USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 501 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 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 26 SER OG : rot -101:sc= -0.196 USER MOD Set 1.2: A 31 TYR OH : rot 37:sc= -1.18 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.0128 (180deg=-0.0163) USER MOD Single : A 1 MET N :NH3+ -117:sc= 1.04 (180deg=-0.723!) USER MOD Single : A 3 ASN : amide:sc= 0.825 K(o=0.82,f=-4.9!) USER MOD Single : A 7 SER OG : rot -74:sc= -0.0207 USER MOD Single : A 9 THR OG1 : rot -160:sc=-0.00115 USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= 0.994 (180deg=0.691) USER MOD Single : A 22 LYS NZ :NH3+ -118:sc= 1.23 (180deg=-0.544) USER MOD Single : A 25 ASN : amide:sc= -0.489 K(o=-0.49,f=-2.4!) USER MOD Single : A 27 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.1!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.24 F(o=-1.8,f=-1.2) USER MOD Single : A 43 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.0099) USER MOD Single : A 44 GLN :FLIP amide:sc= -1.07 F(o=-1.6,f=-1.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= -5.85! (180deg=-6.18!) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 64 GLN : amide:sc= -0.471 K(o=-0.47,f=-2.5!) USER MOD Single : A 65 MET CE :methyl -140:sc= -0.109 (180deg=-0.6) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.230 -23.538 2.390 1.00 0.00 N ATOM 2 CA MET A 1 8.789 -24.575 1.413 1.00 0.00 C ATOM 3 C MET A 1 9.814 -24.680 0.280 1.00 0.00 C ATOM 4 O MET A 1 10.641 -23.808 0.097 1.00 0.00 O ATOM 5 CB MET A 1 7.420 -24.189 0.836 1.00 0.00 C ATOM 6 CG MET A 1 7.483 -22.778 0.241 1.00 0.00 C ATOM 7 SD MET A 1 7.314 -21.555 1.566 1.00 0.00 S ATOM 8 CE MET A 1 8.472 -20.334 0.901 1.00 0.00 C ATOM 0 H1 MET A 1 9.405 -23.983 3.313 1.00 0.00 H new ATOM 0 H2 MET A 1 10.105 -23.090 2.050 1.00 0.00 H new ATOM 0 H3 MET A 1 8.488 -22.816 2.489 1.00 0.00 H new ATOM 0 HA MET A 1 8.709 -25.538 1.918 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.125 -24.904 0.068 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.662 -24.230 1.618 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.428 -22.634 -0.282 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.689 -22.646 -0.494 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.578 -19.511 1.607 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.443 -20.803 0.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.093 -19.952 -0.047 1.00 0.00 H new ATOM 18 N ALA A 2 9.762 -25.741 -0.483 1.00 0.00 N ATOM 19 CA ALA A 2 10.729 -25.906 -1.606 1.00 0.00 C ATOM 20 C ALA A 2 10.344 -24.962 -2.749 1.00 0.00 C ATOM 21 O ALA A 2 9.521 -25.287 -3.585 1.00 0.00 O ATOM 22 CB ALA A 2 10.696 -27.355 -2.099 1.00 0.00 C ATOM 0 H ALA A 2 9.090 -26.501 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 2 11.735 -25.666 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.403 -27.476 -2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.970 -28.023 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.692 -27.599 -2.446 1.00 0.00 H new ATOM 28 N ASN A 3 10.931 -23.792 -2.786 1.00 0.00 N ATOM 29 CA ASN A 3 10.606 -22.810 -3.865 1.00 0.00 C ATOM 30 C ASN A 3 9.132 -22.398 -3.763 1.00 0.00 C ATOM 31 O ASN A 3 8.451 -22.727 -2.810 1.00 0.00 O ATOM 32 CB ASN A 3 10.872 -23.444 -5.237 1.00 0.00 C ATOM 33 CG ASN A 3 11.286 -22.360 -6.233 1.00 0.00 C ATOM 34 OD1 ASN A 3 10.448 -21.681 -6.794 1.00 0.00 O ATOM 35 ND2 ASN A 3 12.552 -22.165 -6.478 1.00 0.00 N ATOM 0 H ASN A 3 11.626 -23.473 -2.111 1.00 0.00 H new ATOM 0 HA ASN A 3 11.234 -21.927 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.657 -24.196 -5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.977 -23.955 -5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.838 -21.443 -7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 3 13.256 -22.734 -6.008 1.00 0.00 H new ATOM 42 N ALA A 4 8.638 -21.678 -4.736 1.00 0.00 N ATOM 43 CA ALA A 4 7.211 -21.240 -4.702 1.00 0.00 C ATOM 44 C ALA A 4 6.726 -20.978 -6.130 1.00 0.00 C ATOM 45 O ALA A 4 7.469 -20.514 -6.974 1.00 0.00 O ATOM 46 CB ALA A 4 7.091 -19.956 -3.878 