628 1.00 0.00 C ATOM 351 O TYR A 23 0.289 0.285 -22.192 1.00 0.00 O ATOM 352 CB TYR A 23 0.909 3.240 -22.419 1.00 0.00 C ATOM 353 CG TYR A 23 2.018 3.715 -21.508 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.225 4.152 -22.036 1.00 0.00 C ATOM 355 CD2 TYR A 23 1.857 3.745 -20.127 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.241 4.603 -21.218 1.00 0.00 C ATOM 357 CE2 TYR A 23 2.872 4.193 -19.300 1.00 0.00 C ATOM 358 CZ TYR A 23 4.063 4.621 -19.852 1.00 0.00 C ATOM 359 OH TYR A 23 5.075 5.078 -19.040 1.00 0.00 O ATOM 0 H TYR A 23 -0.569 1.908 -24.246 1.00 0.00 H new ATOM 0 HA TYR A 23 2.325 2.309 -23.724 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.556 4.083 -23.014 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.070 2.907 -21.809 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.372 4.139 -23.106 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.925 3.413 -19.693 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.173 4.941 -21.647 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.733 4.208 -18.229 1.00 0.00 H new ATOM 0 HH TYR A 23 5.436 5.912 -19.406 1.00 0.00 H new ATOM 369 N PRO A 24 2.512 0.149 -22.526 1.00 0.00 N ATOM 370 CA PRO A 24 2.694 -1.158 -21.876 1.00 0.00 C ATOM 371 C PRO A 24 2.080 -1.242 -20.476 1.00 0.00 C ATOM 372 O PRO A 24 2.472 -0.513 -19.564 1.00 0.00 O ATOM 373 CB PRO A 24 4.212 -1.301 -21.786 1.00 0.00 C ATOM 374 CG PRO A 24 4.747 -0.456 -22.887 1.00 0.00 C ATOM 375 CD PRO A 24 3.776 0.679 -23.061 1.00 0.00 C ATOM 0 HA PRO A 24 2.195 -1.945 -22.441 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.583 -0.967 -20.817 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.518 -2.341 -21.903 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.741 -0.082 -22.642 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.841 -1.032 -23.808 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.098 1.567 -22.518 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.678 0.964 -24.109 1.00 0.00 H new ATOM 383 N CYS A 25 1.127 -2.151 -20.326 1.00 0.00 N ATOM 384 CA CYS A 25 0.480 -2.417 -19.049 1.00 0.00 C ATOM 385 C CYS A 25 0.371 -3.920 -18.843 1.00 0.00 C ATOM 386 O CYS A 25 0.142 -4.656 -19.802 1.00 0.00 O ATOM 387 CB CYS A 25 -0.914 -1.776 -19.023 1.00 0.00 C ATOM 388 SG CYS A 25 -1.951 -2.250 -17.597 1.00 0.00 S ATOM 0 H CYS A 25 0.779 -2.728 -21.092 1.00 0.00 H new ATOM 0 HA CYS A 25 1.075 -1.986 -18.244 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.800 -0.692 -19.026 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.438 -2.044 -19.940 1.00 0.00 H new ATOM 393 N PRO A 26 0.600 -4.411 -17.616 1.00 0.00 N ATOM 394 CA PRO A 26 0.379 -5.803 -17.277 1.00 0.00 C ATOM 395 C PRO A 26 -1.031 -6.042 -16.731 1.00 0.00 C ATOM 396 O PRO A 26 -1.409 -5.487 -15.696 1.00 0.00 O ATOM 397 CB PRO A 26 1.431 -6.069 -16.191 1.00 0.00 C ATOM 398 CG PRO A 26 1.935 -4.723 -15.747 1.00 0.00 C ATOM 399 CD PRO A 26 1.125 -3.675 -16.471 1.00 0.00 C ATOM 0 HA PRO A 26 0.466 -6.460 -18.142 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.996 -6.616 -15.354 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.246 -6.679 -16.581 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.830 -4.611 -14.668 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.995 -4.615 -15.977 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.327 -3.276 -15.845 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.740 -2.830 -16.780 1.00 0.00 H new ATOM 407 N CYS A 27 -1.776 -6.899 -17.420 1.00 0.00 N ATOM 408 CA CYS A 27 -3.154 -7.222 -17.057 1.00 0.00 C ATOM 409 C CYS A 27 -3.724 -8.186 -18.088 1.00 0.00 C ATOM 410 O CYS A 27 -4.445 -9.130 -17.764 1.00 0.00 O ATOM 411 CB CYS A 27 -4.019 -5.954 -17.013 1.00 0.00 C ATOM 412 SG CYS A 27 -4.220 -5.133 -18.630 1.00 0.00 S ATOM 0 H CYS A 27 -1.442 -7.391 -18.248 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.160 -7.678 -16.067 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.004 -6.212 -16.624 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.574 -5.248 -16.312 1.00 0.00 H new ATOM 417 N GLY A 28 -3.375 -7.923 -19.336 1.00 0.00 N ATOM 418 CA GLY A 28 -3.845 -8.713 -20.448 1.00 0.00 C ATOM 419 C GLY A 28 -3.757 -7.926 -21.735 1.00 0.00 C ATOM 420 O GLY A 28 -3.608 -8.490 -22.820 1.00 0.00 O ATOM 0 H GLY A 28 -2.758 -7.155 -19.601 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.251 -9.623 -20.531 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.876 -9.020 -20.273 1.00 0.00 H new ATOM 424 N ASP A 29 -3.832 -6.609 -21.603 1.00 0.00 N ATOM 425 CA ASP A 29 -3.731 -5.708 -22.740 1.00 0.00 C ATOM 426 C ASP A 29 -2.943 -4.466 -22.331 1.00 0.00 C ATOM 427 O ASP A 29 -2.510 -4.361 -21.186 1.00 0.00 O ATOM 428 CB ASP A 29 -5.115 -5.321 -23.263 1.00 0.00 C ATOM 429 CG ASP A 29 -5.122 -5.086 -24.766 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.174 -4.462 -25.290 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.069 -5.547 -25.438 1.00 0.00 O ATOM 0 H ASP A 29 -3.964 -6.138 -20.708 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.208 -6.219 -23.548 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.827 -6.109 -23.018 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.453 -4.418 -22.755 1.00 0.00 H new ATOM 436 N ARG A 30 -2.696 -3.575 -23.277 1.00 0.00 N ATOM 437 CA ARG A 30 -1.947 -2.353 -23.006 1.00 0.00 C ATOM 438 C ARG A 30 -2.821 -1.127 -23.260 1.00 0.00 C ATOM 439 O ARG A 30 -3.762 -1.189 -24.057 1.00 0.00 O ATOM 440 CB ARG A 30 -0.694 -2.303 -23.886 1.00 0.00 C ATOM 441 CG ARG A 30 -0.994 -2.333 -25.376 1.00 0.00 C ATOM 442 CD ARG A 30 0.238 -2.686 -26.190 1.00 0.00 C ATOM 443 NE ARG A 30 1.312 -1.702 -26.053 1.00 0.00 N ATOM 444 CZ ARG A 30 2.604 -1.996 -26.197 1.00 0.00 C ATOM 445 NH1 ARG A 30 2.981 -3.253 -26.417 1.00 0.00 N ATOM 446 NH2 ARG A 30 3.518 -1.037 -26.119 1.00 0.00 N ATOM 0 H ARG A 30 -3.004 -3.673 -24.245 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.644 -2.351 -21.959 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.134 -1.397 -23.655 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.051 -3.147 -23.636 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.782 -3.060 -25.574 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.372 -1.360 -25.691 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.606 -3.663 -25.878 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.039 -2.770 -27.241 1.00 0.00 H new ATOM 0 HE ARG A 30 1.058 -0.738 -25.835 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.281 -3.993 -26.476 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.970 -3.477 -26.527 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.232 -0.073 -25.949 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.506 -1.264 -26.229 1.00 0.00 H new ATOM 460 N PHE A 31 -2.505 -0.024 -22.573 1.00 0.00 N ATOM 461 CA PHE A 31 -3.222 1.238 -22.765 1.00 0.00 C ATOM 462 C PHE A 31 -3.268 1.590 -24.242 1.00 0.00 C ATOM 463 O PHE A 31 -2.236 1.610 -24.905 1.00 0.00 O ATOM 464 CB PHE A 31 -2.537 