USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 541 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 162:sc= -0.132 (180deg=-0.497) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.145 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00887 K(o=-0.0089,f=-1) USER MOD Single : A 28 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.8) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -103:sc= 0.0378 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.098 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.556 K(o=-0.56,f=-0.033) USER MOD Single : A 71 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.68) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.071 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.757 14.383 -30.369 1.00 0.00 N ATOM 2 CA GLY A 1 -42.236 13.079 -30.735 1.00 0.00 C ATOM 3 C GLY A 1 -40.728 12.998 -30.599 1.00 0.00 C ATOM 4 O GLY A 1 -40.042 12.517 -31.501 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.791 14.387 -30.479 1.00 0.00 H new ATOM 0 H2 GLY A 1 -42.513 14.589 -29.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 -42.340 15.109 -30.986 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -42.696 12.318 -30.105 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.518 12.854 -31.764 1.00 0.00 H new ATOM 8 N SER A 2 -40.211 13.470 -29.469 1.00 0.00 N ATOM 9 CA SER A 2 -38.774 13.454 -29.221 1.00 0.00 C ATOM 10 C SER A 2 -38.380 12.235 -28.393 1.00 0.00 C ATOM 11 O SER A 2 -39.001 11.936 -27.373 1.00 0.00 O ATOM 12 CB SER A 2 -38.345 14.734 -28.501 1.00 0.00 C ATOM 13 OG SER A 2 -38.745 15.884 -29.225 1.00 0.00 O ATOM 0 H SER A 2 -40.766 13.868 -28.711 1.00 0.00 H new ATOM 0 HA SER A 2 -38.264 13.399 -30.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.783 14.758 -27.503 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.262 14.738 -28.374 1.00 0.00 H new ATOM 0 HG SER A 2 -38.461 16.689 -28.744 1.00 0.00 H new ATOM 19 N SER A 3 -37.343 11.534 -28.840 1.00 0.00 N ATOM 20 CA SER A 3 -36.867 10.345 -28.143 1.00 0.00 C ATOM 21 C SER A 3 -35.571 10.637 -27.393 1.00 0.00 C ATOM 22 O SER A 3 -34.657 11.263 -27.929 1.00 0.00 O ATOM 23 CB SER A 3 -36.648 9.200 -29.135 1.00 0.00 C ATOM 24 OG SER A 3 -35.962 8.121 -28.525 1.00 0.00 O ATOM 0 H SER A 3 -36.817 11.769 -29.681 1.00 0.00 H new ATOM 0 HA SER A 3 -37.627 10.050 -27.419 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.610 8.855 -29.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.077 9.560 -29.991 1.00 0.00 H new ATOM 0 HG SER A 3 -35.836 7.402 -29.179 1.00 0.00 H new ATOM 30 N GLY A 4 -35.499 10.177 -26.147 1.00 0.00 N ATOM 31 CA GLY A 4 -34.311 10.399 -25.342 1.00 0.00 C ATOM 32 C GLY A 4 -34.295 9.549 -24.087 1.00 0.00 C ATOM 33 O GLY A 4 -34.856 9.935 -23.061 1.00 0.00 O ATOM 0 H GLY A 4 -36.241 9.655 -25.681 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.425 10.178 -25.938 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.255 11.452 -25.065 1.00 0.00 H new ATOM 37 N SER A 5 -33.653 8.388 -24.168 1.00 0.00 N ATOM 38 CA SER A 5 -33.571 7.479 -23.031 1.00 0.00 C ATOM 39 C SER A 5 -32.600 6.338 -23.317 1.00 0.00 C ATOM 40 O SER A 5 -32.798 5.558 -24.248 1.00 0.00 O ATOM 41 CB SER A 5 -34.955 6.916 -22.701 1.00 0.00 C ATOM 42 OG SER A 5 -34.927 6.168 -21.497 1.00 0.00 O ATOM 0 H SER A 5 -33.182 8.055 -25.009 1.00 0.00 H new ATOM 0 HA SER A 5 -33.201 8.041 -22.173 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.671 7.733 -22.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.298 6.282 -23.519 1.00 0.00 H new ATOM 0 HG SER A 5 -35.823 5.820 -21.307 1.00 0.00 H new ATOM 48 N SER A 6 -31.549 6.247 -22.508 1.00 0.00 N ATOM 49 CA SER A 6 -30.544 5.204 -22.675 1.00 0.00 C ATOM 50 C SER A 6 -29.691 5.064 -21.418 1.00 0.00 C ATOM 51 O SER A 6 -29.675 5.950 -20.564 1.00 0.00 O ATOM 52 CB SER A 6 -29.651 5.514 -23.878 1.00 0.00 C ATOM 53 OG SER A 6 -28.650 4.524 -24.040 1.00 0.00 O ATOM 0 H SER A 6 -31.372 6.883 -21.731 1.00 0.00 H new ATOM 0 HA SER A 6 -31.062 4.261 -22.849 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.259 5.572 -24.781 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.184 6.490 -23.746 1.00 0.00 H new ATOM 0 HG SER A 6 -28.094 4.745 -24.816 1.00 0.00 H new ATOM 59 N GLY A 7 -28.984 3.943 -21.311 1.00 0.00 N ATOM 60 CA GLY A 7 -28.139 3.706 -20.155 1.00 0.00 C ATOM 61 C GLY A 7 -28.888 3.047 -19.015 1.00 0.00 C ATOM 62 O GLY A 7 -29.710 3.681 -18.353 1.00 0.00 O ATOM 0 H GLY A 7 -28.981 3.195 -22.004 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.299 3.076 -20.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.723 4.653 -19.813 1.00 0.00 H new ATOM 66 N LYS A 8 -28.606 1.769 -18.784 1.00 0.00 N ATOM 67 CA LYS A 8 -29.259 1.022 -17.716 1.00 0.00 C ATOM 68 C LYS A 8 -28.265 0.668 -16.614 1.00 0.00 C ATOM 69 O LYS A 8 -28.485 0.979 -15.443 1.00 0.00 O ATOM 70 CB LYS A 8 -29.895 -0.254 -18.273 1.00 0.00 C ATOM 71 CG LYS A 8 -31.121 0.003 -19.131 1.00 0.00 C ATOM 72 CD LYS A 8 -32.375 0.147 -18.284 1.00 0.00 C ATOM 73 CE LYS A 8 -33.541 0.682 -19.101 1.00 0.00 C ATOM 74 NZ LYS A 8 -34.640 1.189 -18.233 1.00 0.00 N ATOM 0 H LYS A 8 -27.929 1.229 -19.323 1.00 0.00 H new ATOM 0 HA LYS A 8 -30.039 1.653 -17.289 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -29.154 -0.791 -18.865 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -30.172 -0.904 -17.443 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -30.972 0.909 -19.718 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -31.250 -0.817 -19.837 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -32.641 -0.821 -17.859 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -32.176 0.819 -17.449 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -33.191 1.485 -19.750 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -33.924 -0.107 -19.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -35.416 1.545 -18.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -34.991 0.417 -17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -34.282 1.960 -17.634 1.00 0.00 H new ATOM 88 N ASP A 9 -27.172 0.017 -16.996 1.00 0.00 N ATOM 89 CA ASP A 9 -26.143 -0.377 -16.040 1.00 0.00 C ATOM 90 C ASP A 9 -25.070 0.701 -15.921 1.00 0.00 C ATOM 91 O ASP A 9 -24.797 1.428 -16.877 1.00 0.00 O ATOM 92 CB ASP A 9 -25.508 -1.703 -16.461 1.00 0.00 C ATOM 93 CG ASP A 9 -24.671 -1.571 -17.718 1.00 0.00 C ATOM 94 OD1 ASP A 9 -25.181 -1.017 -18.715 1.00 0.00 O ATOM 95 OD2 ASP A 9 -23.507 -2.021 -17.706 1.00 0.00 O ATOM 0 H ASP A 9 -26.975 -0.249 -17.961 1.00 0.00 H new ATOM 0 HA ASP A 9 -26.615 -0.502 -15.066 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -24.883 -2.077 -15.650 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.292 -2.442 -16.626 1.00 0.00 H new ATOM 100 N PHE A 10 -24.466 0.799 -14.742 1.00 0.00 N ATOM 101 CA PHE A 10 -23.424 1.790 -14.497 1.00 0.00 C ATOM 102 C PHE A 10 -22.061 1.120 -14.349 1.00 0.00 C ATOM 103 O PHE A 10 -21.125 1.420 -15.092 1.00 0.00 O ATOM 104 CB PHE A 10 -23.746 2.600 -13.240 1.00 0.00 C ATOM 105 CG PHE A 10 -24.549 1.837 -12.225 1.00 0.00 C ATOM 106 CD1 PHE A 10 -25.859 1.472 -12.490 1.00 0.00 C ATOM 107 CD2 PHE A 10 -23.993 1.486 -11.005 1.00 0.00 C ATOM 108 CE1 PHE A 10 -26.600 0.770 -11.559 1.00 0.00 C ATOM 109 CE2 PHE A 10 -24.730 0.784 -10.070 1.00 0.00 C ATOM 110 CZ PHE A 10 -26.035 0.426 -10.346 1.00 0.00 C ATOM 0 H PHE A 10 -24.680 0.205 -13.941 1.00 0.00 H new ATOM 0 HA PHE A 10 -23.388 2.462 -15.354 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -22.814 2.930 -12.781 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -24.295 3.497 -13.526 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -26.306 1.740 -13.436 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -22.973 1.764 -10.783 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -27.620 0.490 -11.779 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -24.285 0.515 -9.123 1.00 0.00 H new ATOM 0 HZ PHE A 10 -26.612 -0.121 -9.616 1.00 0.00 H new ATOM 120 N LEU A 11 -21.956 0.213 -13.385 1.00 0.00 N ATOM 121 CA LEU A 11 -20.708 -0.500 -13.138 1.00 0.00 C ATOM 122 C LEU A 11 -20.944 -2.006 -13.071 1.00 0.00 C ATOM 123 O LEU A 11 -20.408 -2.765 -13.877 1.00 0.00 O ATOM 124 CB LEU A 11 -20.069 -0.014 -11.835 1.00 0.00 C ATOM 125 CG LEU A 11 -19.069 1.135 -11.966 1.00 0.00 C ATOM 126 CD1 LEU A 11 -19.796 2.469 -12.045 1.00 0.00 C ATOM 127 CD2 LEU A 11 -18.092 1.127 -10.800 1.00 0.00 C ATOM 0 H LEU A 11 -22.720 -0.046 -12.761 1.00 0.00 H new ATOM 0 HA LEU A 11 -20.031 -0.294 -13.967 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.864 0.298 -11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -19.563 -0.857 -11.365 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.505 0.997 -12.888 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.068 3.275 -12.138 