1.00 0.00 C ATOM 0 H ALA A 4 9.163 -21.373 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 4 6.601 -22.021 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.049 -19.636 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.438 -20.142 -2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.700 -19.174 -4.332 1.00 0.00 H new ATOM 52 N LEU A 5 5.482 -21.273 -6.407 1.00 0.00 N ATOM 53 CA LEU A 5 4.940 -21.044 -7.779 1.00 0.00 C ATOM 54 C LEU A 5 4.625 -19.556 -7.969 1.00 0.00 C ATOM 55 O LEU A 5 4.444 -18.825 -7.014 1.00 0.00 O ATOM 56 CB LEU A 5 3.660 -21.867 -7.967 1.00 0.00 C ATOM 57 CG LEU A 5 2.662 -21.544 -6.846 1.00 0.00 C ATOM 58 CD1 LEU A 5 1.349 -21.043 -7.455 1.00 0.00 C ATOM 59 CD2 LEU A 5 2.390 -22.806 -6.022 1.00 0.00 C ATOM 0 H LEU A 5 4.817 -21.664 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 5 5.682 -21.351 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.215 -21.646 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.897 -22.931 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 5 3.082 -20.772 -6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.642 -20.814 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.539 -20.143 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.930 -21.814 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.681 -22.575 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.972 -23.579 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.322 -23.163 -5.585 1.00 0.00 H new ATOM 71 N ALA A 6 4.561 -19.108 -9.198 1.00 0.00 N ATOM 72 CA ALA A 6 4.258 -17.669 -9.469 1.00 0.00 C ATOM 73 C ALA A 6 5.283 -16.779 -8.754 1.00 0.00 C ATOM 74 O ALA A 6 6.407 -17.178 -8.517 1.00 0.00 O ATOM 75 CB ALA A 6 2.846 -17.340 -8.971 1.00 0.00 C ATOM 0 H ALA A 6 4.706 -19.680 -10.030 1.00 0.00 H new ATOM 0 HA ALA A 6 4.314 -17.484 -10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.626 -16.291 -9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.122 -17.967 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.785 -17.528 -7.899 1.00 0.00 H new ATOM 81 N SER A 7 4.902 -15.575 -8.410 1.00 0.00 N ATOM 82 CA SER A 7 5.848 -14.656 -7.712 1.00 0.00 C ATOM 83 C SER A 7 5.070 -13.774 -6.736 1.00 0.00 C ATOM 84 O SER A 7 5.276 -13.821 -5.538 1.00 0.00 O ATOM 85 CB SER A 7 6.562 -13.776 -8.741 1.00 0.00 C ATOM 86 OG SER A 7 5.597 -13.130 -9.561 1.00 0.00 O ATOM 0 H SER A 7 3.974 -15.189 -8.583 1.00 0.00 H new ATOM 0 HA SER A 7 6.587 -15.241 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.180 -13.034 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.229 -14.382 -9.354 1.00 0.00 H new ATOM 0 HG SER A 7 5.215 -13.778 -10.189 1.00 0.00 H new ATOM 92 N ALA A 8 4.177 -12.973 -7.245 1.00 0.00 N ATOM 93 CA ALA A 8 3.373 -12.077 -6.364 1.00 0.00 C ATOM 94 C ALA A 8 2.178 -11.528 -7.149 1.00 0.00 C ATOM 95 O ALA A 8 1.973 -11.865 -8.302 1.00 0.00 O ATOM 96 CB ALA A 8 4.249 -10.915 -5.882 1.00 0.00 C ATOM 0 H ALA A 8 3.967 -12.899 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 8 3.013 -12.640 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.662 -10.260 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.098 -11.307 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.610 -10.351 -6.742 1.00 0.00 H new ATOM 102 N THR A 9 1.392 -10.681 -6.535 1.00 0.00 N ATOM 103 CA THR A 9 0.209 -10.103 -7.240 1.00 0.00 C ATOM 104 C THR A 9 0.293 -8.574 -7.204 1.00 0.00 C ATOM 105 O THR A 9 0.998 -8.001 -6.396 1.00 0.00 O ATOM 106 CB THR A 9 -1.076 -10.563 -6.543 1.00 0.00 C ATOM 107 OG1 THR A 9 -0.963 -10.333 -5.146 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.302 -12.055 -6.799 1.00 0.00 C ATOM 0 H THR A 9 1.519 -10.364 -5.574 1.00 0.00 H new ATOM 0 HA THR A 9 0.200 -10.442 -8.276 1.00 0.00 H new ATOM 0 HB THR A 9 -1.921 -10.001 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.611 -10.893 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.217 -12.375 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.392 -12.231 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.458 -12.623 -6.408 1.00 0.00 H new ATOM 116 N CYS A 10 -0.417 -7.911 -8.082 1.00 