2.392 -22.018 1.00 0.00 C ATOM 465 CG PHE A 31 -2.485 2.244 -20.526 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.553 2.641 -19.741 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.359 1.727 -19.906 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.499 2.523 -18.367 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.302 1.603 -18.533 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.374 2.003 -17.763 1.00 0.00 C ATOM 0 H PHE A 31 -1.758 0.019 -21.880 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.229 1.103 -22.370 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.519 2.493 -22.393 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.058 3.319 -22.257 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.438 3.047 -20.208 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.515 1.417 -20.505 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.338 2.838 -17.765 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.420 1.194 -18.062 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.332 1.909 -16.688 1.00 0.00 H new ATOM 480 N GLN A 32 -4.448 1.871 -24.756 1.00 0.00 N ATOM 481 CA GLN A 32 -4.592 2.183 -26.164 1.00 0.00 C ATOM 482 C GLN A 32 -5.463 3.416 -26.355 1.00 0.00 C ATOM 483 O GLN A 32 -6.421 3.640 -25.611 1.00 0.00 O ATOM 484 CB GLN A 32 -5.154 0.978 -26.923 1.00 0.00 C ATOM 485 CG GLN A 32 -6.441 0.415 -26.347 1.00 0.00 C ATOM 486 CD GLN A 32 -6.893 -0.829 -27.083 1.00 0.00 C ATOM 487 OE1 GLN A 32 -7.671 -0.760 -28.034 1.00 0.00 O ATOM 488 NE2 GLN A 32 -6.386 -1.976 -26.663 1.00 0.00 N ATOM 0 H GLN A 32 -5.318 1.890 -24.223 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.608 2.408 -26.574 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.331 1.267 -27.959 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.401 0.190 -26.936 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.294 0.180 -25.293 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.224 1.172 -26.399 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.744 -1.990 -25.871 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.637 -2.847 -27.132 1.00 0.00 H new ATOM 497 N ILE A 33 -5.102 4.230 -27.332 1.00 0.00 N ATOM 498 CA ILE A 33 -5.821 5.460 -27.604 1.00 0.00 C ATOM 499 C ILE A 33 -5.857 5.739 -29.103 1.00 0.00 C ATOM 500 O ILE A 33 -4.838 5.641 -29.787 1.00 0.00 O ATOM 501 CB ILE A 33 -5.189 6.651 -26.849 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.959 7.941 -27.141 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.712 6.801 -27.207 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.489 9.123 -26.326 1.00 0.00 C ATOM 0 H ILE A 33 -4.311 4.059 -27.952 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.844 5.337 -27.248 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.253 6.452 -25.779 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.863 8.180 -28.200 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.018 7.774 -26.946 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.290 7.646 -26.663 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.177 5.891 -26.935 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.613 6.974 -28.279 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.079 10.002 -26.586 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.610 8.905 -25.265 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.438 9.317 -26.539 1.00 0.00 H new ATOM 516 N TYR A 34 -7.036 6.065 -29.607 1.00 0.00 N ATOM 517 CA TYR A 34 -7.225 6.296 -31.030 1.00 0.00 C ATOM 518 C TYR A 34 -6.810 7.715 -31.400 1.00 0.00 C ATOM 519 O TYR A 34 -7.252 8.682 -30.775 1.00 0.00 O ATOM 520 CB TYR A 34 -8.686 6.050 -31.412 1.00 0.00 C ATOM 521 CG TYR A 34 -9.182 4.672 -31.034 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.885 3.564 -31.820 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.935 4.475 -29.884 1.00 0.00 C ATOM 524 CE1 TYR A 34 -9.330 2.304 -31.474 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.382 3.217 -29.530 1.00 0.00 C ATOM 526 CZ TYR A 34 -10.076 2.135 -30.328 1.00 0.00 C ATOM 527 OH TYR A 34 -10.521 0.879 -29.977 1.00 0.00 O ATOM 0 H TYR A 34 -7.882 6.176 -29.048 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.596 5.600 -31.584 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.312 6.799 -30.927 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.801 6.187 -32.487 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.296 3.691 -32.716 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.175 5.320 -29.256 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.095 1.455 -32.098 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.968 3.082 -28.633 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.031 0.934 -29.142 1.00 0.00 H new ATOM 537 N LEU A 35 -5.966 7.831 -32.418 1.00 0.00 N ATOM 538 CA LEU A 35 -5.430 9.124 -32.838 1.00 0.00 C ATOM 539 C LEU A 35 -6.548 10.049 -33.311 1.00 0.00 C ATOM 540 O LEU A 35 -6.507 11.260 -33.086 1.00 0.00 O ATOM 541 CB LEU A 35 -4.400 8.928 -33.957 1.00 0.00 C ATOM 542 CG LEU A 35 -3.135 9.786 -33.846 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.466 11.268 -33.901 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.386 9.456 -32.567 1.00 0.00 C ATOM 0 H LEU A 35 -5.635 7.041 -32.972 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.942 9.587 -31.980 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.106 7.879 -33.977 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.881 9.142 -34.911 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.496 9.556 -34.698 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.547 11.849 -33.820 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.957 11.496 -34.847 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.131 11.523 -33.076 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.490 10.073 -32.501 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.027 9.655 -31.708 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.103 8.403 -32.572 1.00 0.00 H new ATOM 556 N ASP A 36 -7.559 9.466 -33.936 1.00 0.00 N ATOM 557 CA ASP A 36 -8.685 10.219 -34.454 1.00 0.00 C ATOM 558 C ASP A 36 -9.482 10.870 -33.325 1.00 0.00 C ATOM 559 O ASP A 36 -10.122 11.901 -33.525 1.00 0.00 O ATOM 560 CB ASP A 36 -9.576 9.301 -35.295 1.00 0.00 C ATOM 561 CG ASP A 36 -9.964 8.022 -34.576 1.00 0.00 C ATOM 562 OD1 ASP A 36 -9.094 7.134 -34.426 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.136 7.893 -34.168 1.00 0.00 O ATOM 0 H ASP A 36 -7.620 8.461 -34.097 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.306 11.021 -35.087 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.480 9.841 -35.576 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.056 9.047 -36.219 1.00 0.00 H new ATOM 568 N ASP A 37 -9.420 10.284 -32.133 1.00 0.00 N ATOM 569 CA ASP A 37 -10.103 10.848 -30.971 1.00 0.00 C ATOM 570 C ASP A 37 -9.244 11.940 -30.349 1.00 0.00 C ATOM 571 O ASP A 37 -9.751 12.928 -29.818 1.00 0.00 O ATOM 572 CB ASP A 37 -10.401 9.760 -29.936 1.00 0.00 C ATOM 573 CG