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.455 2.473 -12.913 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.386 2.616 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.388 1.952 -10.910 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -18.641 1.240 -9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -17.547 0.183 -10.789 1.00 0.00 H new ATOM 139 N ALA A 12 -21.753 -2.430 -12.105 1.00 0.00 N ATOM 140 CA ALA A 12 -22.064 -3.844 -11.936 1.00 0.00 C ATOM 141 C ALA A 12 -20.800 -4.695 -11.998 1.00 0.00 C ATOM 142 O ALA A 12 -20.759 -5.710 -12.693 1.00 0.00 O ATOM 143 CB ALA A 12 -23.060 -4.295 -12.993 1.00 0.00 C ATOM 0 H ALA A 12 -22.204 -1.815 -11.428 1.00 0.00 H new ATOM 0 HA ALA A 12 -22.512 -3.978 -10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.283 -5.353 -12.855 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.978 -3.715 -12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -22.634 -4.141 -13.984 1.00 0.00 H new ATOM 149 N MET A 13 -19.772 -4.275 -11.269 1.00 0.00 N ATOM 150 CA MET A 13 -18.508 -5.000 -11.242 1.00 0.00 C ATOM 151 C MET A 13 -17.923 -5.022 -9.833 1.00 0.00 C ATOM 152 O MET A 13 -17.622 -3.975 -9.259 1.00 0.00 O ATOM 153 CB MET A 13 -17.509 -4.364 -12.211 1.00 0.00 C ATOM 154 CG MET A 13 -17.783 -4.695 -13.669 1.00 0.00 C ATOM 155 SD MET A 13 -16.287 -4.685 -14.676 1.00 0.00 S ATOM 156 CE MET A 13 -16.369 -3.043 -15.388 1.00 0.00 C ATOM 0 H MET A 13 -19.790 -3.436 -10.689 1.00 0.00 H new ATOM 0 HA MET A 13 -18.701 -6.027 -11.552 1.00 0.00 H new ATOM 0 HB2 MET A 13 -17.529 -3.282 -12.082 1.00 0.00 H new ATOM 0 HB3 MET A 13 -16.503 -4.697 -11.954 1.00 0.00 H new ATOM 0 HG2 MET A 13 -18.253 -5.677 -13.733 1.00 0.00 H new ATOM 0 HG3 MET A 13 -18.494 -3.975 -14.074 1.00 0.00 H new ATOM 0 HE1 MET A 13 -15.509 -2.885 -16.038 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.286 -2.944 -15.969 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.362 -2.300 -14.591 1.00 0.00 H new ATOM 166 N PHE A 14 -17.766 -6.221 -9.281 1.00 0.00 N ATOM 167 CA PHE A 14 -17.218 -6.378 -7.938 1.00 0.00 C ATOM 168 C PHE A 14 -15.847 -7.045 -7.985 1.00 0.00 C ATOM 169 O PHE A 14 -15.515 -7.868 -7.132 1.00 0.00 O ATOM 170 CB PHE A 14 -18.170 -7.204 -7.070 1.00 0.00 C ATOM 171 CG PHE A 14 -18.695 -8.432 -7.758 1.00 0.00 C ATOM 172 CD1 PHE A 14 -17.929 -9.586 -7.823 1.00 0.00 C ATOM 173 CD2 PHE A 14 -19.953 -8.434 -8.337 1.00 0.00 C ATOM 174 CE1 PHE A 14 -18.410 -10.717 -8.456 1.00 0.00 C ATOM 175 CE2 PHE A 14 -20.439 -9.562 -8.971 1.00 0.00 C ATOM 176 CZ PHE A 14 -19.666 -10.706 -9.029 1.00 0.00 C ATOM 0 H PHE A 14 -18.010 -7.097 -9.742 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.105 -5.386 -7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.652 -7.501 -6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.010 -6.578 -6.769 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.947 -9.601 -7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.562 -7.543 -8.293 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -17.803 -11.609 -8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.421 -9.549 -9.420 1.00 0.00 H new ATOM 0 HZ PHE A 14 -20.044 -11.590 -9.522 1.00 0.00 H new ATOM 186 N SER A 15 -15.053 -6.683 -8.988 1.00 0.00 N ATOM 187 CA SER A 15 -13.719 -7.248 -9.150 1.00 0.00 C ATOM 188 C SER A 15 -12.766 -6.225 -9.761 1.00 0.00 C ATOM 189 O SER A 15 -13.138 -5.430 -10.623 1.00 0.00 O ATOM 190 CB SER A 15 -13.775 -8.499 -10.029 1.00 0.00 C ATOM 191 OG SER A 15 -12.569 -8.667 -10.754 1.00 0.00 O ATOM 0 H SER A 15 -15.311 -6.001 -9.701 1.00 0.00 H new ATOM 0 HA SER A 15 -13.345 -7.523 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.955 -9.376 -9.408 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.612 -8.423 -10.723 1.00 0.00 H new ATOM 0 HG SER A 15 -12.629 -9.474 -11.307 1.00 0.00 H new ATOM 197 N PRO A 16 -11.505 -6.246 -9.304 1.00 0.00 N ATOM 198 CA PRO A 16 -10.471 -5.328 -9.791 1.00 0.00 C ATOM 199 C PRO A 16 -10.059 -5.629 -11.228 1.00 0.00 C ATOM 200 O PRO A 16 -10.709 -6.412 -11.920 1.00 0.00 O ATOM 201 CB PRO A 16 -9.300 -5.573 -8.836 1.00 0.00 C ATOM 202 CG PRO A 16 -9.503 -6.962 -8.338 1.00 0.00 C ATOM 203 CD PRO A 16 -10.991 -7.167 -8.276 1.00 0.00 C ATOM 0 HA PRO A 16 -10.817 -4.295 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.343 -5.472 -9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.300 -4.854 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.037 -7.687 -9.005 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.050 -7.094 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.264 -8.200 -8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.389 -6.930 -7.289 1.00 0.00 H new ATOM 211 N LYS A 17 -8.974 -5.003 -11.671 1.00 0.00 N ATOM 212 CA LYS A 17 -8.473 -5.204 -13.026 1.00 0.00 C ATOM 213 C LYS A 17 -6.950 -5.273 -13.038 1.00 0.00 C ATOM 214 O LYS A 17 -6.292 -4.856 -12.083 1.00 0.00 O ATOM 215 CB LYS A 17 -8.951 -4.075 -13.942 1.00 0.00 C ATOM 216 CG LYS A 17 -10.399 -3.677 -13.712 1.00 0.00 C ATOM 217 CD LYS A 17 -10.982 -2.971 -14.924 1.00 0.00 C ATOM 218 CE LYS A 17 -11.621 -3.956 -15.890 1.00 0.00 C ATOM 219 NZ LYS A 17 -12.955 -4.415 -15.412 1.00 0.00 N ATOM 0 H LYS A 17 -8.424 -4.352 -11.111 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.865 -6.152 -13.394 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.315 -3.203 -13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.828 -4.384 -14.980 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.990 -4.565 -13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.464 -3.023 -12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.726 -2.244 -14.599 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.196 -2.416 -15.436 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.727 -3.488 -16.869 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.965 -4.817 -16.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.485 -4.828 -16.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.830 -5.132 -14.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.483 -3.606 -15.027 1.00 0.00 H new ATOM 233 N CYS A 18 -6.394 -5.799 -14.124 1.00 0.00 N ATOM 234 CA CYS A 18 -4.948 -5.920 -14.261 1.00 0.00 C ATOM 235 C CYS A 18 -4.301 -4.550 -14.443 1.00 0.00 C ATOM 236 O CYS A 18 -4.846 -3.680 -15.121 1.00 0.00 O ATOM 237 CB CYS A 18 -4.601 -6.822 -15.448 1.00 0.00 C ATOM 238 SG CYS A 18 -3.011 -6.425 -16.243 1.00 0.00 S ATOM 0 H CYS A 18 -6.924 -6.149 -14.923 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.558 -6.367 -13.347 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.577 -7.858 -15.109 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.395 -6.748 -16.191 1.00 0.00 H new ATOM 243 N GLY A 19 -3.134 -4.366 -13.832 1.00 0.00 N ATOM 244 CA GLY A 19 -2.433 -3.101 -13.939 1.00 0.00 C ATOM 245 C GLY A 19 -1.694 -2.957 -15.255 1.00 0.00 C ATOM 246 O GLY A 19 -0.590 -2.415 -15.300 1.00 0.00 O ATOM 0 H GLY A 19 -2.662 -5.071 -13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.147 -2.284 -13.835 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.724 -3.011 -13.116 1.00 0.00 H new ATOM 250 N GLY A 20 -2.305 -3.444 -16.331 1.00 0.00 N ATOM 251 CA GLY A 20 -1.682 -3.359 -17.640 1.00 0.00 C ATOM 252 C GLY A 20 -2.699 -3.263 -18.760 1.00 0.00 C ATOM 253 O GLY A 20 -2.598 -2.395 -19.627 1.00 0.00 O ATOM 0 H GLY A 20 -3.220 -3.896 -16.320 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.028 -2.488 -17.672 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.054 -4.236 -17.798 1.00 0.00 H new ATOM 257 N CYS A 21 -3.680 -4.159 -18.744 1.00 0.00 N ATOM 258 CA CYS A 21 -4.719 -4.175 -19.767 1.00 0.00 C ATOM 259 C CYS A 21 -6.015 -3.570 -19.236 1.00 0.00 C ATOM 260 O CYS A 21 -6.948 -3.312 -19.995 1.00 0.00 O ATOM 261 CB CYS A 21 -4.970 -5.606 -20.247 1.00 0.00 C ATOM 262 SG CYS A 21 -3.490 -6.668 -20.225 1.00 0.00 S ATOM 0 H CYS A 21 -3.777 -4.884 -18.033 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.375 -3.572 -20.608 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.738 -6.059 -19.620 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.366 -5.573 -21.262 1.00 0.00 H new ATOM 267 N ASN A 22 -6.064 -3.345 -17.927 1.00 0.00 N ATOM 268 CA ASN A 22 -7.245 -2.771 -17.293 1.00 0.00 C ATOM 269 C ASN A 22 -8.439 -3.713 -17.412 1.00 0.00 C ATOM 270 O ASN A 22 -9.590 -3.279 -17.387 1.00 0.00 O ATOM 271 CB ASN A 22 -7.583 -1.420 -17.926 1.00 0.00 C ATOM 272 CG ASN A 22 -6.445 -0.424 -17.806 1.00 0.00 C ATOM 273 OD1 ASN A 22 -5.509 -0.625 -17.032 1.00 0.00 O ATOM 274 ND2 ASN A 22 -6.521 0.657 -18.574 1.00 0.00 N ATOM 0 H ASN A 22 -5.299 -3.552 -17.285 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.024 -2.625 -16.236 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.825 -1.566 -18.979 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.473 -1.010 -17.448 