0.00 N ATOM 117 CA CYS A 10 -0.373 -6.413 -8.117 1.00 0.00 C ATOM 118 C CYS A 10 -1.027 -5.835 -6.859 1.00 0.00 C ATOM 119 O CYS A 10 -1.724 -6.513 -6.137 1.00 0.00 O ATOM 120 CB CYS A 10 -1.089 -5.918 -9.375 1.00 0.00 C ATOM 121 SG CYS A 10 -1.728 -4.246 -9.123 1.00 0.00 S ATOM 0 H CYS A 10 -1.027 -8.341 -8.778 1.00 0.00 H new ATOM 0 HA CYS A 10 0.664 -6.078 -8.142 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.400 -5.927 -10.220 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.908 -6.593 -9.624 1.00 0.00 H new ATOM 126 N GLU A 11 -0.781 -4.587 -6.580 1.00 0.00 N ATOM 127 CA GLU A 11 -1.356 -3.958 -5.357 1.00 0.00 C ATOM 128 C GLU A 11 -2.852 -3.683 -5.529 1.00 0.00 C ATOM 129 O GLU A 11 -3.679 -4.209 -4.809 1.00 0.00 O ATOM 130 CB GLU A 11 -0.631 -2.634 -5.099 1.00 0.00 C ATOM 131 CG GLU A 11 -1.347 -1.845 -3.996 1.00 0.00 C ATOM 132 CD GLU A 11 -1.275 -2.620 -2.678 1.00 0.00 C ATOM 133 OE1 GLU A 11 -0.268 -2.502 -1.999 1.00 0.00 O ATOM 134 OE2 GLU A 11 -2.227 -3.319 -2.372 1.00 0.00 O ATOM 0 H GLU A 11 -0.202 -3.970 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.226 -4.641 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.401 -2.827 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.598 -2.044 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.885 -0.865 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.387 -1.676 -4.273 1.00 0.00 H new ATOM 141 N ARG A 12 -3.197 -2.828 -6.449 1.00 0.00 N ATOM 142 CA ARG A 12 -4.629 -2.466 -6.648 1.00 0.00 C ATOM 143 C ARG A 12 -5.432 -3.624 -7.245 1.00 0.00 C ATOM 144 O ARG A 12 -6.515 -3.933 -6.789 1.00 0.00 O ATOM 145 CB ARG A 12 -4.711 -1.275 -7.602 1.00 0.00 C ATOM 146 CG ARG A 12 -6.110 -0.663 -7.530 1.00 0.00 C ATOM 147 CD ARG A 12 -6.631 -0.398 -8.946 1.00 0.00 C ATOM 148 NE ARG A 12 -6.748 -1.695 -9.677 1.00 0.00 N ATOM 149 CZ ARG A 12 -7.407 -1.762 -10.805 1.00 0.00 C ATOM 150 NH1 ARG A 12 -7.954 -0.692 -11.312 1.00 0.00 N ATOM 151 NH2 ARG A 12 -7.513 -2.902 -11.427 1.00 0.00 N ATOM 0 H ARG A 12 -2.544 -2.360 -7.077 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.052 -2.222 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.962 -0.529 -7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.494 -1.595 -8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.786 -1.337 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.082 0.267 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.601 0.098 -8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.954 0.272 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.311 -2.534 -9.294 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.869 0.202 -10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.467 -0.749 -12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.083 -3.739 -11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.026 -2.957 -12.307 1.00 0.00 H new ATOM 165 N CYS A 13 -4.936 -4.234 -8.284 1.00 0.00 N ATOM 166 CA CYS A 13 -5.705 -5.335 -8.936 1.00 0.00 C ATOM 167 C CYS A 13 -5.355 -6.700 -8.333 1.00 0.00 C ATOM 168 O CYS A 13 -6.125 -7.636 -8.442 1.00 0.00 O ATOM 169 CB CYS A 13 -5.394 -5.329 -10.433 1.00 0.00 C ATOM 170 SG CYS A 13 -4.192 -6.622 -10.810 1.00 0.00 S ATOM 0 H CYS A 13 -4.034 -4.020 -8.711 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.769 -5.167 -8.769 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.308 -5.491 -11.005 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.001 -4.356 -10.729 1.00 0.00 H new ATOM 175 N LYS A 14 -4.212 -6.839 -7.708 1.00 0.00 N ATOM 176 CA LYS A 14 -3.846 -8.164 -7.120 1.00 0.00 C ATOM 177 C LYS A 14 -3.822 -9.219 -8.228 1.00 0.00 C ATOM 178 O LYS A 14 -4.277 -10.334 -8.055 1.00 0.00 O ATOM 179 CB LYS A 14 -4.869 -8.549 -6.039 1.00 0.00 C ATOM 180 CG LYS A 14 -4.164 -8.694 -4.686 1.00 0.00 C ATOM 181 CD LYS A 14 -3.710 -7.316 -4.188 1.00 0.00 C ATOM 182 CE LYS A 14 -4.428 -6.975 -2.880 1.00 0.00 C ATOM 183 NZ LYS A 14 -3.926 -5.669 -2.365 1.00 0.00 N ATOM 0 H LYS A 14 -3.522 -6.099 -7.580 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.858 -8.105 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.647 -7.789 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.359 -9.485 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.839 -9.149 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.305 -9.358 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.631 -7.313 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.926 -6.558 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.504 -6.924 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.256 -7.759 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.615 -5.272 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.017 -5.813 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.795 -5.010 -3.159 1.00 0.00 H new ATOM 197 N GLY A 15 -3.279 -8.874 -9.364 1.00 0.00 N ATOM 198 CA GLY A 15 -3.209 -9.849 -10.487 1.00 0.00 C ATOM 199 C GLY A 15 -1.874 -10.585 -10.421 1.00 0.00 C ATOM 200 O GLY A 15 -0.821 -9.975 -10.444 1.00 0.00 O ATOM 0 H GLY A 15 -2.880 -7.956 -9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.034 -10.558 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.308 -9.332 -11.442 1.00 0.00 H new ATOM 204 N GLY A 16 -1.908 -11.888 -10.331 1.00 0.00 N ATOM 205 CA GLY A 16 -0.640 -12.667 -10.258 1.00 0.00 C ATOM 206 C GLY A 16 0.208 -12.367 -11.494 1.00 0.00 C ATOM 207 O GLY A 16 -0.022 -12.904 -12.561 1.00 0.00 O ATOM 0 H GLY A 16 -2.761 -12.446 -10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.091 -12.406 -9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.858 -13.734 -10.202 1.00 0.00 H new ATOM 211 N PHE A 17 1.185 -11.512 -11.355 1.00 0.00 N ATOM 212 CA PHE A 17 2.055 -11.165 -12.516 1.00 0.00 C ATOM 213 C PHE A 17 3.434 -11.807 -12.336 1.00 0.00 C ATOM 214 O PHE A 17 3.656 -12.576 -11.420 1.00 0.00 O ATOM 215 CB PHE A 17 2.194 -9.635 -12.639 1.00 0.00 C ATOM 216 CG PHE A 17 2.311 -8.967 -11.276 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.817 -9.668 -10.170 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.925 -7.624 -11.127 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.931 -9.035 -8.932 1.00 0.00 C ATOM 220 CE2 PHE A 17 2.045 -6.994 -9.885 1.00 0.00 C ATOM 221 CZ PHE A 17 2.548 -7.700 -8.790 1.00 0.00 C ATOM 0 H PHE A 17 1.419 -11.037 -10.483 1.00 0.00 H new ATOM 0 HA PHE A 17 1.599 -11.547 -13.430 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.073 -9.397 -13.237 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.330 -9.233 -13.168 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.119 -10.699 -10.278 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.535 -7.078 -11.973 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.316 -9.579 -8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.749 -5.962 -9.772 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.641 -7.212 -7.831 1.00 0.00 H new ATOM 231 N ALA A 18 4.359 -11.498 -13.206 1.00 0.00 N ATOM 232 CA ALA A 18 5.724 -12.088 -13.091 1.00 0.00 C ATOM 233 C ALA A 18 6.641 -11.499 -14.178 1.00 0.00 C ATOM 234 O ALA A 18 7.681 -10.956 -13.862 1.00 0.00 O ATOM 235 CB ALA A 18 5.649 -13.613 -13.242 1.00 0.00 C ATOM 0 H ALA A 18 4.227 -10.862 -13.992 1.00 0.00 H new ATOM 0 HA ALA A 18 6.134 -11.848 -12.110 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.650 -14.037 -13.157 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.013 -14.025 -12.459 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.231 -13.862 -14.218 1.00 0.00 H new ATOM 241 N PRO A 19 6.236 -11.620 -15.428 1.00 0.00 N ATOM 242 CA PRO A 19 7.029 -11.095 -16.558 1.00 0.00 C ATOM 243 C PRO A 19 7.177 -9.574 -16.439 1.00 0.00 C ATOM 244 O PRO A 19 6.318 -8.900 -15.908 1.00 0.00 O ATOM 245 CB PRO A 19 6.226 -11.462 -17.814 1.00 0.00 C ATOM 246 CG PRO A 19 4.939 -12.194 -17.352 1.00 0.00 C ATOM 247 CD PRO A 19 4.974 -12.282 -15.818 1.00 0.00 C ATOM 0 HA PRO A 19 8.036 -11.511 -16.584 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.974 -10.567 -18.382 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.815 -12.102 -18.471 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.052 -11.654 -17.684 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.888 -13.190 -17.791 