ASP A 37 -11.840 9.784 -29.463 1.00 0.00 C ATOM 574 OD1 ASP A 37 -12.722 9.322 -30.214 1.00 0.00 O ATOM 575 OD2 ASP A 37 -12.095 10.251 -28.332 1.00 0.00 O ATOM 0 H ASP A 37 -8.907 9.423 -31.946 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.050 11.277 -31.298 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.180 8.783 -30.367 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.739 9.887 -29.080 1.00 0.00 H new ATOM 580 N MET A 38 -7.930 11.760 -30.442 1.00 0.00 N ATOM 581 CA MET A 38 -6.977 12.744 -29.940 1.00 0.00 C ATOM 582 C MET A 38 -7.054 14.013 -30.774 1.00 0.00 C ATOM 583 O MET A 38 -6.918 15.122 -30.256 1.00 0.00 O ATOM 584 CB MET A 38 -5.552 12.189 -29.987 1.00 0.00 C ATOM 585 CG MET A 38 -5.378 10.888 -29.229 1.00 0.00 C ATOM 586 SD MET A 38 -3.692 10.257 -29.311 1.00 0.00 S ATOM 587 CE MET A 38 -2.804 11.518 -28.398 1.00 0.00 C ATOM 0 H MET A 38 -7.499 10.937 -30.863 1.00 0.00 H new ATOM 0 HA MET A 38 -7.232 12.971 -28.905 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.266 12.034 -31.027 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.869 12.932 -29.576 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.655 11.040 -28.186 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.061 10.142 -29.634 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.835 11.128 -28.087 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.657 12.391 -29.033 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.380 11.803 -27.517 1.00 0.00 H new ATOM 597 N PHE A 39 -7.291 13.832 -32.067 1.00 0.00 N ATOM 598 CA PHE A 39 -7.406 14.945 -33.002 1.00 0.00 C ATOM 599 C PHE A 39 -8.655 15.764 -32.693 1.00 0.00 C ATOM 600 O PHE A 39 -8.736 16.948 -33.016 1.00 0.00 O ATOM 601 CB PHE A 39 -7.447 14.417 -34.441 1.00 0.00 C ATOM 602 CG PHE A 39 -7.428 15.490 -35.494 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.248 16.137 -35.826 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.592 15.854 -36.154 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.228 17.123 -36.793 1.00 0.00 C ATOM 606 CE2 PHE A 39 -8.578 16.840 -37.123 1.00 0.00 C ATOM 607 CZ PHE A 39 -7.393 17.475 -37.442 1.00 0.00 C ATOM 0 H PHE A 39 -7.409 12.914 -32.496 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.536 15.593 -32.895 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.595 13.756 -34.597 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.346 13.814 -34.569 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.332 15.867 -35.322 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.521 15.361 -35.908 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.301 17.618 -37.041 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.492 17.113 -37.630 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.379 18.246 -38.198 1.00 0.00 H new ATOM 617 N GLU A 40 -9.620 15.123 -32.043 1.00 0.00 N ATOM 618 CA GLU A 40 -10.848 15.783 -31.636 1.00 0.00 C ATOM 619 C GLU A 40 -10.624 16.638 -30.390 1.00 0.00 C ATOM 620 O GLU A 40 -11.498 17.408 -29.989 1.00 0.00 O ATOM 621 CB GLU A 40 -11.939 14.746 -31.383 1.00 0.00 C ATOM 622 CG GLU A 40 -12.404 14.045 -32.651 1.00 0.00 C ATOM 623 CD GLU A 40 -13.595 13.134 -32.425 1.00 0.00 C ATOM 624 OE1 GLU A 40 -13.951 12.873 -31.257 1.00 0.00 O ATOM 625 OE2 GLU A 40 -14.196 12.680 -33.424 1.00 0.00 O ATOM 0 H GLU A 40 -9.571 14.137 -31.786 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.167 16.443 -32.442 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.567 14.001 -30.679 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.792 15.233 -30.911 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.664 14.794 -33.399 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.579 13.460 -33.059 1.00 0.00 H new ATOM 632 N GLY A 41 -9.450 16.501 -29.784 1.00 0.00 N ATOM 633 CA GLY A 41 -9.100 17.325 -28.643 1.00 0.00 C ATOM 634 C GLY A 41 -9.107 16.561 -27.335 1.00 0.00 C ATOM 635 O GLY A 41 -8.513 17.005 -26.350 1.00 0.00 O ATOM 0 H GLY A 41 -8.733 15.832 -30.064 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.110 17.753 -28.802 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.800 18.157 -28.575 1.00 0.00 H new ATOM 639 N GLU A 42 -9.769 15.415 -27.314 1.00 0.00 N ATOM 640 CA GLU A 42 -9.845 14.607 -26.104 1.00 0.00 C ATOM 641 C GLU A 42 -8.618 13.714 -25.976 1.00 0.00 C ATOM 642 O GLU A 42 -8.336 12.898 -26.854 1.00 0.00 O ATOM 643 CB GLU A 42 -11.121 13.768 -26.101 1.00 0.00 C ATOM 644 CG GLU A 42 -12.226 14.334 -25.217 1.00 0.00 C ATOM 645 CD GLU A 42 -12.603 15.761 -25.567 1.00 0.00 C ATOM 646 OE1 GLU A 42 -13.236 15.973 -26.619 1.00 0.00 O ATOM 647 OE2 GLU A 42 -12.271 16.680 -24.783 1.00 0.00 O ATOM 0 H GLU A 42 -10.260 15.023 -28.117 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.871 15.278 -25.245 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.492 13.684 -27.122 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.881 12.759 -25.766 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.109 13.701 -25.302 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.905 14.295 -24.176 1.00 0.00 H new ATOM 654 N LYS A 43 -7.891 13.871 -24.877 1.00 0.00 N ATOM 655 CA LYS A 43 -6.636 13.162 -24.688 1.00 0.00 C ATOM 656 C LYS A 43 -6.660 12.272 -23.451 1.00 0.00 C ATOM 657 O LYS A 43 -6.457 12.725 -22.325 1.00 0.00 O ATOM 658 CB LYS A 43 -5.497 14.159 -24.592 1.00 0.00 C ATOM 659 CG LYS A 43 -5.769 15.275 -23.614 1.00 0.00 C ATOM 660 CD LYS A 43 -4.613 16.229 -23.565 1.00 0.00 C ATOM 661 CE LYS A 43 -4.953 17.455 -22.751 1.00 0.00 C ATOM 662 NZ LYS A 43 -4.939 17.183 -21.288 1.00 0.00 N ATOM 0 H LYS A 43 -8.151 14.484 -24.104 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.488 12.512 -25.551 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.588 13.636 -24.294 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.311 14.585 -25.578 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.675 15.808 -23.905 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.947 14.861 -22.622 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.745 15.731 -23.133 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.339 16.526 -24.578 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.240 18.248 -22.978 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.938 17.819 -23.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.178 18.053 -20.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.637 16.445 -21.