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.785 1.362 -18.537 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.316 0.782 -19.201 1.00 0.00 H new ATOM 281 N ARG A 23 -8.155 -5.005 -17.541 1.00 0.00 N ATOM 282 CA ARG A 23 -9.205 -6.009 -17.664 1.00 0.00 C ATOM 283 C ARG A 23 -9.467 -6.689 -16.323 1.00 0.00 C ATOM 284 O ARG A 23 -8.594 -6.772 -15.460 1.00 0.00 O ATOM 285 CB ARG A 23 -8.818 -7.056 -18.711 1.00 0.00 C ATOM 286 CG ARG A 23 -8.621 -6.480 -20.104 1.00 0.00 C ATOM 287 CD ARG A 23 -8.797 -7.544 -21.176 1.00 0.00 C ATOM 288 NE ARG A 23 -7.660 -8.460 -21.229 1.00 0.00 N ATOM 289 CZ ARG A 23 -7.282 -9.100 -22.330 1.00 0.00 C ATOM 290 NH1 ARG A 23 -7.946 -8.923 -23.465 1.00 0.00 N ATOM 291 NH2 ARG A 23 -6.238 -9.917 -22.299 1.00 0.00 N ATOM 0 H ARG A 23 -7.207 -5.381 -17.563 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.118 -5.506 -17.982 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.898 -7.549 -18.397 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.592 -7.822 -18.750 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.335 -5.673 -20.270 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.625 -6.045 -20.182 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.709 -8.109 -20.980 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.921 -7.064 -22.147 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.127 -8.617 -20.374 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.749 -8.294 -23.494 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.654 -9.416 -24.309 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.724 -10.055 -21.429 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.949 -10.408 -23.145 1.00 0.00 H new ATOM 305 N PRO A 24 -10.700 -7.186 -16.143 1.00 0.00 N ATOM 306 CA PRO A 24 -11.106 -7.867 -14.910 1.00 0.00 C ATOM 307 C PRO A 24 -10.429 -9.223 -14.746 1.00 0.00 C ATOM 308 O PRO A 24 -10.496 -10.073 -15.634 1.00 0.00 O ATOM 309 CB PRO A 24 -12.617 -8.041 -15.083 1.00 0.00 C ATOM 310 CG PRO A 24 -12.832 -8.045 -16.557 1.00 0.00 C ATOM 311 CD PRO A 24 -11.791 -7.123 -17.130 1.00 0.00 C ATOM 0 HA PRO A 24 -10.827 -7.301 -14.021 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.963 -8.970 -14.630 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.166 -7.230 -14.605 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.729 -9.051 -16.964 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.836 -7.702 -16.806 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.461 -7.452 -18.115 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.172 -6.108 -17.244 1.00 0.00 H new ATOM 319 N VAL A 25 -9.776 -9.419 -13.605 1.00 0.00 N ATOM 320 CA VAL A 25 -9.087 -10.673 -13.324 1.00 0.00 C ATOM 321 C VAL A 25 -9.827 -11.481 -12.264 1.00 0.00 C ATOM 322 O VAL A 25 -10.213 -10.951 -11.221 1.00 0.00 O ATOM 323 CB VAL A 25 -7.643 -10.426 -12.850 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.702 -10.310 -14.040 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.573 -9.179 -11.982 1.00 0.00 C ATOM 0 H VAL A 25 -9.710 -8.725 -12.860 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.064 -11.237 -14.256 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.326 -11.278 -12.249 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.686 -10.136 -13.685 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.731 -11.234 -14.618 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.014 -9.477 -14.671 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.545 -9.020 -11.656 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.909 -8.316 -12.557 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.215 -9.306 -11.110 1.00 0.00 H new ATOM 335 N LEU A 26 -10.022 -12.766 -12.537 1.00 0.00 N ATOM 336 CA LEU A 26 -10.716 -13.649 -11.606 1.00 0.00 C ATOM 337 C LEU A 26 -9.859 -14.864 -11.266 1.00 0.00 C ATOM 338 O LEU A 26 -9.577 -15.128 -10.097 1.00 0.00 O ATOM 339 CB LEU A 26 -12.050 -14.103 -12.201 1.00 0.00 C ATOM 340 CG LEU A 26 -12.963 -12.995 -12.726 1.00 0.00 C ATOM 341 CD1 LEU A 26 -13.860 -13.522 -13.835 1.00 0.00 C ATOM 342 CD2 LEU A 26 -13.797 -12.411 -11.595 1.00 0.00 C ATOM 0 H LEU A 26 -9.709 -13.220 -13.395 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.905 -13.092 -10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.844 -14.794 -13.018 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.593 -14.663 -11.439 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.339 -12.202 -13.138 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.503 -12.719 -14.196 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.245 -13.891 -14.656 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.476 -14.334 -13.449 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.441 -11.624 -11.987 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.411 -13.196 -11.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.137 -11.995 -10.834 1.00 0.00 H new ATOM 354 N GLU A 27 -9.445 -15.597 -12.294 1.00 0.00 N ATOM 355 CA GLU A 27 -8.618 -16.783 -12.103 1.00 0.00 C ATOM 356 C GLU A 27 -7.160 -16.490 -12.446 1.00 0.00 C ATOM 357 O GLU A 27 -6.858 -15.527 -13.149 1.00 0.00 O ATOM 358 CB GLU A 27 -9.135 -17.937 -12.965 1.00 0.00 C ATOM 359 CG GLU A 27 -9.324 -17.567 -14.427 1.00 0.00 C ATOM 360 CD GLU A 27 -9.574 -18.776 -15.307 1.00 0.00 C ATOM 361 OE1 GLU A 27 -10.700 -19.314 -15.269 1.00 0.00 O ATOM 362 OE2 GLU A 27 -8.644 -19.184 -16.033 1.00 0.00 O ATOM 0 H GLU A 27 -9.668 -15.391 -13.268 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.676 -17.070 -11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.437 -18.771 -12.897 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.086 -18.284 -12.561 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.163 -16.877 -14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.438 -17.041 -14.782 1.00 0.00 H new ATOM 369 N ASN A 28 -6.260 -17.329 -11.942 1.00 0.00 N ATOM 370 CA ASN A 28 -4.834 -17.161 -12.194 1.00 0.00 C ATOM 371 C ASN A 28 -4.443 -15.687 -12.145 1.00 0.00 C ATOM 372 O ASN A 28 -3.773 -15.181 -13.045 1.00 0.00 O ATOM 373 CB ASN A 28 -4.461 -17.754 -13.554 1.00 0.00 C ATOM 374 CG ASN A 28 -4.643 -19.259 -13.598 1.00 0.00 C ATOM 375 OD1 ASN A 28 -5.115 -19.866 -12.637 1.00 0.00 O ATOM 376 ND2 ASN A 28 -4.268 -19.867 -14.717 1.00 0.00 N ATOM 0 H ASN A 28 -6.493 -18.131 -11.357 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.288 -17.690 -11.413 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.074 -17.294 -14.329 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.424 -17.509 -13.782 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.366 -20.878 -14.805 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.882 -19.323 -15.488 1.00 0.00 H new ATOM 383 N TYR A 29 -4.867 -15.003 -11.087 1.00 0.00 N ATOM 384 CA TYR A 29 -4.563 -13.587 -10.921 1.00 0.00 C ATOM 385 C TYR A 29 -3.565 -13.373 -9.787 1.00 0.00 C ATOM 386 O TYR A 29 -3.590 -14.081 -8.780 1.00 0.00 O ATOM 387 CB TYR A 29 -5.844 -12.798 -10.644 1.00 0.00 C ATOM 388 CG TYR A 29 -6.301 -12.871 -9.205 1.00 0.00 C ATOM 389 CD1 TYR A 29 -5.854 -11.950 -8.265 1.00 0.00 C ATOM 390 CD2 TYR A 29 -7.180 -13.862 -8.784 1.00 0.00 C ATOM 391 CE1 TYR A 29 -6.268 -12.014 -6.949 1.00 0.00 C ATOM 392 CE2 TYR A 29 -7.601 -13.932 -7.470 1.00 0.00 C ATOM 393 CZ TYR A 29 -7.142 -13.006 -6.556 1.00 0.00 C ATOM 394 OH TYR A 29 -7.558 -13.073 -5.246 1.00 0.00 O ATOM 0 H TYR A 29 -5.422 -15.407 -10.332 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.115 -13.227 -11.847 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.683 -11.754 -10.913 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.639 -13.174 -11.288 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.171 -11.171 -8.569 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.540 -14.590 -9.496 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.909 -11.291 -6.231 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.286 -14.707 -7.160 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.172 -13.829 -5.136 1.00 0.00 H new ATOM 404 N LEU A 30 -2.688 -12.390 -9.958 1.00 0.00 N ATOM 405 CA LEU A 30 -1.680 -12.080 -8.949 1.00 0.00 C ATOM 406 C LEU A 30 -2.112 -10.891 -8.096 1.00 0.00 C ATOM 407 O LEU A 30 -3.082 -10.204 -8.416 1.00 0.00 O ATOM 408 CB LEU A 30 -0.337 -11.783 -9.616 1.00 0.00 C ATOM 409 CG LEU A 30 0.000 -12.620 -10.851 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.701 -12.065 -12.080 1.00 0.00 C ATOM 411 CD2 LEU A 30 1.505 -12.668 -11.069 1.00 0.00 C ATOM 0 H LEU A 30 -2.654 -11.794 -10.785 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.571 -12.949 -8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.320 -10.731 -9.900 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.452 -11.927 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.355 -13.637 -10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.449 -12.674 -12.948 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.780 -12.085 -11.924 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.378 -11.038 -12.251 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.726 -13.268 -11.952 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.884 -11.656 -11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.985 -13.114 -10.198 1.00 0.00 H new ATOM 423 N SER A 31 -1.383 -10.653 -7.011 1.00 0.00 N ATOM 424 CA SER A 31 -1.691 -9.548 -6.110 1.00 0.00 C ATOM 425 C SER A 31 -0.423 -8.792 -5.725 1.00 0.00 C ATOM 426 O SER A 31 0.310 -9.205 -4.828 1.00 0.00 O ATOM 427 CB SER A 31 -2.391 -10.066 -4.853 1.00 0.00 C ATOM 428 OG SER A 31 -3.798 -10.081 -5.022 1.00 0.00 O ATOM 0 H SER A 31 -0.575 -11.210 -6.734 1.00 0.00 H new ATOM 0 HA SER A 31 -2.358 -8.862 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.038 -11.072 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.130 -9.436 -4.002 1.00 0.00 H new ATOM 0 HG SER A 31 -4.222 -10.418 -4.205 1.00 0.00 H new ATOM 434 N ALA A 32 -0.172 -7.681 -6.411 1.00 0.00 N ATOM 435 CA ALA A 32 1.005 -6.865 -6.140 1.00 0.00 C ATOM 436 C ALA A 32 0.631 -5.394 -5.995 1.00 0.00 C ATOM 437 O ALA A 32 -0.400 -4.953 -6.501 1.00 0.00 O ATOM 438 CB ALA A 32 2.036 -7.044 -7.244 1.00 0.00 C ATOM 0 H ALA A 32 -0.768 -7.326 -7.158 1.00 0.00 H new ATOM 0 HA ALA A 32 1.438 -7.197 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.910 -6.429 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.334 -8.091 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.604 -6.740 -8.198 1.00 0.00 H new ATOM 444 N MET A 33 1.477 -4.639 -5.301 1.00 0.00 N ATOM 445 CA MET A 33 1.235 -3.217 -5.090 1.00 0.00 C ATOM 446 C MET A 33 -0.201 -2.970 -4.640 1.00 0.00 C ATOM 447 O MET A 33 -0.861 -2.047 -5.117 1.00 0.00 O ATOM 448 CB MET A 33 1.521 -2.434 -6.373 1.00 0.00 C ATOM 449 CG MET A 33 2.945 -2.598 -6.880 1.00 0.00 C ATOM 450 SD MET A 33 3.324 -1.492 -8.254 1.00 0.00 S ATOM 451 CE MET A 33 4.807 -2.258 -8.904 1.00 0.00 C ATOM 0 H MET A 33 2.336 -4.989 -4.876 1.00 0.00 H new ATOM 0 HA MET A 33 1.907 -2.872 -4.304 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.828 -2.759 -7.149 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.327 -1.376 -6.194 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.642 -2.409 -6.063 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.098 -3.630 -7.196 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.165 -1.688 -9.761 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.576 -2.274 -8.132 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.583 -3.279 -9.215 1.00 0.00 H new ATOM 461 N ASP A 34 -0.679 -3.802 -3.721 1.00 0.00 N ATOM 462 CA ASP A 34 -2.038 -3.673 -3.206 1.00 0.00 C ATOM 463 C ASP A 34 -3.056 -3.719 -4.341 1.00 0.00 C ATOM 464 O ASP A 34 -4.141 -3.146 -4.241 1.00 0.00 O ATOM 465 CB ASP A 34 -2.188 -2.368 -2.422 1.00 0.00 C ATOM 466 CG ASP A 34 -1.779 -2.515 -0.970 1.00 0.00 C ATOM 467 OD1 ASP A 34 -2.209 -3.497 -0.328 1.00 0.00 O ATOM 468 OD2 ASP A 34 -1.028 -1.649 -0.475 1.00 0.00 O ATOM 0 H ASP A 34 -0.146 -4.573 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.228 -4.513 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.581 -1.594 -2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.224 -2.034 -2.473 1.00 0.00 H new ATOM 473 N THR A 35 -2.698 -4.405 -5.423 1.00 0.00 N ATOM 474 CA THR A 35 -3.579 -4.524 -6.578 1.00 0.00 C ATOM 475 C THR A 35 -3.424 -5.883 -7.250 1.00 0.00 C ATOM 476 O THR A 35 -2.613 -6.707 -6.827 1.00 0.00 O ATOM 477 CB THR A 35 -3.300 -3.417 -7.613 1.00 0.00 C ATOM 478 OG1 THR A 35 -4.452 -3.220 -8.441 1.00 0.00 O ATOM 479 CG2 THR A 35 -2.102 -3.776 -8.479 1.00 0.00 C ATOM 0 H THR A 35 -1.804 -4.886 -5.523 1.00 0.00 H new ATOM 0 HA THR A 35 -4.599 -4.419 -6.210 1.00 0.00 H new ATOM 0 HB THR A 35 -3.077 -2.495 -7.076 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.304 -3.643 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.924 -2.980 -9.202 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.221 -3.897 -7.849 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.301 -4.708 -9.007 1.00 0.00 H new ATOM 487 N VAL A 36 -4.206 -6.112 -8.300 1.00 0.00 N ATOM 488 CA VAL A 36 -4.154 -7.372 -9.032 1.00 0.00 C ATOM 489 C VAL A 36 -3.444 -7.201 -10.370 1.00 0.00 C ATOM 490 O VAL A 36 -3.381 -6.098 -10.914 1.00 0.00 O ATOM 491 CB VAL A 36 -5.566 -7.935 -9.280 1.00 0.00 C ATOM 492 CG1 VAL A 36 -6.258 -8.243 -7.961 1.00 0.00 C ATOM 493 CG2 VAL A 36 -6.390 -6.961 -10.109 1.00 0.00 C ATOM 0 H VAL A 36 -4.883 -5.441 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.594 -8.075 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.474 -8.866 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.254 -8.640 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.676 -8.980 -7.408 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.340 -7.330 -7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.385 -7.375 -10.275 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.475 -6.013 -9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.901 -6.796 -11.069 1.00 0.00 H new ATOM 503 N TRP A 37 -2.913 -8.298 -10.895 1.00 0.00 N ATOM 504 CA TRP A 37 -2.207 -8.270 -12.172 1.00 0.00 C ATOM 505 C TRP A 37 -2.465 -9.547 -12.964 1.00 0.00 C ATOM 506 O TRP A 37 -3.183 -10.437 -12.509 1.00 0.00 O ATOM 507 CB TRP A 37 -0.705 -8.091 -11.943 1.00 0.00 C ATOM 508 CG TRP A 37 -0.355 -6.790 -11.287 1.00 0.00 C ATOM 509 CD1 TRP A 37 -0.411 -6.505 -9.952 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.102 -5.598 -11.935 1.00 0.00 C ATOM 511 NE1 TRP A 37 -0.015 -5.207 -9.732 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.305 -4.630 -10.933 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.362 -5.256 -13.265 1.00 0.00 C ATOM 514 CZ2 TRP A 37 0.754 -3.344 -11.220 1.00 0.00 C ATOM 515 CZ3 TRP A 37 0.807 -3.979 -13.549 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.000 -3.036 -12.531 1.00 0.00 C ATOM 0 H TRP A 37 -2.957 -9.218 -10.457 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.583 -7.425 -12.749 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.339 -8.911 -11.326 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.188 -8.157 -12.900 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.721 -7.197 -9.183 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.033 -4.748 -8.822 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.218 -5.977 -14.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.903 -2.616 -10.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.010 -3.703 -14.573 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.350 -2.046 -12.786 1.00 0.00 H new ATOM 527 N HIS A 38 -1.874 -9.630 -14.152 1.00 0.00 N ATOM 528 CA HIS A 38 -2.039 -10.800 -15.008 1.00 0.00 C ATOM 529 C HIS A 38 -0.756 -11.624 -15.055 1.00 0.00 C ATOM 530 O HIS A 38 0.352 -11.090 -15.097 1.00 0.00 O ATOM 531 CB HIS A 38 -2.437 -10.372 -16.421 1.00 0.00 C ATOM 532 CG HIS A 38 -3.918 -10.303 -16.632 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.520 -9.363 -17.440 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.919 -11.068 -16.136 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.828 -9.550 -17.430 1.00 0.00 C ATOM 536 NE2 HIS A 38 -6.096 -10.579 -16.647 1.00 0.00 N ATOM 0 H HIS A 38 -1.277 -8.902 -14.544 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.832 -11.419 -14.587 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.003 -9.395 -16.631 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.009 -11.072 -17.138 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.812 -11.906 -15.464 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.554 -8.961 -17.970 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.026 -10.950 -16.453 1.00 0.00 H new ATOM 544 N PRO A 39 -0.908 -12.957 -15.048 1.00 0.00 N ATOM 545 CA PRO A 39 0.227 -13.883 -15.089 1.00 0.00 C ATOM 546 C PRO A 39 0.935 -13.873 -16.440 1.00 0.00 C ATOM 547 O PRO A 39 1.844 -14.667 -16.680 1.00 0.00 O ATOM 548 CB PRO A 39 -0.419 -15.247 -14.834 1.00 0.00 C ATOM 549 CG PRO A 39 -1.829 -15.090 -15.288 1.00 0.00 C ATOM 550 CD PRO A 39 -2.200 -13.662 -14.999 1.00 0.00 C ATOM 0 HA PRO A 39 0.996 -13.618 -14.363 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.090 -16.036 -15.388 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.371 -15.517 -13.779 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.923 -15.310 -16.351 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.488 -15.779 -14.760 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.899 -13.271 -15.738 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.677 -13.560 -14.024 1.00 0.00 H new ATOM 558 N GLU A 40 0.511 -12.969 -17.318 1.00 0.00 N ATOM 559 CA GLU A 40 1.106 -12.857 -18.645 1.00 0.00 C ATOM 