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.113 -11.783 -15.374 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.951 -13.318 -15.481 1.00 0.00 H new ATOM 255 N ALA A 20 8.260 -9.031 -16.932 1.00 0.00 N ATOM 256 CA ALA A 20 8.470 -7.554 -16.851 1.00 0.00 C ATOM 257 C ALA A 20 7.358 -6.825 -17.613 1.00 0.00 C ATOM 258 O ALA A 20 7.163 -5.635 -17.453 1.00 0.00 O ATOM 259 CB ALA A 20 9.826 -7.201 -17.466 1.00 0.00 C ATOM 0 H ALA A 20 9.011 -9.549 -17.389 1.00 0.00 H new ATOM 0 HA ALA A 20 8.448 -7.245 -15.806 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.982 -6.124 -17.408 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.618 -7.712 -16.919 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.845 -7.515 -18.510 1.00 0.00 H new ATOM 265 N GLU A 21 6.626 -7.529 -18.438 1.00 0.00 N ATOM 266 CA GLU A 21 5.524 -6.882 -19.208 1.00 0.00 C ATOM 267 C GLU A 21 4.290 -6.758 -18.311 1.00 0.00 C ATOM 268 O GLU A 21 3.397 -5.975 -18.570 1.00 0.00 O ATOM 269 CB GLU A 21 5.189 -7.742 -20.431 1.00 0.00 C ATOM 270 CG GLU A 21 4.366 -6.923 -21.433 1.00 0.00 C ATOM 271 CD GLU A 21 3.000 -7.583 -21.640 1.00 0.00 C ATOM 272 OE1 GLU A 21 2.920 -8.497 -22.444 1.00 0.00 O ATOM 273 OE2 GLU A 21 2.057 -7.163 -20.990 1.00 0.00 O ATOM 0 H GLU A 21 6.745 -8.527 -18.611 1.00 0.00 H new ATOM 0 HA GLU A 21 5.835 -5.891 -19.538 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.107 -8.094 -20.902 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.630 -8.626 -20.123 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.237 -5.905 -21.066 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.895 -6.855 -22.383 1.00 0.00 H new ATOM 280 N LYS A 22 4.242 -7.528 -17.254 1.00 0.00 N ATOM 281 CA LYS A 22 3.077 -7.468 -16.324 1.00 0.00 C ATOM 282 C LYS A 22 3.559 -7.028 -14.939 1.00 0.00 C ATOM 283 O LYS A 22 2.908 -6.259 -14.259 1.00 0.00 O ATOM 284 CB LYS A 22 2.434 -8.855 -16.222 1.00 0.00 C ATOM 285 CG LYS A 22 1.622 -9.147 -17.489 1.00 0.00 C ATOM 286 CD LYS A 22 0.246 -8.478 -17.388 1.00 0.00 C ATOM 287 CE LYS A 22 0.088 -7.448 -18.508 1.00 0.00 C ATOM 288 NZ LYS A 22 -0.176 -8.150 -19.795 1.00 0.00 N ATOM 0 H LYS A 22 4.965 -8.199 -16.995 1.00 0.00 H new ATOM 0 HA LYS A 22 2.344 -6.755 -16.701 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.205 -9.614 -16.090 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.787 -8.902 -15.346 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.153 -8.777 -18.366 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.505 -10.223 -17.617 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.540 -9.230 -17.459 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.137 -7.994 -16.418 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.732 -6.768 -18.278 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.991 -6.843 -18.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.592 -7.945 -20.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.225 -9.175 -19.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.079 -7.820 -20.191 1.00 0.00 H new ATOM 302 N ILE A 23 4.696 -7.516 -14.519 1.00 0.00 N ATOM 303 CA ILE A 23 5.231 -7.137 -13.181 1.00 0.00 C ATOM 304 C ILE A 23 5.863 -5.742 -13.261 1.00 0.00 C ATOM 305 O ILE A 23 6.751 -5.497 -14.055 1.00 0.00 O ATOM 306 CB ILE A 23 6.279 -8.184 -12.740 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.760 -8.949 -11.514 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.616 -7.516 -12.386 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.668 -8.011 -10.306 1.00 0.00 C ATOM 0 H ILE A 23 5.279 -8.164 -15.049 1.00 0.00 H new ATOM 0 HA ILE A 23 4.425 -7.113 -12.448 1.00 0.00 H new ATOM 0 HB ILE A 23 6.442 -8.870 -13.571 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.780 -9.374 -11.729 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.426 -9.782 -11.