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.992 16.861 -21.004 1.00 0.00 H new ATOM 676 N VAL A 44 -6.868 10.997 -23.685 1.00 0.00 N ATOM 677 CA VAL A 44 -6.958 10.016 -22.615 1.00 0.00 C ATOM 678 C VAL A 44 -6.875 8.601 -23.177 1.00 0.00 C ATOM 679 O VAL A 44 -7.626 8.235 -24.082 1.00 0.00 O ATOM 680 CB VAL A 44 -8.257 10.189 -21.783 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.450 10.449 -22.685 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.514 8.975 -20.902 1.00 0.00 C ATOM 0 H VAL A 44 -6.980 10.605 -24.620 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.112 10.183 -21.948 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.119 11.055 -21.136 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.347 10.566 -22.077 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.280 11.359 -23.260 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.581 9.608 -23.366 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.431 9.127 -20.332 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.618 8.088 -21.526 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.678 8.840 -20.216 1.00 0.00 H new ATOM 692 N ALA A 45 -5.954 7.817 -22.644 1.00 0.00 N ATOM 693 CA ALA A 45 -5.769 6.448 -23.084 1.00 0.00 C ATOM 694 C ALA A 45 -6.437 5.490 -22.109 1.00 0.00 C ATOM 695 O ALA A 45 -6.426 5.712 -20.896 1.00 0.00 O ATOM 696 CB ALA A 45 -4.287 6.127 -23.220 1.00 0.00 C ATOM 0 H ALA A 45 -5.319 8.109 -21.901 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.234 6.329 -24.062 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.167 5.095 -23.551 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.835 6.798 -23.951 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.796 6.258 -22.255 1.00 0.00 H new ATOM 702 N VAL A 46 -7.029 4.441 -22.647 1.00 0.00 N ATOM 703 CA VAL A 46 -7.712 3.448 -21.836 1.00 0.00 C ATOM 704 C VAL A 46 -7.106 2.080 -22.074 1.00 0.00 C ATOM 705 O VAL A 46 -6.767 1.729 -23.204 1.00 0.00 O ATOM 706 CB VAL A 46 -9.228 3.403 -22.142 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.489 3.114 -23.614 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.933 2.384 -21.256 1.00 0.00 C ATOM 0 H VAL A 46 -7.051 4.253 -23.649 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.587 3.732 -20.791 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.638 4.388 -21.920 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.564 3.089 -23.795 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.036 3.896 -24.224 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.054 2.150 -23.878 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.997 2.372 -21.491 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.511 1.395 -21.433 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.796 2.655 -20.209 1.00 0.00 H new ATOM 718 N CYS A 47 -6.939 1.328 -21.014 1.00 0.00 N ATOM 719 CA CYS A 47 -6.450 -0.016 -21.143 1.00 0.00 C ATOM 720 C CYS A 47 -7.582 -1.002 -20.895 1.00 0.00 C ATOM 721 O CYS A 47 -8.230 -0.966 -19.848 1.00 0.00 O ATOM 722 CB CYS A 47 -5.308 -0.258 -20.161 1.00 0.00 C ATOM 723 SG CYS A 47 -4.396 -1.809 -20.435 1.00 0.00 S ATOM 0 H CYS A 47 -7.134 1.625 -20.058 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.071 -0.162 -22.155 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.609 0.576 -20.223 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.711 -0.262 -19.148 1.00 0.00 H new ATOM 728 N PRO A 48 -7.868 -1.859 -21.877 1.00 0.00 N ATOM 729 CA PRO A 48 -8.843 -2.927 -21.721 1.00 0.00 C ATOM 730 C PRO A 48 -8.347 -3.992 -20.747 1.00 0.00 C ATOM 731 O PRO A 48 -7.148 -4.104 -20.510 1.00 0.00 O ATOM 732 CB PRO A 48 -8.997 -3.498 -23.132 1.00 0.00 C ATOM 733 CG PRO A 48 -7.753 -3.113 -23.851 1.00 0.00 C ATOM 734 CD PRO A 48 -7.262 -1.841 -23.216 1.00 0.00 C ATOM 0 HA PRO A 48 -9.787 -2.572 -21.308 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.117 -4.581 -23.107 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.879 -3.091 -23.627 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.002 -3.899 -23.773 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.950 -2.964 -24.913 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.174 -1.815 -23.162 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.574 -0.964 -23.784 1.00 0.00 H new ATOM 742 N SER A 49 -9.294 -4.735 -20.171 1.00 0.00 N ATOM 743 CA SER A 49 -9.027 -5.802 -19.207 1.00 0.00 C ATOM 744 C SER A 49 -8.932 -5.246 -17.791 1.00 0.00 C ATOM 745 O SER A 49 -9.729 -5.614 -16.925 1.00 0.00 O ATOM 746 CB SER A 49 -7.770 -6.596 -19.568 1.00 0.00 C ATOM 747 OG SER A 49 -7.852 -7.126 -20.884 1.00 0.00 O ATOM 0 H SER A 49 -10.287 -4.609 -20.366 1.00 0.00 H new ATOM 0 HA SER A 49 -9.869 -6.493 -19.248 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.895 -5.951 -19.488 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.634 -7.409 -18.855 1.00 0.00 H new ATOM 0 HG SER A 49 -7.034 -7.626 -21.087 1.00 0.00 H new ATOM 753 N CYS A 50 -7.985 -4.347 -17.555 1.00 0.00 N ATOM 754 CA CYS A 50 -7.835 -3.751 -16.235 1.00 0.00 C ATOM 755 C CYS A 50 -8.706 -2.499 -16.126 1.00 0.00 C ATOM 756 O CYS A 50 -9.144 -2.129 -15.033 1.00 0.00 O ATOM 757 CB CYS A 50 -6.368 -3.419 -15.946 1.00 0.00 C ATOM 758 SG CYS A 50 -5.695 -2.047 -16.933 1.00 0.00 S ATOM 0 H CYS A 50 -7.317 -4.018 -18.252 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.164 -4.474 -15.489 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.266 -3.173 -14.889 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.765 -4.309 -16.126 1.00 0.00 H new ATOM 763 N SER A 51 -8.961 -1.872 -17.279 1.00 0.00 N ATOM 764 CA SER A 51 -9.829 -0.701 -17.374 1.00 0.00 C ATOM 765 C SER A 51 -9.184 0.519 -16.714 1.00 0.00 C ATOM 766 O SER A 51 -9.837 1.262 -15.975 1.00 0.00 O ATOM 767 CB SER A 51 -11.202 -0.995 -16.755 1.00 0.00 C ATOM 768 OG SER A 51 -12.115 0.062 -16.996 1.00 0.00 O ATOM 0 H SER A 51 -8.568 -2.166 -18.173 1.00 0.00 H new ATOM 0 HA SER A 51 -9.971 -0.471 -18.430 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.599 -1.922 -17.169 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.094 -1.147 -15.681 1.00 0.00 H new ATOM 0 HG SER A 51 -11.764 0.892 -16.611 1.00 0.00 H new ATOM 774 N LEU A 52 -7.913 0.749 -17.016 1.00 0.00 N ATOM 775 CA LEU A 52 -7.188 1.864 -16.437 1.00 0.00 C ATOM 776 C LEU A 52 -7.147 3.014 -17.442 1.00 0.00 C ATOM 777 O LEU A 52 -6.801 2.823 -18.605 1.00 0.00 O ATOM 778 CB LEU A 52 -5.771 1.423 -16.044 1.00 0.00 C ATOM 779 CG LEU A 52 -5.173 2.111 -14.807 1.00 0.00 C ATOM 780 CD1 LEU A 52 -3.879 1.425 -14.394 1.00 0.00 C ATOM 781 CD2 LEU A 52 -4.918 3.585 -15.075 1.00 0.00 C ATOM 0 H LEU A 52 -7.366 0.176 -17.659 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.695 2.206 -15.535 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.782 0.347 -15.868 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.108 1.601 -16.891 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.894 2.029 -13.993 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.467 1.923 -13.516 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.081 0.380 -14.157 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.161 1.479 -15.212 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.495 4.049 -14.184 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.219 3.688 -15.905 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.857 4.077 -15.329 1.00 0.00 H new ATOM 793 N MET A 53 -7.529 4.196 -16.987 1.00 0.00 N ATOM 794 CA MET A 53 -7.592 5.374 -17.849 1.00 0.00 C ATOM 795 C MET A 53 -6.680 6.481 -17.333 1.00 0.00 C ATOM 796 O MET A 53 -6.650 6.756 -16.130 1.00 