560 C GLU A 40 1.663 -11.456 -18.875 1.00 0.00 C ATOM 561 O GLU A 40 2.598 -11.267 -19.654 1.00 0.00 O ATOM 562 CB GLU A 40 0.070 -13.189 -19.721 1.00 0.00 C ATOM 563 CG GLU A 40 -1.055 -12.172 -19.818 1.00 0.00 C ATOM 564 CD GLU A 40 -2.331 -12.765 -20.382 1.00 0.00 C ATOM 565 OE1 GLU A 40 -2.837 -13.746 -19.797 1.00 0.00 O ATOM 566 OE2 GLU A 40 -2.824 -12.249 -21.406 1.00 0.00 O ATOM 0 H GLU A 40 -0.241 -12.305 -17.135 1.00 0.00 H new ATOM 0 HA GLU A 40 1.928 -13.570 -18.709 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.571 -13.257 -20.687 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.356 -14.170 -19.513 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.256 -11.763 -18.828 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.736 -11.342 -20.448 1.00 0.00 H new ATOM 573 N CYS A 41 1.083 -10.475 -18.192 1.00 0.00 N ATOM 574 CA CYS A 41 1.520 -9.090 -18.321 1.00 0.00 C ATOM 575 C CYS A 41 2.581 -8.755 -17.277 1.00 0.00 C ATOM 576 O CYS A 41 3.659 -8.260 -17.608 1.00 0.00 O ATOM 577 CB CYS A 41 0.328 -8.142 -18.175 1.00 0.00 C ATOM 578 SG CYS A 41 -1.193 -8.729 -18.988 1.00 0.00 S ATOM 0 H CYS A 41 0.308 -10.614 -17.543 1.00 0.00 H new ATOM 0 HA CYS A 41 1.957 -8.964 -19.311 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.125 -7.991 -17.115 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.597 -7.171 -18.590 1.00 0.00 H new ATOM 583 N PHE A 42 2.268 -9.027 -16.014 1.00 0.00 N ATOM 584 CA PHE A 42 3.194 -8.754 -14.921 1.00 0.00 C ATOM 585 C PHE A 42 4.617 -9.150 -15.302 1.00 0.00 C ATOM 586 O PHE A 42 4.994 -10.319 -15.213 1.00 0.00 O ATOM 587 CB PHE A 42 2.763 -9.507 -13.660 1.00 0.00 C ATOM 588 CG PHE A 42 3.236 -8.865 -12.388 1.00 0.00 C ATOM 589 CD1 PHE A 42 2.606 -7.736 -11.890 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.311 -9.390 -11.689 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.040 -7.142 -10.720 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.749 -8.801 -10.517 1.00 0.00 C ATOM 593 CZ PHE A 42 4.112 -7.676 -10.032 1.00 0.00 C ATOM 0 H PHE A 42 1.380 -9.436 -15.722 1.00 0.00 H new ATOM 0 HA PHE A 42 3.175 -7.683 -14.721 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.675 -9.575 -13.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.145 -10.527 -13.707 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.766 -7.315 -12.422 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.813 -10.270 -12.064 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.541 -6.261 -10.344 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.588 -9.220 -9.982 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.451 -7.215 -9.116 1.00 0.00 H new ATOM 603 N VAL A 43 5.404 -8.167 -15.728 1.00 0.00 N ATOM 604 CA VAL A 43 6.786 -8.411 -16.123 1.00 0.00 C ATOM 605 C VAL A 43 7.608 -7.128 -16.068 1.00 0.00 C ATOM 606 O VAL A 43 7.059 -6.029 -15.988 1.00 0.00 O ATOM 607 CB VAL A 43 6.869 -9.000 -17.543 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.074 -10.294 -17.632 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.375 -7.990 -18.568 1.00 0.00 C ATOM 0 H VAL A 43 5.108 -7.194 -15.808 1.00 0.00 H new ATOM 0 HA VAL A 43 7.195 -9.132 -15.415 1.00 0.00 H new ATOM 0 HB VAL A 43 7.912 -9.227 -17.763 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.144 -10.695 -18.643 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.478 -11.019 -16.925 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.029 -10.096 -17.392 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.441 -8.423 -19.566 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.339 -7.730 -18.353 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.991 -7.092 -18.521 1.00 0.00 H new ATOM 619 N CYS A 44 8.928 -7.275 -16.112 1.00 0.00 N ATOM 620 CA CYS A 44 9.827 -6.128 -16.068 1.00 0.00 C ATOM 621 C CYS A 44 9.394 -5.058 -17.067 1.00 0.00 C ATOM 622 O CYS A 44 8.594 -5.319 -17.964 1.00 0.00 O ATOM 623 CB CYS A 44 11.262 -6.568 -16.366 1.00 0.00 C ATOM 624 SG CYS A 44 12.507 -5.261 -16.116 1.00 0.00 S ATOM 0 H CYS A 44 9.399 -8.177 -16.178 1.00 0.00 H new ATOM 0 HA CYS A 44 9.784 -5.702 -15.065 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.510 -7.418 -15.730 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.317 -6.915 -17.398 1.00 0.00 H new ATOM 629 N GLY A 45 9.930 -3.853 -16.903 1.00 0.00 N ATOM 630 CA GLY A 45 9.588 -2.761 -17.797 1.00 0.00 C ATOM 631 C GLY A 45 10.617 -2.565 -18.892 1.00 0.00 C ATOM 632 O GLY A 45 10.308 -2.020 -19.953 1.00 0.00 O ATOM 0 H GLY A 45 10.595 -3.613 -16.168 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.615 -2.956 -18.248 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.494 -1.840 -17.222 1.00 0.00 H new ATOM 636 N ASP A 46 11.843 -3.007 -18.637 1.00 0.00 N ATOM 637 CA ASP A 46 12.921 -2.876 -19.609 1.00 0.00 C ATOM 638 C ASP A 46 13.069 -4.152 -20.432 1.00 0.00 C ATOM 639 O ASP A 46 12.826 -4.157 -21.639 1.00 0.00 O ATOM 640 CB ASP A 46 14.239 -2.555 -18.902 1.00 0.00 C ATOM 641 CG ASP A 46 14.264 -1.149 -18.335 1.00 0.00 C ATOM 642 OD1 ASP A 46 13.716 -0.944 -17.232 1.00 0.00 O ATOM 643 OD2 ASP A 46 14.833 -0.254 -18.995 1.00 0.00 O ATOM 0 H ASP A 46 12.115 -3.460 -17.764 1.00 0.00 H new ATOM 0 HA ASP A 46 12.671 -2.057 -20.283 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.400 -3.271 -18.096 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.064 -2.675 -19.605 1.00 0.00 H new ATOM 648 N CYS A 47 13.470 -5.233 -19.771 1.00 0.00 N ATOM 649 CA CYS A 47 13.653 -6.515 -20.440 1.00 0.00 C ATOM 650 C CYS A 47 12.315 -7.223 -20.633 1.00 0.00 C ATOM 651 O CYS A 47 12.189 -8.121 -21.465 1.00 0.00 O ATOM 652 CB CYS A 47 14.601 -7.405 -19.633 1.00 0.00 C ATOM 653 SG CYS A 47 14.053 -7.717 -17.924 1.00 0.00 S ATOM 0 H CYS A 47 13.674 -5.246 -18.772 1.00 0.00 H new ATOM 0 HA CYS A 47 14.090 -6.326 -21.421 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.712 -8.359 -20.148 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.586 -6.939 -19.608 1.00 0.00 H new ATOM 658 N PHE A 48 11.317 -6.811 -19.858 1.00 0.00 N ATOM 659 CA PHE A 48 9.988 -7.406 -19.942 1.00 0.00 C ATOM 660 C PHE A 48 10.054 -8.917 -19.746 1.00 0.00 C ATOM 661 O PHE A 48 9.562 -9.686 -20.572 1.00 0.00 O ATOM 662 CB PHE A 48 9.347 -7.084 -21.294 1.00 0.00 C ATOM 663 CG PHE A 48 8.941 -5.645 -21.438 1.00 0.00 C ATOM 664 CD1 PHE A 48 7.888 -5.131 -20.699 1.00 0.00 C ATOM 665 CD2 PHE A 48 9.614 -4.805 -22.311 1.00 0.00 C ATOM 666 CE1 PHE A 48 7.512 -3.808 -20.830 1.00 0.00 C ATOM 667 CE2 PHE A 48 9.243 -3.481 -22.446 1.00 0.00 C ATOM 668 CZ PHE A 48 8.191 -2.981 -21.703 1.00 0.00 C ATOM 0 H PHE A 48 11.403 -6.068 -19.165 1.00 0.00 H new ATOM 0 HA PHE A 48 9.377 -6.981 -19.146 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.049 -7.336 -22.089 1.00 0.00 H new ATOM 0 HB3 PHE A 48 8.470 -7.716 -21.431 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.355 -5.772 -20.012 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.438 -5.190 -22.893 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.687 -3.421 -20.250 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.775 -2.838 -23.131 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.900 -1.946 -21.805 1.00 0.00 H new ATOM 678 N THR A 49 10.669 -9.338 -18.644 1.00 0.00 N ATOM 679 CA THR A 49 10.802 -10.757 -18.338 1.00 0.00 C ATOM 680 C THR A 49 9.802 -11.186 -17.271 1.00 0.00 C ATOM 681 O THR A 49 9.317 -10.363 -16.495 1.00 0.00 O ATOM 682 CB THR A 49 12.226 -11.096 -17.858 1.00 0.00 C ATOM 683 OG1 THR A 49 12.416 -12.516 -17.853 1.00 0.00 O ATOM 684 CG2 THR A 49 12.473 -10.542 -16.464 1.00 0.00 C ATOM 0 H THR A 49 11.082 -8.716 -17.949 1.00 0.00 H new ATOM 0 HA THR A 49 10.598 -11.300 -19.261 1.00 0.00 H new ATOM 0 HB THR A 49 12.936 -10.637 -18.545 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.324 -12.723 -17.548 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.485 -10.794 -16.146 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.356 -9.458 -16.477 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.756 -10.976 -15.768 1.00 0.00 H new ATOM 692 N SER A 50 9.500 -12.480 -17.236 1.00 0.00 N ATOM 693 CA SER A 50 8.554 -13.017 -16.264 1.00 0.00 C ATOM 694 C SER A 50 9.208 -13.162 -14.893 1.00 0.00 C ATOM 695 O SER A 50 10.415 -13.384 -14.788 1.00 0.00 O ATOM 696 CB SER A 50 8.023 -14.373 -16.734 1.00 0.00 C ATOM 697 OG SER A 50 6.811 -14.701 -16.078 1.00 0.00 O ATOM 0 H SER A 50 9.896 -13.175 -17.869 1.00 0.00 H new ATOM 0 HA SER A 50 7.722 -12.318 -16.179 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.862 -14.350 -17.812 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.767 -15.146 -16.539 1.00 0.00 H new ATOM 0 HG SER A 50 6.491 -15.571 -16.397 1.00 0.00 H new ATOM 703 N PHE A 51 8.402 -13.035 -13.844 1.00 0.00 N ATOM 704 CA PHE A 51 8.901 -13.151 -12.479 1.00 0.00 C ATOM 705 C PHE A 51 8.369 -14.415 -11.811 1.00 0.00 C ATOM 706 O PHE A 51 7.373 -14.377 -11.088 1.00 0.00 O ATOM 707 CB PHE A 51 8.499 -11.921 -11.661 1.00 0.00 C ATOM 708 CG PHE A 51 8.967 -10.625 -12.259 1.00 0.00 C ATOM 709 CD1 PHE A 51 10.312 -10.294 -12.262 1.00 0.00 C ATOM 710 CD2 PHE A 51 8.061 -9.737 -12.817 1.00 0.00 C ATOM 711 CE1 PHE A 51 10.746 -9.102 -12.811 1.00 0.00 C ATOM 712 CE2 PHE A 51 8.489 -8.544 -13.368 1.00 0.00 C ATOM 713 CZ PHE A 51 9.833 -8.226 -13.364 1.00 0.00 C ATOM 0 H PHE A 51 7.401 -12.852 -13.913 1.00 0.00 H new ATOM 0 HA PHE A 51 9.988 -13.213 -12.520 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.413 -11.897 -11.565 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.906 -12.015 -10.654 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.030 -10.975 -11.830 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.009 -9.980 -12.821 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.798 -8.856 -12.807 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.773 -7.861 -13.801 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.169 -7.294 -13.793 1.00 0.00 H new ATOM 723 N SER A 52 9.041 -15.535 -12.059 1.00 0.00 N ATOM 724 CA SER A 52 8.635 -16.813 -11.485 1.00 0.00 C ATOM 725 C SER A 52 9.130 -16.946 -10.048 1.00 0.00 C ATOM 726 O SER A 52 10.334 -16.967 -9.793 1.00 0.00 O ATOM 727 CB SER A 52 9.173 -17.969 -12.331 1.00 0.00 C ATOM 728 OG SER A 52 8.329 -18.225 -13.440 1.00 0.00 O ATOM 0 H SER A 52 9.869 -15.583 -12.653 1.00 0.00 H new ATOM 0 HA SER A 52 7.546 -16.851 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.177 -17.731 -12.682 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.254 -18.866 -11.717 1.00 0.00 H new ATOM 0 HG SER A 52 8.695 -18.967 -13.966 1.00 0.00 H new ATOM 734 N THR A 53 8.191 -17.035 -9.111 1.00 0.00 N ATOM 735 CA THR A 53 8.529 -17.165 -7.700 1.00 0.00 C ATOM 736 C THR A 53 9.779 -16.361 -7.358 1.00 0.00 C ATOM 737 O THR A 53 10.627 -16.810 -6.588 1.00 0.00 O ATOM 738 CB THR A 53 8.758 -18.637 -7.310 1.00 0.00 C ATOM 739 OG1 THR A 53 9.691 -19.243 -8.210 1.00 0.00 O ATOM 740 CG2 THR A 53 7.449 -19.412 -7.331 1.00 0.00 C ATOM 0 H THR A 53 7.190 -17.019 -9.305 1.00 0.00 H new ATOM 0 HA THR A 53 7.682 -16.775 -7.135 1.00 0.00 H new ATOM 0 HB THR A 53 9.161 -18.663 -6.298 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.832 -20.178 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.636 -20.449 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.751 -18.966 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.021 -19.377 -8.333 1.00 0.00 H new ATOM 748 N GLY A 54 9.886 -15.168 -7.936 1.00 0.00 N ATOM 749 CA GLY A 54 11.035 -14.320 -7.679 1.00 0.00 C ATOM 750 C GLY A 54 10.643 -12.963 -7.129 1.00 0.00 C ATOM 751 O GLY A 54 10.104 -12.124 -7.851 1.00 0.00 O ATOM 0 H GLY A 54 9.198 -14.774 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.699 -14.817 -6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.597 -14.185 -8.603 1.00 0.00 H new ATOM 755 N SER A 55 10.912 -12.746 -5.845 1.00 0.00 N ATOM 756 CA SER A 55 10.579 -11.483 -5.197 1.00 0.00 C ATOM 757 C SER A 55 10.832 -10.307 -6.136 1.00 0.00 C ATOM 758 O SER A 55 11.974 -9.893 -6.337 1.00 0.00 O ATOM 759 CB SER A 55 11.396 -11.312 -3.915 1.00 0.00 C ATOM 760 OG SER A 55 10.753 -11.931 -2.814 1.00 0.00 O ATOM 0 H SER A 55 11.360 -13.429 -5.233 1.00 0.00 H new ATOM 0 HA SER A 55 9.519 -11.502 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.387 -11.744 -4.051 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.537 -10.251 -3.709 1.00 0.00 H new ATOM 0 HG SER A 55 11.296 -11.809 -2.007 1.00 0.00 H new ATOM 766 N PHE A 56 9.759 -9.773 -6.708 1.00 0.00 N ATOM 767 CA PHE A 56 9.863 -8.645 -7.627 1.00 0.00 C ATOM 768 C PHE A 56 10.223 -7.365 -6.878 1.00 0.00 C ATOM 769 O PHE A 56 10.171 -7.316 -5.649 1.00 0.00 O ATOM 770 CB PHE A 56 8.548 -8.453 -8.384 1.00 0.00 C ATOM 771 CG PHE A 56 7.575 -7.553 -7.678 1.00 0.00 C ATOM 772 CD1 PHE A 56 7.581 -6.187 -7.911 1.00 0.00 C ATOM 773 CD2 PHE A 56 6.655 -8.072 -6.782 1.00 0.00 C ATOM 774 CE1 PHE A 56 6.688 -5.356 -7.262 1.00 0.00 C ATOM 775 CE2 PHE A 56 5.759 -7.245 -6.130 1.00 0.00 C ATOM 776 CZ PHE A 56 5.775 -5.886 -6.371 1.00 0.00 C ATOM 0 H PHE A 56 8.807 -10.103 -6.552 1.00 0.00 H new ATOM 0 HA PHE A 56 10.657 -8.863 -8.342 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.763 -8.040 -9.370 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.083 -9.426 -8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.292 -5.767 -8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.637 -9.135 -6.590 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.704 -4.293 -7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.047 -7.662 -5.433 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.075 -5.238 -5.864 1.00 0.00 H new ATOM 786 N PHE A 57 10.589 -6.331 -7.628 1.00 0.00 N ATOM 787 CA PHE A 57 10.959 -5.051 -7.037 1.00 0.00 C ATOM 788 C PHE A 57 10.031 -3.940 -7.518 1.00 0.00 C ATOM 789 O PHE A 57 9.615 -3.924 -8.676 1.00 0.00 O ATOM 790 CB PHE A 57 12.409 -4.705 -7.383 1.00 0.00 C ATOM 791 CG PHE A 57 13.410 -5.651 -6.785 1.00 0.00 C ATOM 792 CD1 PHE A 57 13.533 -6.945 -7.264 1.00 0.00 C ATOM 793 CD2 PHE A 57 14.230 -5.246 -5.744 1.00 0.00 C ATOM 794 CE1 PHE A 57 14.453 -7.818 -6.715 1.00 0.00 C ATOM 795 CE2 PHE A 57 15.152 -6.114 -5.190 1.00 0.00 C ATOM 796 CZ PHE A 57 15.265 -7.401 -5.677 1.00 0.00 C ATOM 0 H PHE A 57 10.637 -6.355 -8.647 1.00 0.00 H new ATOM 0 HA PHE A 57 10.862 -5.138 -5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.525 -4.703 -8.467 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.625 -3.694 -7.038 1.00 0.00 H new ATOM 0 HD1 PHE A 57 12.902 -7.276 -8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.148 -4.240 -5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.537 -8.825 -7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.783 -5.786 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.986 -8.081 -5.248 1.00 0.00 H new ATOM 806 N GLU A 58 9.710 -3.014 -6.620 1.00 0.00 N ATOM 807 CA GLU A 58 8.829 -1.900 -6.953 1.00 0.00 C ATOM 808 C GLU A 58 9.634 -0.631 -7.220 1.00 0.00 C ATOM 809 O GLU A 58 10.220 -0.050 -6.305 1.00 0.00 O ATOM 810 CB GLU A 58 7.830 -1.655 -5.821 1.00 0.00 C ATOM 811 CG GLU A 58 7.025 -0.377 -5.985 1.00 0.00 C ATOM 812 CD GLU A 58 6.339 0.050 -4.702 1.00 0.00 C ATOM 813 OE1 GLU A 58 5.945 -0.838 -3.917 1.00 0.00 O ATOM 814 OE2 GLU A 58 6.196 1.271 -4.482 1.00 0.00 O ATOM 0 H GLU A 58 10.046 -3.013 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 58 8.283 -2.160 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.145 -2.501 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.369 -1.616 -4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.684 0.422 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.275 -0.522 -6.763 1.00 0.00 H new ATOM 821 N LEU A 59 9.658 -0.207 -8.478 1.00 0.00 N ATOM 822 CA LEU A 59 10.391 0.993 -8.867 1.00 0.00 C ATOM 823 C LEU A 59 9.523 1.906 -9.727 1.00 0.00 C ATOM 824 O LEU A 59 9.161 1.558 -10.851 1.00 0.00 O ATOM 825 CB LEU A 59 11.662 0.614 -9.628 1.00 0.00 C ATOM 826 CG LEU A 59 12.742 1.694 -9.712 1.00 0.00 C ATOM 827 CD1 LEU A 59 13.547 1.744 -8.423 1.00 0.00 C ATOM 828 CD2 LEU A 59 13.654 1.444 -10.904 1.00 0.00 C ATOM 0 H LEU A 59 9.179 -0.676 -9.247 1.00 0.00 H new ATOM 0 HA LEU A 59 10.665 1.531 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.095 -0.268 -9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.383 0.328 -10.642 1.00 0.00 H new ATOM 0 HG LEU A 59 12.255 2.659 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.311 2.518 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.884 1.971 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.024 0.779 -8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.416 2.222 -10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.134 0.471 -10.797 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.066 1.460 -11.822 1.00 0.00 H new ATOM 840 N ASP A 60 9.194 3.077 -9.192 1.00 0.00 N ATOM 841 CA ASP A 60 8.372 4.043 -9.912 1.00 0.00 C ATOM 842 C ASP A 60 7.017 3.441 -10.272 1.00 0.00 C ATOM 843 O ASP A 60 6.536 3.595 -11.394 1.00 0.00 O ATOM 844 CB ASP A 60 9.088 4.511 -11.179 1.00 0.00 C ATOM 845 CG ASP A 60 8.625 5.881 -11.633 1.00 0.00 C ATOM 846 OD1 ASP A 60 9.113 6.888 -11.078 1.00 0.00 O ATOM 847 OD2 ASP A 60 7.774 5.947 -12.545 1.00 0.00 O ATOM 0 H ASP A 60 9.484 3.380 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 60 8.208 4.901 -9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.163 4.536 -10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.916 3.789 -11.978 1.00 0.00 H new ATOM 852 N GLY A 61 6.406 2.753 -9.311 1.00 0.00 N ATOM 853 CA GLY A 61 5.113 2.137 -9.547 1.00 0.00 C ATOM 854 C GLY A 61 5.121 1.217 -10.752 1.00 0.00 C ATOM 855 O GLY A 61 4.120 1.101 -11.459 