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.333 -8.277 -12.079 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.000 -6.986 -13.258 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.465 -6.810 -11.569 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.299 -8.565 -9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.656 -7.607 -10.083 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.984 -7.193 -10.532 1.00 0.00 H new ATOM 321 N VAL A 24 5.414 -4.833 -12.437 1.00 0.00 N ATOM 322 CA VAL A 24 5.992 -3.459 -12.444 1.00 0.00 C ATOM 323 C VAL A 24 6.173 -3.011 -10.997 1.00 0.00 C ATOM 324 O VAL A 24 5.217 -2.709 -10.315 1.00 0.00 O ATOM 325 CB VAL A 24 5.050 -2.479 -13.156 1.00 0.00 C ATOM 326 CG1 VAL A 24 5.846 -1.260 -13.633 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.394 -3.163 -14.361 1.00 0.00 C ATOM 0 H VAL A 24 4.669 -4.984 -11.757 1.00 0.00 H new ATOM 0 HA VAL A 24 6.945 -3.470 -12.972 1.00 0.00 H new ATOM 0 HB VAL A 24 4.274 -2.161 -12.460 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.177 -0.564 -14.139 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.303 -0.766 -12.776 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.625 -1.582 -14.324 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.727 -2.460 -14.860 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.165 -3.489 -15.059 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.822 -4.027 -14.022 1.00 0.00 H new ATOM 337 N ASN A 25 7.386 -2.967 -10.521 1.00 0.00 N ATOM 338 CA ASN A 25 7.618 -2.535 -9.115 1.00 0.00 C ATOM 339 C ASN A 25 8.110 -1.091 -9.119 1.00 0.00 C ATOM 340 O ASN A 25 8.735 -0.640 -10.060 1.00 0.00 O ATOM 341 CB ASN A 25 8.658 -3.447 -8.458 1.00 0.00 C ATOM 342 CG ASN A 25 9.309 -2.730 -7.271 1.00 0.00 C ATOM 343 OD1 ASN A 25 8.822 -2.802 -6.160 1.00 0.00 O ATOM 344 ND2 ASN A 25 10.397 -2.036 -7.460 1.00 0.00 N ATOM 0 H ASN A 25 8.226 -3.211 -11.045 1.00 0.00 H new ATOM 0 HA ASN A 25 6.690 -2.602 -8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.184 -4.369 -8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.419 -3.728 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.838 -1.555 -6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.807 -1.974 -8.392 1.00 0.00 H new ATOM 351 N SER A 26 7.826 -0.362 -8.078 1.00 0.00 N ATOM 352 CA SER A 26 8.266 1.054 -8.021 1.00 0.00 C ATOM 353 C SER A 26 8.448 1.471 -6.559 1.00 0.00 C ATOM 354 O SER A 26 7.551 1.327 -5.749 1.00 0.00 O ATOM 355 CB SER A 26 7.210 1.931 -8.701 1.00 0.00 C ATOM 356 OG SER A 26 6.192 2.256 -7.765 1.00 0.00 O ATOM 0 H SER A 26 7.307 -0.688 -7.263 1.00 0.00 H new ATOM 0 HA SER A 26 9.217 1.174 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.670 2.841 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.780 1.406 -9.554 1.00 0.00 H new ATOM 0 HG SER A 26 5.414 1.679 -7.914 1.00 0.00 H new ATOM 362 N ASN A 27 9.613 1.975 -6.225 1.00 0.00 N ATOM 363 CA ASN A 27 9.906 2.408 -4.821 1.00 0.00 C ATOM 364 C ASN A 27 9.925 1.197 -3.881 1.00 0.00 C ATOM 365 O ASN A 27 10.817 1.049 -3.069 1.00 0.00 O ATOM 366 CB ASN A 27 8.858 3.426 -4.348 1.00 0.00 C ATOM 367 CG ASN A 27 9.018 4.731 -5.137 1.00 0.00 C ATOM 368 OD1 ASN A 27 9.326 4.711 -6.312 1.00 0.00 O ATOM 369 ND2 ASN A 27 8.821 5.872 -4.536 1.00 0.00 N ATOM 0 H ASN A 27 10.386 2.107 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 27 10.888 2.880 -4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.855 3.024 -4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.977 3.617 -3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.926 6.745 -5.053 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.562 5.891 -3.550 1.00 0.00 H new ATOM 376 N GLY A 28 8.957 0.330 -3.988 1.00 0.00 N ATOM 377 CA GLY A 28 8.925 -0.872 -3.102 1.00 0.00 C ATOM 378 C GLY A 28 7.617 -1.642 -3.308 1.00 0.00 C ATOM 379 O GLY A 28 7.541 -2.827 -3.046 1.00 0.00 O ATOM 0 H GLY A 28 8.185 0.400 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.775 -1.518 -3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.017 -0.568 -2.059 1.00 0.00 H new ATOM 383 N GLU A 29 6.586 -0.982 -3.772 1.00 0.00 N ATOM 384 CA GLU A 29 5.284 -1.684 -3.989 1.00 0.00 C ATOM 385 C GLU A 29 5.252 -2.282 -5.399 1.00 0.00 C ATOM 386 O GLU A 29 6.137 -2.051 -6.200 1.00 0.00 O ATOM 387 CB GLU A 29 4.136 -0.686 -3.834 1.00 0.00 C ATOM 388 CG GLU A 29 3.100 -1.225 -2.843 1.00 0.00 C ATOM 389 CD GLU