0.00 O ATOM 797 CB MET A 53 -9.030 5.895 -17.897 1.00 0.00 C ATOM 798 CG MET A 53 -10.031 4.885 -18.424 1.00 0.00 C ATOM 799 SD MET A 53 -11.723 5.268 -17.925 1.00 0.00 S ATOM 800 CE MET A 53 -11.605 5.060 -16.146 1.00 0.00 C ATOM 0 H MET A 53 -7.803 4.370 -16.020 1.00 0.00 H new ATOM 0 HA MET A 53 -7.260 5.085 -18.846 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.329 6.200 -16.894 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.063 6.786 -18.524 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.974 4.855 -19.512 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.765 3.891 -18.063 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.577 4.769 -15.748 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.873 4.285 -15.918 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.293 6.000 -15.690 1.00 0.00 H new ATOM 810 N ILE A 54 -5.953 7.122 -18.246 1.00 0.00 N ATOM 811 CA ILE A 54 -5.085 8.255 -17.907 1.00 0.00 C ATOM 812 C ILE A 54 -5.048 9.242 -19.072 1.00 0.00 C ATOM 813 O ILE A 54 -5.403 8.890 -20.195 1.00 0.00 O ATOM 814 CB ILE A 54 -3.619 7.835 -17.566 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.809 7.504 -18.835 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.585 6.658 -16.595 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.316 6.315 -19.621 1.00 0.00 C ATOM 0 H ILE A 54 -5.946 6.875 -19.236 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.512 8.710 -17.013 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.152 8.693 -17.081 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.808 8.378 -19.486 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.774 7.318 -18.550 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.550 6.393 -16.380 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.088 6.936 -15.669 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.093 5.803 -17.041 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.683 6.160 -20.495 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.290 5.425 -18.992 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.340 6.502 -19.943 1.00 0.00 H new ATOM 829 N ASP A 55 -4.619 10.465 -18.802 1.00 0.00 N ATOM 830 CA ASP A 55 -4.504 11.491 -19.832 1.00 0.00 C ATOM 831 C ASP A 55 -3.220 11.301 -20.629 1.00 0.00 C ATOM 832 O ASP A 55 -2.291 10.625 -20.176 1.00 0.00 O ATOM 833 CB ASP A 55 -4.473 12.890 -19.213 1.00 0.00 C ATOM 834 CG ASP A 55 -5.733 13.257 -18.466 1.00 0.00 C ATOM 835 OD1 ASP A 55 -5.897 12.811 -17.312 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.546 14.032 -19.014 1.00 0.00 O ATOM 0 H ASP A 55 -4.342 10.775 -17.871 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.373 11.396 -20.483 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.626 12.956 -18.531 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.304 13.622 -20.003 1.00 0.00 H new ATOM 841 N VAL A 56 -3.160 11.917 -21.801 1.00 0.00 N ATOM 842 CA VAL A 56 -1.943 11.891 -22.607 1.00 0.00 C ATOM 843 C VAL A 56 -1.597 13.297 -23.110 1.00 0.00 C ATOM 844 O VAL A 56 -2.476 14.047 -23.522 1.00 0.00 O ATOM 845 CB VAL A 56 -2.067 10.910 -23.802 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.210 11.306 -24.724 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.763 10.833 -24.578 1.00 0.00 C ATOM 0 H VAL A 56 -3.933 12.438 -22.215 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.136 11.536 -21.966 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.286 9.923 -23.396 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.271 10.599 -25.552 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.147 11.295 -24.167 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.032 12.308 -25.115 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.876 10.139 -25.411 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.509 11.821 -24.961 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.032 10.484 -23.919 1.00 0.00 H new ATOM 857 N VAL A 57 -0.318 13.654 -23.045 1.00 0.00 N ATOM 858 CA VAL A 57 0.141 14.960 -23.510 1.00 0.00 C ATOM 859 C VAL A 57 0.501 14.905 -24.993 1.00 0.00 C ATOM 860 O VAL A 57 1.469 14.250 -25.375 1.00 0.00 O ATOM 861 CB VAL A 57 1.373 15.448 -22.716 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.769 16.850 -23.158 1.00 0.00 C ATOM 863 CG2 VAL A 57 1.102 15.413 -21.219 1.00 0.00 C ATOM 0 H VAL A 57 0.421 13.056 -22.674 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.679 15.661 -23.352 1.00 0.00 H new ATOM 0 HB VAL A 57 2.203 14.773 -22.924 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.639 17.179 -22.589 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.013 16.841 -24.220 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.940 17.535 -22.982 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.984 15.761 -20.681 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.257 16.061 -20.987 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.871 14.392 -20.915 1.00 0.00 H new ATOM 873 N PHE A 58 -0.269 15.598 -25.821 1.00 0.00 N ATOM 874 CA PHE A 58 -0.052 15.583 -27.264 1.00 0.00 C ATOM 875 C PHE A 58 0.300 16.977 -27.774 1.00 0.00 C ATOM 876 O PHE A 58 0.115 17.971 -27.069 1.00 0.00 O ATOM 877 CB PHE A 58 -1.292 15.047 -28.003 1.00 0.00 C ATOM 878 CG PHE A 58 -2.496 15.959 -27.959 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.650 16.977 -28.890 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.474 15.792 -26.995 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.756 17.806 -28.860 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.582 16.619 -26.961 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.722 17.628 -27.891 1.00 0.00 C ATOM 0 H PHE A 58 -1.051 16.179 -25.519 1.00 0.00 H new ATOM 0 HA PHE A 58 0.786 14.916 -27.466 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.028 14.867 -29.045 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.567 14.084 -27.573 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.895 17.124 -29.648 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.371 15.007 -26.261 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.864 18.591 -29.594 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.339 16.474 -26.205 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.585 18.277 -27.861 1.00 0.00 H new ATOM 893 N ASP A 59 0.812 17.042 -28.998 1.00 0.00 N ATOM 894 CA ASP A 59 1.157 18.317 -29.619 1.00 0.00 C ATOM 895 C ASP A 59 0.659 18.349 -31.051 1.00 0.00 C ATOM 896 O ASP A 59 0.546 17.306 -31.699 1.00 0.00 O ATOM 897 CB ASP A 59 2.667 18.526 -29.609 1.00 0.00 C ATOM 898 CG ASP A 59 3.059 19.954 -29.921 1.00 0.00 C ATOM 899 OD1 ASP A 59 3.250 20.274 -31.107 1.00 0.00 O ATOM 900 OD2 ASP A 59 3.185 20.764 -28.979 1.00 0.00 O ATOM 0 H ASP A 59 0.998 16.226 -29.581 1.00 0.00 H new ATOM 0 HA ASP A 59 0.682 19.115 -29.048 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.062 18.250 -28.631 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.127 17.859 -30.338 1.00 0.00 H new ATOM 905 N LYS A 60 0.363 19.545 -31.535 1.00 0.00 N ATOM 906 