1.00 0.00 O ATOM 0 H GLY A 61 6.783 2.612 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.817 1.571 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.364 2.915 -9.693 1.00 0.00 H new ATOM 859 N ARG A 62 6.253 0.562 -10.987 1.00 0.00 N ATOM 860 CA ARG A 62 6.387 -0.351 -12.116 1.00 0.00 C ATOM 861 C ARG A 62 7.260 -1.547 -11.747 1.00 0.00 C ATOM 862 O ARG A 62 8.356 -1.403 -11.204 1.00 0.00 O ATOM 863 CB ARG A 62 6.985 0.379 -13.320 1.00 0.00 C ATOM 864 CG ARG A 62 5.943 0.998 -14.236 1.00 0.00 C ATOM 865 CD ARG A 62 6.566 2.008 -15.187 1.00 0.00 C ATOM 866 NE ARG A 62 7.181 1.363 -16.344 1.00 0.00 N ATOM 867 CZ ARG A 62 7.812 2.027 -17.306 1.00 0.00 C ATOM 868 NH1 ARG A 62 7.911 3.348 -17.249 1.00 0.00 N ATOM 869 NH2 ARG A 62 8.346 1.369 -18.327 1.00 0.00 N ATOM 0 H ARG A 62 7.091 0.646 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 62 5.394 -0.716 -12.377 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.654 1.162 -12.964 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.591 -0.321 -13.894 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.449 0.214 -14.809 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.175 1.487 -13.637 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.801 2.707 -15.526 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.318 2.591 -14.655 1.00 0.00 H new ATOM 0 HE ARG A 62 7.123 0.347 -16.417 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.502 3.857 -16.465 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.396 3.855 -17.989 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.272 0.353 -18.373 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.830 1.879 -19.065 1.00 0.00 H new ATOM 883 N PRO A 63 6.765 -2.756 -12.048 1.00 0.00 N ATOM 884 CA PRO A 63 7.484 -4.001 -11.758 1.00 0.00 C ATOM 885 C PRO A 63 8.716 -4.178 -12.638 1.00 0.00 C ATOM 886 O PRO A 63 8.612 -4.242 -13.863 1.00 0.00 O ATOM 887 CB PRO A 63 6.449 -5.087 -12.062 1.00 0.00 C ATOM 888 CG PRO A 63 5.524 -4.463 -13.048 1.00 0.00 C ATOM 889 CD PRO A 63 5.466 -3.002 -12.696 1.00 0.00 C ATOM 0 HA PRO A 63 7.860 -4.025 -10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.921 -5.980 -12.472 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.919 -5.392 -11.160 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.886 -4.605 -14.066 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.534 -4.916 -12.995 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.334 -2.380 -13.581 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.635 -2.783 -12.026 1.00 0.00 H new ATOM 897 N PHE A 64 9.882 -4.256 -12.006 1.00 0.00 N ATOM 898 CA PHE A 64 11.136 -4.425 -12.732 1.00 0.00 C ATOM 899 C PHE A 64 11.917 -5.622 -12.197 1.00 0.00 C ATOM 900 O PHE A 64 11.572 -6.191 -11.161 1.00 0.00 O ATOM 901 CB PHE A 64 11.986 -3.158 -12.627 1.00 0.00 C ATOM 902 CG PHE A 64 11.436 -2.000 -13.410 1.00 0.00 C ATOM 903 CD1 PHE A 64 11.669 -1.894 -14.772 1.00 0.00 C ATOM 904 CD2 PHE A 64 10.686 -1.017 -12.784 1.00 0.00 C ATOM 905 CE1 PHE A 64 11.164 -0.831 -15.495 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.179 0.049 -13.503 1.00 0.00 C ATOM 907 CZ PHE A 64 10.419 0.143 -14.860 1.00 0.00 C ATOM 0 H PHE A 64 9.985 -4.205 -10.993 1.00 0.00 H new ATOM 0 HA PHE A 64 10.898 -4.608 -13.780 1.00 0.00 H new ATOM 0 HB2 PHE A 64 12.068 -2.871 -11.579 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.995 -3.377 -12.977 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.252 -2.652 -15.274 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.496 -1.085 -11.723 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.352 -0.762 -16.556 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.595 0.808 -13.004 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.025 0.976 -15.423 1.00 0.00 H new ATOM 917 N CYS A 65 12.972 -5.999 -12.912 1.00 0.00 N ATOM 918 CA CYS A 65 13.803 -7.128 -12.511 1.00 0.00 C ATOM 919 C CYS A 65 15.041 -6.651 -11.756 1.00 0.00 C ATOM 920 O CYS A 65 15.754 -5.760 -12.215 1.00 0.00 O ATOM 921 CB CYS A 65 14.222 -7.940 -13.738 1.00 0.00 C ATOM 922 SG CYS A 65 15.557 -7.176 -14.716 1.00 0.00 S ATOM 0 H CYS A 65 13.271 -5.539 -13.772 1.00 0.00 H new ATOM 0 HA CYS A 65 13.216 -7.762 -11.847 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.545 -8.929 -13.413 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.353 -8.083 -14.380 1.00 0.00 H new ATOM 927 N GLU A 66 15.288 -7.252 -10.596 1.00 0.00 N ATOM 928 CA GLU A 66 16.438 -6.888 -9.778 1.00 0.00 C ATOM 929 C GLU A 66 17.577 -6.358 -10.645 1.00 0.00 C ATOM 930 O GLU A 66 18.057 -5.242 -10.444 1.00 0.00 O ATOM 931 CB GLU A 66 16.918 -8.095 -8.969 1.00 0.00 C ATOM 932 CG GLU A 66 18.100 -7.790 -8.064 1.00 0.00 C ATOM 933 CD GLU A 66 18.869 -9.036 -7.668 1.00 0.00 C ATOM 934 OE1 GLU A 66 19.034 -9.928 -8.526 1.00 0.00 O ATOM 935 OE2 GLU A 66 19.304 -9.119 -6.500 1.00 0.00 O ATOM 0 H GLU A 66 14.707 -7.992 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 66 16.129 -6.099 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.092 -8.466 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.194 -8.895 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.773 -7.099 -8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.744 -7.286 -7.165 1.00 0.00 H new ATOM 942 N LEU A 67 18.005 -7.167 -11.608 1.00 0.00 N ATOM 943 CA LEU A 67 19.087 -6.780 -12.507 1.00 0.00 C ATOM 944 C LEU A 67 19.001 -5.298 -12.858 1.00 0.00 C ATOM 945 O LEU A 67 19.870 -4.509 -12.485 1.00 0.00 O ATOM 946 CB LEU A 67 19.042 -7.622 -13.783 1.00 0.00 C ATOM 947 CG LEU A 67 20.122 -7.322 -14.823 1.00 0.00 C ATOM 948 CD1 LEU A 67 20.464 -8.575 -15.615 1.00 0.00 C ATOM 949 CD2 LEU A 67 19.670 -6.207 -15.755 1.00 0.00 C ATOM 0 H LEU A 67 17.620 -8.094 -11.786 1.00 0.00 H new ATOM 0 HA LEU A 67 20.033 -6.958 -11.995 1.00 0.00 H new ATOM 0 HB2 LEU A 67 19.117 -8.673 -13.504 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.067 -7.485 -14.251 1.00 0.00 H new ATOM 0 HG LEU A 67 21.020 -6.991 -14.301 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.234 -8.342 -16.350 1.00 0.00 H new ATOM 0 HD12 LEU A 67 20.831 -9.345 -14.937 1.00 0.00 H new ATOM 0 HD13 LEU A 67 19.572 -8.937 -16.126 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.451 -6.007 -16.489 1.00 0.00 H new ATOM 0 HD22 LEU A 67 18.758 -6.510 -16.269 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.477 -5.304 -15.175 1.00 0.00 H new ATOM 961 N HIS A 68 17.946 -4.926 -13.576 1.00 0.00 N ATOM 962 CA HIS A 68 17.744 -3.538 -13.976 1.00 0.00 C ATOM 963 C HIS A 68 17.439 -2.663 -12.763 1.00 0.00 C ATOM 964 O HIS A 68 17.986 -1.569 -12.621 1.00 0.00 O ATOM 965 CB HIS A 68 16.606 -3.438 -14.991 1.00 0.00 C ATOM 966 CG HIS A 68 17.029 -3.735 -16.397 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.242 -4.432 -17.288 1.00 0.00 N ATOM 968 CD2 HIS A 68 18.166 -3.425 -17.064 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.876 -4.539 -18.442 1.00 0.00 C ATOM 970 NE2 HIS A 68 18.045 -3.936 -18.333 1.00 0.00 N ATOM 0 H HIS A 68 17.218 -5.566 -13.893 1.00 0.00 H new ATOM 0 HA HIS A 68 18.664 -3.181 -14.438 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.813 -4.130 -14.705 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.183 -2.434 -14.952 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.010 -2.878 -16.671 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.501 -5.036 -19.325 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.745 -3.862 -19.071 1.00 0.00 H new ATOM 978 N TYR A 69 16.562 -3.151 -11.894 1.00 0.00 N ATOM 979 CA TYR A 69 16.181 -2.412 -10.696 1.00 0.00 C ATOM 980 C TYR A 69 17.351 -1.586 -10.170 1.00 0.00 C ATOM 981 O TYR A 69 17.267 -0.362 -10.069 1.00 0.00 O ATOM 982 CB TYR A 69 15.694 -3.374 -9.611 1.00 0.00 C ATOM 983 CG TYR A 69 15.433 -2.705 -8.280 1.00 0.00 C ATOM 984 CD1 TYR A 69 14.260 -1.995 -8.055 1.00 0.00 C ATOM 985 CD2 TYR A 69 16.361 -2.781 -7.249 1.00 0.00 C ATOM 986 CE1 TYR A 69 14.018 -1.382 -6.842 1.00 0.00 C ATOM 987 CE2 TYR A 69 16.127 -2.172 -6.031 1.00 0.00 C ATOM 988 CZ TYR A 69 14.954 -1.473 -5.833 1.00 0.00 C ATOM 989 OH TYR A 69 14.718 -0.863 -4.622 1.00 0.00 O ATOM 0 H TYR A 69 16.101 -4.055 -11.996 1.00 0.00 H new ATOM 0 HA TYR A 69 15.370 -1.733 -10.962 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.778 -3.858 -9.951 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.437 -4.159 -9.474 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.525 -1.921 -8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 69 17.281 -3.325 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 69 13.101 -0.834 -6.684 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.858 -2.243 -5.239 1.00 0.00 H new ATOM 0 HH TYR A 69 15.475 -1.024 -4.021 1.00 0.00 H new ATOM 999 N HIS A 70 18.445 -2.266 -9.838 1.00 0.00 N ATOM 1000 CA HIS A 70 19.634 -1.596 -9.324 1.00 0.00 