A 29 1.866 -0.319 -2.856 1.00 0.00 C ATOM 390 OE1 GLU A 29 1.373 -0.034 -3.936 1.00 0.00 O ATOM 391 OE2 GLU A 29 1.434 0.077 -1.786 1.00 0.00 O ATOM 0 H GLU A 29 6.589 0.010 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 29 5.176 -2.482 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.521 0.272 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.667 -0.507 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.820 -2.244 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.526 -1.264 -1.840 1.00 0.00 H new ATOM 398 N LEU A 30 4.235 -3.050 -5.705 1.00 0.00 N ATOM 399 CA LEU A 30 4.136 -3.671 -7.058 1.00 0.00 C ATOM 400 C LEU A 30 2.882 -3.159 -7.772 1.00 0.00 C ATOM 401 O LEU A 30 1.851 -2.943 -7.162 1.00 0.00 O ATOM 402 CB LEU A 30 4.044 -5.191 -6.909 1.00 0.00 C ATOM 403 CG LEU A 30 5.428 -5.825 -7.082 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.423 -5.186 -6.108 1.00 0.00 C ATOM 405 CD2 LEU A 30 5.342 -7.327 -6.799 1.00 0.00 C ATOM 0 H LEU A 30 3.467 -3.273 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 30 5.018 -3.407 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.640 -5.444 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.356 -5.595 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 30 5.768 -5.660 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.404 -5.643 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.491 -4.117 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.082 -5.343 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.327 -7.777 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.996 -7.486 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.642 -7.789 -7.495 1.00 0.00 H new ATOM 417 N TYR A 31 2.965 -2.970 -9.063 1.00 0.00 N ATOM 418 CA TYR A 31 1.787 -2.475 -9.835 1.00 0.00 C ATOM 419 C TYR A 31 1.806 -3.086 -11.240 1.00 0.00 C ATOM 420 O TYR A 31 2.744 -3.755 -11.635 1.00 0.00 O ATOM 421 CB TYR A 31 1.842 -0.941 -9.981 1.00 0.00 C ATOM 422 CG TYR A 31 2.502 -0.293 -8.781 1.00 0.00 C ATOM 423 CD1 TYR A 31 3.875 -0.457 -8.557 1.00 0.00 C ATOM 424 CD2 TYR A 31 1.742 0.492 -7.905 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.485 0.160 -7.464 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.353 1.108 -6.807 1.00 0.00 C ATOM 427 CZ TYR A 31 3.726 0.943 -6.588 1.00 0.00 C ATOM 428 OH TYR A 31 4.331 1.558 -5.512 1.00 0.00 O ATOM 0 H TYR A 31 3.803 -3.138 -9.619 1.00 0.00 H new ATOM 0 HA TYR A 31 0.881 -2.761 -9.300 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.392 -0.680 -10.885 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.832 -0.549 -10.098 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.463 -1.062 -9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.684 0.622 -8.077 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.544 0.033 -7.294 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.766 1.710 -6.129 1.00 0.00 H new ATOM 0 HH TYR A 31 5.225 1.864 -5.771 1.00 0.00 H new ATOM 438 N HIS A 32 0.779 -2.823 -11.999 1.00 0.00 N ATOM 439 CA HIS A 32 0.695 -3.326 -13.398 1.00 0.00 C ATOM 440 C HIS A 32 0.856 -2.132 -14.327 1.00 0.00 C ATOM 441 O HIS A 32 0.992 -1.008 -13.884 1.00 0.00 O ATOM 442 CB HIS A 32 -0.688 -3.934 -13.651 1.00 0.00 C ATOM 443 CG HIS A 32 -0.682 -5.403 -13.363 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.441 -5.947 -12.347 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.041 -6.458 -13.963 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.245 -7.277 -12.359 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.400 -7.641 -13.327 1.00 0.00 N ATOM 0 H HIS A 32 -0.023 -2.268 -11.701 1.00 0.00 H new ATOM 0 HA HIS A 32 1.464 -4.080 -13.568 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.429 -3.439 -13.023 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.982 -3.763 -14.687 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.637 -6.381 -14.800 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.713 -7.966 -11.671 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.085 -8.585 -13.552 1.00 0.00 H new ATOM 455 N GLU A 33 0.805 -2.348 -15.607 1.00 0.00 N ATOM 456 