CA LYS A 60 -0.044 19.744 -32.918 1.00 0.00 C ATOM 907 C LYS A 60 1.011 19.200 -33.874 1.00 0.00 C ATOM 908 O LYS A 60 0.683 18.566 -34.881 1.00 0.00 O ATOM 909 CB LYS A 60 -0.267 21.231 -33.188 1.00 0.00 C ATOM 910 CG LYS A 60 -1.473 21.814 -32.472 1.00 0.00 C ATOM 911 CD LYS A 60 -1.516 23.325 -32.624 1.00 0.00 C ATOM 912 CE LYS A 60 -2.810 23.906 -32.081 1.00 0.00 C ATOM 913 NZ LYS A 60 -2.861 25.384 -32.233 1.00 0.00 N ATOM 0 H LYS A 60 0.398 20.402 -30.983 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.976 19.203 -33.083 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.624 21.782 -32.886 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.386 21.381 -34.261 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.387 21.378 -32.876 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.435 21.552 -31.415 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.669 23.768 -32.099 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.412 23.588 -33.677 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.656 23.458 -32.602 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.911 23.646 -31.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.852 25.693 -32.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.410 25.833 -31.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.356 25.662 -33.099 1.00 0.00 H new ATOM 927 N GLU A 61 2.277 19.434 -33.543 1.00 0.00 N ATOM 928 CA GLU A 61 3.375 18.967 -34.375 1.00 0.00 C ATOM 929 C GLU A 61 3.442 17.446 -34.355 1.00 0.00 C ATOM 930 O GLU A 61 3.542 16.807 -35.404 1.00 0.00 O ATOM 931 CB GLU A 61 4.707 19.548 -33.902 1.00 0.00 C ATOM 932 CG GLU A 61 4.823 21.056 -34.056 1.00 0.00 C ATOM 933 CD GLU A 61 6.119 21.587 -33.482 1.00 0.00 C ATOM 934 OE1 GLU A 61 7.184 21.357 -34.093 1.00 0.00 O ATOM 935 OE2 GLU A 61 6.087 22.226 -32.413 1.00 0.00 O ATOM 0 H GLU A 61 2.565 19.943 -32.707 1.00 0.00 H new ATOM 0 HA GLU A 61 3.192 19.306 -35.395 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.850 19.290 -32.853 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.515 19.075 -34.460 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.760 21.318 -35.112 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.982 21.537 -33.557 1.00 0.00 H new ATOM 942 N ASP A 62 3.359 16.875 -33.153 1.00 0.00 N ATOM 943 CA ASP A 62 3.448 15.427 -32.979 1.00 0.00 C ATOM 944 C ASP A 62 2.315 14.706 -33.700 1.00 0.00 C ATOM 945 O ASP A 62 2.550 13.712 -34.384 1.00 0.00 O ATOM 946 CB ASP A 62 3.443 15.054 -31.492 1.00 0.00 C ATOM 947 CG ASP A 62 4.763 15.365 -30.805 1.00 0.00 C ATOM 948 OD1 ASP A 62 4.962 16.525 -30.388 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.599 14.450 -30.670 1.00 0.00 O ATOM 0 H ASP A 62 3.230 17.395 -32.285 1.00 0.00 H new ATOM 0 HA ASP A 62 4.391 15.106 -33.420 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.640 15.593 -30.989 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.226 13.991 -31.389 1.00 0.00 H new ATOM 954 N LEU A 63 1.092 15.213 -33.565 1.00 0.00 N ATOM 955 CA LEU A 63 -0.064 14.569 -34.184 1.00 0.00 C ATOM 956 C LEU A 63 0.039 14.596 -35.704 1.00 0.00 C ATOM 957 O LEU A 63 -0.152 13.574 -36.363 1.00 0.00 O ATOM 958 CB LEU A 63 -1.371 15.236 -33.753 1.00 0.00 C ATOM 959 CG LEU A 63 -1.720 15.122 -32.268 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.133 15.628 -32.022 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.577 13.685 -31.789 1.00 0.00 C ATOM 0 H LEU A 63 0.877 16.059 -33.038 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.069 13.533 -33.846 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.321 16.293 -34.015 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.186 14.803 -34.332 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.023 15.739 -31.701 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.371 15.542 -30.962 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.204 16.672 -32.326 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.839 15.033 -32.601 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.830 13.627 -30.730 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.249 13.043 -32.358 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.549 13.353 -31.935 1.00 0.00 H new ATOM 973 N ALA A 64 0.347 15.764 -36.257 1.00 0.00 N ATOM 974 CA ALA A 64 0.444 15.923 -37.705 1.00 0.00 C ATOM 975 C ALA A 64 1.524 15.014 -38.284 1.00 0.00 C ATOM 976 O ALA A 64 1.332 14.380 -39.330 1.00 0.00 O ATOM 977 CB ALA A 64 0.727 17.375 -38.059 1.00 0.00 C ATOM 0 H ALA A 64 0.534 16.614 -35.726 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.511 15.634 -38.143 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.797 17.479 -39.142 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.081 18.005 -37.686 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.668 17.684 -37.604 1.00 0.00 H new ATOM 983 N GLU A 65 2.650 14.942 -37.586 1.00 0.00 N ATOM 984 CA GLU A 65 3.764 14.114 -38.015 1.00 0.00 C ATOM 985 C GLU A 65 3.401 12.638 -37.900 1.00 0.00 C ATOM 986 O GLU A 65 3.690 11.843 -38.798 1.00 0.00 O ATOM 987 CB GLU A 65 4.998 14.421 -37.170 1.00 0.00 C ATOM 988 CG GLU A 65 6.262 13.757 -37.682 1.00 0.00 C ATOM 989 CD GLU A 65 7.495 14.205 -36.936 1.00 0.00 C ATOM 990 OE1 GLU A 65 8.023 15.294 -37.256 1.00 0.00 O ATOM 991 OE2 GLU A 65 7.958 13.469 -36.042 1.00 0.00 O ATOM 0 H GLU A 65 2.814 15.450 -36.717 1.00 0.00 H new ATOM 0 HA GLU A 65 3.986 14.337 -39.059 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.150 15.500 -37.141 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.817 14.097 -36.145 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.161 12.675 -37.594 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.382 13.981 -38.742 1.00 0.00 H new ATOM 998 N TYR A 66 2.749 12.280 -36.802 1.00 0.00 N ATOM 999 CA TYR A 66 2.368 10.897 -36.563 1.00 0.00 C ATOM 1000 C TYR A 66 1.320 10.435 -37.571 1.00 0.00 C ATOM 1001 O TYR A 66 1.347 9.290 -38.004 1.00 0.00 O ATOM 1002 CB TYR A 66 1.847 10.705 -35.141 1.00 0.00 C ATOM 1003 CG TYR A 66 1.687 9.253 -34.763 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.800 8.459 -34.516 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.429 8.671 -34.670 1.00 0.00 C ATOM 1006 CE1 TYR A 66 2.662 7.130 -34.180 1.00 0.00 C ATOM 1007 CE2 TYR A 66 0.287 7.340 -34.333 1.00 0.00 C ATOM 1008 CZ TYR A 66 1.407 6.577 -34.090 1.00 0.00 C ATOM 1009 OH TYR A 66 1.275 5.257 -33.751 1.00 0.00 O ATOM 0 H TYR A 66 2.474 12.928 -36.064 1.00 0.00 H new ATOM 0 HA TYR A 66 3.263 10.287 -36.687 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.532 11.184 -34.441 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.886 11.209 -35.041 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.788 8.890 -34.588 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.450 9.268 -34.864 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.536 6.525 -33.988 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.697 6.900 -34.260 1.00 0.00 H new ATOM 0 HH TYR A 66 0.633 5.171 -33.015 1.00 