C ATOM 1001 C HIS A 70 20.219 -0.650 -10.368 1.00 0.00 C ATOM 1002 O HIS A 70 20.402 0.540 -10.110 1.00 0.00 O ATOM 1003 CB HIS A 70 20.684 -2.626 -8.906 1.00 0.00 C ATOM 1004 CG HIS A 70 20.237 -3.518 -7.790 1.00 0.00 C ATOM 1005 ND1 HIS A 70 20.058 -3.074 -6.496 1.00 0.00 N ATOM 1006 CD2 HIS A 70 19.930 -4.837 -7.779 1.00 0.00 C ATOM 1007 CE1 HIS A 70 19.662 -4.081 -5.738 1.00 0.00 C ATOM 1008 NE2 HIS A 70 19.576 -5.162 -6.493 1.00 0.00 N ATOM 0 H HIS A 70 18.532 -3.279 -9.916 1.00 0.00 H new ATOM 0 HA HIS A 70 19.343 -1.010 -8.452 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.943 -3.240 -9.769 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.592 -2.105 -8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 70 19.958 -5.508 -8.625 1.00 0.00 H new ATOM 0 HE1 HIS A 70 19.445 -4.029 -4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 70 19.293 -6.088 -6.172 1.00 0.00 H new ATOM 1016 N HIS A 71 20.512 -1.187 -11.548 1.00 0.00 N ATOM 1017 CA HIS A 71 21.077 -0.391 -12.632 1.00 0.00 C ATOM 1018 C HIS A 71 20.367 0.955 -12.744 1.00 0.00 C ATOM 1019 O HIS A 71 20.997 1.981 -13.001 1.00 0.00 O ATOM 1020 CB HIS A 71 20.973 -1.147 -13.957 1.00 0.00 C ATOM 1021 CG HIS A 71 21.816 -0.562 -15.048 1.00 0.00 C ATOM 1022 ND1 HIS A 71 21.540 0.651 -15.643 1.00 0.00 N ATOM 1023 CD2 HIS A 71 22.934 -1.029 -15.651 1.00 0.00 C ATOM 1024 CE1 HIS A 71 22.451 0.904 -16.565 1.00 0.00 C ATOM 1025 NE2 HIS A 71 23.309 -0.100 -16.590 1.00 0.00 N ATOM 0 H HIS A 71 20.368 -2.170 -11.778 1.00 0.00 H new ATOM 0 HA HIS A 71 22.128 -0.211 -12.407 1.00 0.00 H new ATOM 0 HB2 HIS A 71 21.268 -2.184 -13.798 1.00 0.00 H new ATOM 0 HB3 HIS A 71 19.932 -1.157 -14.279 1.00 0.00 H new ATOM 0 HD2 HIS A 71 23.438 -1.959 -15.434 1.00 0.00 H new ATOM 0 HE1 HIS A 71 22.488 1.783 -17.192 1.00 0.00 H new ATOM 0 HE2 HIS A 71 24.118 -0.173 -17.206 1.00 0.00 H new ATOM 1033 N ARG A 72 19.052 0.943 -12.550 1.00 0.00 N ATOM 1034 CA ARG A 72 18.256 2.162 -12.632 1.00 0.00 C ATOM 1035 C ARG A 72 18.589 3.106 -11.480 1.00 0.00 C ATOM 1036 O ARG A 72 18.700 4.317 -11.669 1.00 0.00 O ATOM 1037 CB ARG A 72 16.764 1.825 -12.615 1.00 0.00 C ATOM 1038 CG ARG A 72 16.209 1.450 -13.979 1.00 0.00 C ATOM 1039 CD ARG A 72 14.690 1.395 -13.966 1.00 0.00 C ATOM 1040 NE ARG A 72 14.121 1.673 -15.282 1.00 0.00 N ATOM 1041 CZ ARG A 72 13.007 2.374 -15.468 1.00 0.00 C ATOM 1042 NH1 ARG A 72 12.347 2.865 -14.428 1.00 0.00 N ATOM 1043 NH2 ARG A 72 12.552 2.586 -16.696 1.00 0.00 N ATOM 0 H ARG A 72 18.515 0.103 -12.335 1.00 0.00 H new ATOM 0 HA ARG A 72 18.497 2.662 -13.570 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.594 1.000 -11.924 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.211 2.682 -12.230 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.542 2.176 -14.721 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.607 0.481 -14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.366 0.409 -13.632 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.307 2.118 -13.246 1.00 0.00 H new ATOM 0 HE ARG A 72 14.605 1.309 -16.103 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.694 2.705 -13.482 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.492 3.403 -14.574 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.057 2.211 -17.499 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.697 3.124 -16.837 1.00 0.00 H new ATOM 1057 N ARG A 73 18.744 2.543 -10.286 1.00 0.00 N ATOM 1058 CA ARG A 73 19.062 3.334 -9.103 1.00 0.00 C ATOM 1059 C ARG A 73 20.168 4.341 -9.404 1.00 0.00 C ATOM 1060 O ARG A 73 20.046 5.524 -9.090 1.00 0.00 O ATOM 1061 CB ARG A 73 19.488 2.421 -7.952 1.00 0.00 C ATOM 1062 CG ARG A 73 18.464 1.350 -7.613 1.00 0.00 C ATOM 1063 CD ARG A 73 17.456 1.847 -6.588 1.00 0.00 C ATOM 1064 NE ARG A 73 16.791 3.072 -7.024 1.00 0.00 N ATOM 1065 CZ ARG A 73 17.190 4.290 -6.672 1.00 0.00 C ATOM 1066 NH1 ARG A 73 18.245 4.444 -5.884 1.00 0.00 N ATOM 1067 NH2 ARG A 73 16.533 5.356 -7.109 1.00 0.00 N ATOM 0 H ARG A 73 18.655 1.542 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 73 18.166 3.881 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 73 20.432 1.941 -8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.672 3.029 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.942 1.044 -8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.973 0.468 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 73 16.709 1.073 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.962 2.027 -5.640 1.00 0.00 H new ATOM 0 HE ARG A 73 15.976 2.988 -7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.753 3.626 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 73 18.549 5.380 -5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.721 5.241 -7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.840 6.290 -6.838 1.00 0.00 H new ATOM 1081 N GLY A 74 21.248 3.862 -10.015 1.00 0.00 N ATOM 1082 CA GLY A 74 22.360 4.733 -10.347 1.00 0.00 C ATOM 1083 C GLY A 74 21.989 5.779 -11.380 1.00 0.00 C ATOM 1084 O GLY A 74 21.837 5.467 -12.561 1.00 0.00 O ATOM 0 H GLY A 74 21.372 2.886 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.712 5.229 -9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.188 4.132 -10.724 1.00 0.00 H new ATOM 1088 N SER A 75 21.841 7.022 -10.934 1.00 0.00 N ATOM 1089 CA SER A 75 21.480 8.117 -11.828 1.00 0.00 C ATOM 1090 C SER A 75 22.727 8.824 -12.351 1.00 0.00 C ATOM 1091 O SER A 75 23.660 9.101 -11.598 1.00 0.00 O ATOM 1092 CB SER A 75 20.578 9.117 -11.104 1.00 0.00 C ATOM 1093 OG SER A 75 19.444 8.473 -10.549 1.00 0.00 O ATOM 0 H SER A 75 21.965 7.296 -9.960 1.00 0.00 H new ATOM 0 HA SER A 75 20.938 7.698 -12.676 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.141 9.613 -10.314 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.256 9.891 -11.800 1.00 0.00 H new ATOM 0 HG SER A 75 18.884 9.134 -10.090 1.00 0.00 H new ATOM 1099 N GLY A 76 22.734 9.115 -13.649 1.00 0.00 N ATOM 1100 CA GLY A 76 23.869 9.788 -14.252 1.00 0.00 C ATOM 1101 C GLY A 76 24.191 9.255 -15.634 1.00 0.00 C ATOM 1102 O GLY A 76 23.794 8.151 -16.006 1.00 0.00 O ATOM 0 H GLY A 76 21.974 8.896 -14.293 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.662 10.856 -14.317 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.741 9.671 -13.608 1.00 0.00 H new ATOM 1106 N PRO A 77 24.927 10.052 -16.423 1.00 0.00 N ATOM 1107 CA PRO A 77 25.317 9.676 -17.785 1.00 0.00 C ATOM 1108 C PRO A 77 26.342 8.548 -17.804 1.00 0.00 C ATOM 1109 O PRO A 77 26.764 8.062 -16.754 1.00 0.00 O ATOM 1110 CB PRO A 77 25.928 10.963 -18.347 1.00 0.00 C ATOM 1111 CG PRO A 77 26.402 11.712 -17.150 1.00 0.00 C ATOM 1112 CD PRO A 77 25.435 11.382 -16.046 1.00 0.00 C ATOM 0 HA PRO A 77 24.472 9.301 -18.362 1.00 0.00 H new ATOM 0 HB2 PRO A 77 26.750 10.746 -19.029 1.00 0.00 H new ATOM 0 HB3 PRO A 77 25.192 11.539 -18.908 1.00 0.00 H new ATOM 0 HG2 PRO A 77 27.416 11.417 -16.881 1.00 0.00 H new ATOM 0 HG3 PRO A 77 26.422 12.785 -17.343 1.00 0.00 H new ATOM 0 HD2 PRO A 77 25.927 11.363 -15.073 1.00 0.00 H new ATOM 0 HD3 PRO A 77 24.632 12.116 -15.983 1.00 0.00 H new ATOM 1120 N SER A 78 26.739 8.135 -19.003 1.00 0.00 N ATOM 1121 CA SER A 78 27.713 7.060 -19.158 1.00 0.00 C ATOM 1122 C SER A 78 28.927 7.537 -19.950 1.00 0.00 C ATOM 1123 O SER A 78 29.433 6.827 -20.818 1.00 0.00 O ATOM 1124 CB SER A 78 27.073 5.860 -19.858 1.00 0.00 C ATOM 1125 OG SER A 78 26.632 6.205 -21.160 1.00 0.00 O ATOM 0 H SER A 78 26.402 8.528 -19.882 1.00 0.00 H new ATOM 0 HA SER A 78 28.045 6.758 -18.165 1.00 0.00 H new ATOM 0 HB2 SER A 78 27.793 5.044 -19.919 1.00 0.00 H new ATOM 0 HB3 SER A 78 26.230 5.498 -19.269 1.00 0.00 H new ATOM 0 HG SER A 78 26.228 5.421 -21.587 1.00 0.00 H new ATOM 1131 N SER A 79 29.389 8.745 -19.643 1.00 0.00 N ATOM 1132 CA SER A 79 30.541 9.320 -20.327 1.00 0.00 C ATOM 1133 C SER A 79 31.739 8.378 -20.259 1.00 0.00 C ATOM 1134 O SER A 79 31.757 7.435 -19.470 1.00 0.00 O ATOM 1135 CB SER A 79 30.905 10.672 -19.710 1.00 0.00 C ATOM 1136 OG SER A 79 31.926 11.314 -20.454 1.00 0.00 O ATOM 0 H SER A 79 28.983 9.345 -18.925 1.00 0.00 H new ATOM 0 HA SER A 79 30.275 9.466 -21.374 1.00 0.00 H new ATOM 0 HB2 SER A 79 30.021 11.309 -19.675 1.00 0.00 H new ATOM 0 HB3 SER A 79 31.236 10.529 -18.681 1.00 0.00 H new ATOM 0 HG SER A 79 32.139 12.176 -20.040 1.00 0.00 H new ATOM 1142 N GLY A 80 32.739 8.642 -21.094 1.00 0.00 N ATOM 1143 CA GLY A 80 33.928 7.810 -21.114 1.00 0.00 C ATOM 1144 C GLY A 80 34.863 8.162 -22.254 1.00 0.00 C ATOM 1145 O GLY A 80 35.179 9.338 -22.428 1.00 0.00 O ATOM 0 H GLY A 80 32.747 9.417 -21.757 1.00 0.00 H new ATOM 0 HA2 GLY A 80 34.458 7.916 -20.167 1.00 0.00 H new ATOM 0 HA3 GLY A 80 33.634 6.764 -21.199 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -3.107 -7.680 -18.193 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.687 -5.976 -16.510 1.00 0.00 ZN