0.00 H new ATOM 1019 N TYR A 67 0.398 11.324 -37.937 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.577 11.030 -38.987 1.00 0.00 C ATOM 1021 C TYR A 67 0.135 10.558 -40.246 1.00 0.00 C ATOM 1022 O TYR A 67 -0.268 9.582 -40.883 1.00 0.00 O ATOM 1023 CB TYR A 67 -1.411 12.270 -39.318 1.00 0.00 C ATOM 1024 CG TYR A 67 -2.786 12.291 -38.685 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -2.987 12.808 -37.413 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -3.888 11.800 -39.374 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -4.246 12.830 -36.844 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -5.149 11.818 -38.812 1.00 0.00 C ATOM 1029 CZ TYR A 67 -5.324 12.334 -37.548 1.00 0.00 C ATOM 1030 OH TYR A 67 -6.580 12.352 -36.985 1.00 0.00 O ATOM 0 H TYR A 67 0.305 12.252 -37.523 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.238 10.244 -38.622 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.864 13.156 -38.997 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.522 12.339 -40.400 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.146 13.199 -36.859 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.756 11.397 -40.367 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.386 13.234 -35.852 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.994 11.429 -39.361 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.226 11.967 -37.614 1.00 0.00 H new ATOM 1040 N GLU A 68 1.214 11.247 -40.577 1.00 0.00 N ATOM 1041 CA GLU A 68 1.994 10.939 -41.762 1.00 0.00 C ATOM 1042 C GLU A 68 2.669 9.575 -41.618 1.00 0.00 C ATOM 1043 O GLU A 68 2.519 8.700 -42.476 1.00 0.00 O ATOM 1044 CB GLU A 68 3.049 12.028 -41.965 1.00 0.00 C ATOM 1045 CG GLU A 68 3.655 12.061 -43.354 1.00 0.00 C ATOM 1046 CD GLU A 68 2.700 12.612 -44.390 1.00 0.00 C ATOM 1047 OE1 GLU A 68 2.367 13.814 -44.313 1.00 0.00 O ATOM 1048 OE2 GLU A 68 2.288 11.853 -45.288 1.00 0.00 O ATOM 0 H GLU A 68 1.572 12.032 -40.034 1.00 0.00 H new ATOM 0 HA GLU A 68 1.333 10.904 -42.628 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.598 12.998 -41.756 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.847 11.884 -41.237 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.559 12.670 -43.338 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.954 11.053 -43.640 1.00 0.00 H new ATOM 1055 N GLU A 69 3.381 9.399 -40.514 1.00 0.00 N ATOM 1056 CA GLU A 69 4.162 8.188 -40.274 1.00 0.00 C ATOM 1057 C GLU A 69 3.289 6.961 -40.028 1.00 0.00 C ATOM 1058 O GLU A 69 3.673 5.844 -40.371 1.00 0.00 O ATOM 1059 CB GLU A 69 5.107 8.410 -39.099 1.00 0.00 C ATOM 1060 CG GLU A 69 6.299 9.273 -39.464 1.00 0.00 C ATOM 1061 CD GLU A 69 7.113 8.664 -40.583 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.890 7.727 -40.311 1.00 0.00 O ATOM 1063 OE2 GLU A 69 6.960 9.094 -41.748 1.00 0.00 O ATOM 0 H GLU A 69 3.435 10.086 -39.762 1.00 0.00 H new ATOM 0 HA GLU A 69 4.736 7.987 -41.179 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.560 8.880 -38.281 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.460 7.445 -38.734 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.953 10.262 -39.763 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.932 9.408 -38.587 1.00 0.00 H new ATOM 1070 N ALA A 70 2.121 7.161 -39.435 1.00 0.00 N ATOM 1071 CA ALA A 70 1.215 6.055 -39.159 1.00 0.00 C ATOM 1072 C ALA A 70 0.547 5.562 -40.436 1.00 0.00 C ATOM 1073 O ALA A 70 0.022 4.453 -40.482 1.00 0.00 O ATOM 1074 CB ALA A 70 0.170 6.458 -38.130 1.00 0.00 C ATOM 0 H ALA A 70 1.779 8.075 -39.137 1.00 0.00 H new ATOM 0 HA ALA A 70 1.804 5.235 -38.748 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.496 5.617 -37.939 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.665 6.747 -37.203 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.409 7.300 -38.510 1.00 0.00 H new ATOM 1080 N GLY A 71 0.569 6.386 -41.471 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.018 5.990 -42.731 1.00 0.00 C ATOM 1082 C GLY A 71 -1.475 6.378 -42.812 1.00 0.00 C ATOM 1083 O GLY A 71 -2.279 5.707 -43.461 1.00 0.00 O ATOM 0 H GLY A 71 0.982 7.319 -41.461 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.529 6.456 -43.550 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.079 4.912 -42.855 1.00 0.00 H new ATOM 1087 N ILE A 72 -1.813 7.461 -42.131 1.00 0.00 N ATOM 1088 CA ILE A 72 -3.160 7.984 -42.159 1.00 0.00 C ATOM 1089 C ILE A 72 -3.246 9.044 -43.247 1.00 0.00 C ATOM 1090 O ILE A 72 -2.278 9.271 -43.975 1.00 0.00 O ATOM 1091 CB ILE A 72 -3.565 8.607 -40.799 1.00 0.00 C ATOM 1092 CG1 ILE A 72 -2.814 7.930 -39.646 1.00 0.00 C ATOM 1093 CG2 ILE A 72 -5.069 8.482 -40.584 1.00 0.00 C ATOM 1094 CD1 ILE A 72 -3.177 8.467 -38.276 1.00 0.00 C ATOM 0 H ILE A 72 -1.166 7.994 -41.550 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.846 7.161 -42.362 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.296 9.663 -40.817 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.018 6.860 -39.671 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.742 8.054 -39.801 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.337 8.924 -39.625 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.595 9.003 -41.384 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.351 7.429 -40.590 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.604 7.938 -37.514 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.946 9.531 -38.230 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.242 8.319 -38.097 1.00 0.00 H new ATOM 1106 N HIS A 73 -4.386 9.688 -43.367 1.00 0.00 N ATOM 1107 CA HIS A 73 -4.533 10.760 -44.329 1.00 0.00 C ATOM 1108 C HIS A 73 -4.127 12.070 -43.683 1.00 0.00 C ATOM 1109 O HIS A 73 -4.482 12.323 -42.532 1.00 0.00 O ATOM 1110 CB HIS A 73 -5.968 10.828 -44.856 1.00 0.00 C ATOM 1111 CG HIS A 73 -6.345 9.645 -45.693 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -6.326 9.661 -47.067 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -6.731 8.396 -45.339 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -6.682 8.476 -47.525 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -6.935 7.690 -46.495 1.00 0.00 N ATOM 0 H HIS A 73 -5.220 9.491 -42.815 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.883 10.568 -45.182 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.655 10.902 -44.013 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.089 11.736 -45.446 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.855 8.025 -44.332 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.754 8.197 -48.566 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.234 6.716 -46.551 1.00 0.00 H new ATOM 1124 N PRO A 74 -3.346 12.896 -44.401 1.00 0.00 N ATOM 1125 CA PRO A 74 -2.856 14.174 -43.888 1.00 0.00 C ATOM 1126 C PRO A 74 -3.954 14.991 -43.227 1.00 0.00 C ATOM 1127 O PRO A 74 -5.017 15.211 -43.812 1.00 0.00 O ATOM 1128 CB PRO A 74 -2.338 14.884 -45.135 1.00 0.00 C ATOM 1129 CG PRO A 74 -1.931 13.780 -46.046 1.00 0.00 C ATOM 1130 CD PRO A 74 -2.876 12.641 -45.775 1.00 0.00 C ATOM 0 HA PRO A 74 -2.099 14.038 -43.115 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.109 15.508 -45.586 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.497 15.536 -44.901 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.989 14.094 -47.088 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.899 13.482 -45.860 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.703 12.629 -46.485 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.374 11.677 -45.854 1.00 0.00 H new ATOM 1138 N PRO A 75 -3.711 15.443 -41.990 1.00 0.00 N ATOM 1139 CA PRO A 75 -4.696 16.199 -41.227 1.00 0.00 C ATOM 1140 C PRO A 75 -5.021 17.534 -41.880 1.00 0.00 C ATOM 1141 O PRO A 75 -4.215 18.082 -42.639 1.00 0.00 O ATOM 1142 CB PRO A 75 -4.024 16.409 -39.865 1.00 0.00 C ATOM 1143 CG PRO A 75 -2.568 16.235 -40.119 1.00 0.00 C ATOM 1144 CD PRO A 75 -2.454 15.255 -41.251 1.00 0.00 C ATOM 0 HA PRO A 75 -5.649 15.674 -41.159 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.239 17.401 -39.468 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.385 15.688 -39.132 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.102 17.185 -40.379 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.059 15.863 -39.230 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.585 15.462 -41.876 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.350 14.232 -40.889 1.00 0.00 H new ATOM 1152 N GLU A 76 -6.196 18.054 -41.572 1.00 0.00 N ATOM 1153 CA GLU A 76 -6.629 19.327 -42.114 1.00 0.00 C ATOM 1154 C GLU A 76 -5.855 20.440 -41.428 1.00 0.00 C ATOM 1155 O GLU A 76 -5.419 20.267 -40.289 1.00 0.00 O ATOM 1156 CB GLU A 76 -8.136 19.489 -41.904 1.00 0.00 C ATOM 1157 CG GLU A 76 -8.940 18.371 -42.548 1.00 0.00 C ATOM 1158 CD GLU A 76 -10.423 18.468 -42.265 1.00 0.00 C ATOM 1159 OE1 GLU A 76 -11.094 19.325 -42.873 1.00 0.00 O ATOM 1160 OE2 GLU A 76 -10.929 17.669 -41.448 1.00 0.00 O ATOM 0 H GLU A 76 -6.869 17.611 -40.947 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.432 19.371 -43.185 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.349 19.516 -40.835 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.456 20.446 -42.317 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.780 18.391 -43.626 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.569 17.411 -42.188 1.00 0.00 H new ATOM 1167 N PRO A 77 -5.650 21.577 -42.117 1.00 0.00 N ATOM 1168 CA PRO A 77 -4.798 22.664 -41.632 1.00 0.00 C ATOM 1169 C PRO A 77 -5.075 23.047 -40.190 1.00 0.00 C ATOM 1170 O PRO A 77 -6.220 23.258 -39.786 1.00 0.00 O ATOM 1171 CB PRO A 77 -5.110 23.840 -42.559 1.00 0.00 C ATOM 1172 CG PRO A 77 -6.285 23.409 -43.375 1.00 0.00 C ATOM 1173 CD PRO A 77 -6.237 21.910 -43.418 1.00 0.00 C ATOM 0 HA PRO A 77 -3.751 22.363 -41.646 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.339 24.739 -41.987 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.256 24.075 -43.195 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.217 23.756 -42.929 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.237 23.829 -44.380 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.229 21.475 -43.539 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.626 21.547 -44.244 1.00 0.00 H new ATOM 1181 N ILE A 78 -4.006 23.138 -39.430 1.00 0.00 N ATOM 1182 CA ILE A 78 -4.086 23.448 -38.012 1.00 0.00 C ATOM 1183 C ILE A 78 -3.573 24.854 -37.752 1.00 0.00 C ATOM 1184 O ILE A 78 -2.959 25.470 -38.625 1.00 0.00 O ATOM 1185 CB ILE A 78 -3.269 22.451 -37.160 1.00 0.00 C ATOM 1186 CG1 ILE A 78 -1.806 22.420 -37.619 1.00 0.00 C ATOM 1187 CG2 ILE A 78 -3.892 21.063 -37.224 1.00 0.00 C ATOM 1188 CD1 ILE A 78 -0.914 21.528 -36.780 1.00 0.00 C ATOM 0 H ILE A 78 -3.055 23.000 -39.773 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.135 23.372 -37.724 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.288 22.784 -36.122 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.768 22.083 -38.655 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.409 23.435 -37.600 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.305 20.372 -36.619 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.912 21.104 -36.841 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.906 20.718 -38.258 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.104 21.561 -37.169 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.919 21.877 -35.747 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.284 20.503 -36.819 1.00 0.00 H new ATOM 1200 N ALA A 79 -3.817 25.357 -36.554 1.00 0.00 N ATOM 1201 CA ALA A 79 -3.343 26.674 -36.176 1.00 0.00 C ATOM 1202 C ALA A 79 -1.900 26.590 -35.701 1.00 0.00 C ATOM 1203 O ALA A 79 -1.633 26.493 -34.503 1.00 0.00 O ATOM 1204 CB ALA A 79 -4.229 27.285 -35.099 1.00 0.00 C ATOM 0 H ALA A 79 -4.342 24.871 -35.827 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.389 27.322 -37.051 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.851 28.272 -34.834 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.248 27.375 -35.474 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.223 26.645 -34.217 1.00 0.00 H new ATOM 1210 N ALA A 80 -0.982 26.558 -36.660 1.00 0.00 N ATOM 1211 CA ALA A 80 0.447 26.503 -36.384 1.00 0.00 C ATOM 1212 C ALA A 80 1.227 26.828 -37.649 1.00 0.00 C ATOM 1213 O ALA A 80 1.203 26.062 -38.616 1.00 0.00 O ATOM 1214 CB ALA A 80 0.841 25.127 -35.861 1.00 0.00 C ATOM 0 H ALA A 80 -1.210 26.570 -37.654 1.00 0.00 H new ATOM 0 HA ALA A 80 0.684 27.240 -35.617 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.912 25.107 -35.661 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.296 24.918 -34.940 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.597 24.371 -36.607 1.00 0.00 H new ATOM 1220 N ALA A 81 1.901 27.966 -37.648 1.00 0.00 N ATOM 1221 CA ALA A 81 2.664 28.404 -38.809 1.00 0.00 C ATOM 1222 C ALA A 81 4.156 28.319 -38.533 1.00 0.00 C ATOM 1223 O ALA A 81 4.945 27.963 -39.413 1.00 0.00 O ATOM 1224 CB ALA A 81 2.278 29.825 -39.196 1.00 0.00 C ATOM 0 H ALA A 81 1.936 28.606 -36.855 1.00 0.00 H new ATOM 0 HA ALA A 81 2.429 27.741 -39.642 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.858 30.136 -40.065 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.216 29.861 -39.437 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.484 30.498 -38.363 1.00 0.00 H new ATOM 1230 N ALA A 82 4.532 28.641 -37.304 1.00 0.00 N ATOM 1231 CA ALA A 82 5.921 28.621 -36.886 1.00 0.00 C ATOM 1232 C ALA A 82 6.005 28.566 -35.371 1.00 0.00 C ATOM 1233 O ALA A 82 6.152 27.458 -34.827 1.00 0.00 O ATOM 1234 CB ALA A 82 6.663 29.841 -37.413 1.00 0.00 C ATOM 1235 OXT ALA A 82 5.882 29.633 -34.731 1.00 0.00 O ATOM 0 H ALA A 82 3.881 28.923 -36.571 1.00 0.00 H new ATOM 0 HA ALA A 82 6.395 27.731 -37.301 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.702 29.804 -37.087 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.625 29.848 -38.502 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.194 30.746 -37.028 1.00 0.00 H new TER 1241 ALA A 82 HETATM 1242 ZN ZN A 83 -4.060 -2.827 -18.384 1.00 0.00 ZN