CA GLU A 33 0.919 -1.203 -16.548 1.00 0.00 C ATOM 457 C GLU A 33 -0.416 -0.460 -16.545 1.00 0.00 C ATOM 458 O GLU A 33 -0.590 0.542 -17.209 1.00 0.00 O ATOM 459 CB GLU A 33 1.238 -1.711 -17.961 1.00 0.00 C ATOM 460 CG GLU A 33 1.940 -3.071 -17.876 1.00 0.00 C ATOM 461 CD GLU A 33 0.912 -4.194 -18.039 1.00 0.00 C ATOM 462 OE1 GLU A 33 0.547 -4.478 -19.168 1.00 0.00 O ATOM 463 OE2 GLU A 33 0.508 -4.751 -17.031 1.00 0.00 O ATOM 0 H GLU A 33 0.690 -3.263 -16.043 1.00 0.00 H new ATOM 0 HA GLU A 33 1.724 -0.536 -16.239 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.320 -1.801 -18.541 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.874 -0.994 -18.480 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.702 -3.147 -18.652 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.450 -3.168 -16.918 1.00 0.00 H new ATOM 470 N GLN A 34 -1.358 -0.953 -15.784 1.00 0.00 N ATOM 471 CA GLN A 34 -2.695 -0.298 -15.700 1.00 0.00 C ATOM 472 C GLN A 34 -3.285 -0.531 -14.305 1.00 0.00 C ATOM 473 O GLN A 34 -4.411 -0.968 -14.160 1.00 0.00 O ATOM 474 CB GLN A 34 -3.627 -0.891 -16.764 1.00 0.00 C ATOM 475 CG GLN A 34 -3.207 -0.399 -18.153 1.00 0.00 C ATOM 476 CD GLN A 34 -4.332 -0.669 -19.155 1.00 0.00 C ATOM 477 OE1 GLN A 34 -5.153 0.189 -19.410 1.00 0.00 O ATOM 478 NE2 GLN A 34 -4.406 -1.835 -19.736 1.00 0.00 N ATOM 0 H GLN A 34 -1.256 -1.791 -15.211 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.590 0.773 -15.875 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.590 -1.980 -16.727 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.658 -0.600 -16.561 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.984 0.667 -18.120 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.295 -0.906 -18.469 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.717 -2.556 -19.522 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.153 -2.025 -20.404 1.00 0.00 H new ATOM 487 N CYS A 35 -2.531 -0.233 -13.278 1.00 0.00 N ATOM 488 CA CYS A 35 -3.041 -0.425 -11.889 1.00 0.00 C ATOM 489 C CYS A 35 -2.482 0.679 -10.982 1.00 0.00 C ATOM 490 O CYS A 35 -2.845 0.780 -9.827 1.00 0.00 O ATOM 491 CB CYS A 35 -2.605 -1.795 -11.358 1.00 0.00 C ATOM 492 SG CYS A 35 -3.555 -3.105 -12.173 1.00 0.00 S ATOM 0 H CYS A 35 -1.582 0.136 -13.343 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.130 -0.375 -11.896 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.540 -1.942 -11.537 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.756 -1.841 -10.280 1.00 0.00 H new ATOM 497 N PHE A 36 -1.612 1.515 -11.498 1.00 0.00 N ATOM 498 CA PHE A 36 -1.047 2.624 -10.667 1.00 0.00 C ATOM 499 C PHE A 36 -2.209 3.452 -10.098 1.00 0.00 C ATOM 500 O PHE A 36 -2.912 4.116 -10.832 1.00 0.00 O ATOM 501 CB PHE A 36 -0.184 3.527 -11.558 1.00 0.00 C ATOM 502 CG PHE A 36 1.192 2.927 -11.756 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.336 1.632 -12.271 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.328 3.679 -11.434 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.615 1.093 -12.459 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.605 3.140 -11.621 1.00 0.00 C ATOM 507 CZ PHE A 36 3.749 1.846 -12.134 1.00 0.00 C ATOM 0 H PHE A 36 -1.270 1.477 -12.458 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.443 2.215 -9.857 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.669 3.663 -12.525 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.094 4.514 -11.105 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.462 1.050 -12.523 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.218 4.679 -11.040 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.726 0.095 -12.855 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.479 3.722 -11.370 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.735 1.429 -12.279 1.00 0.00 H new ATOM 517 N VAL A 37 -2.425 3.413 -8.805 1.00 0.00 N ATOM 518 CA VAL A 37 -3.557 4.198 -8.210 1.00 0.00 C ATOM 519 C VAL A 37 -3.063 5.064 -7.048 1.00 0.00 C ATOM 520 O VAL A 37 -1.945 4.941 -6.587 1.00 0.00 O ATOM 521 CB VAL A 37 -4.658 3.261 -7.686 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.829 3.240 -8.668 1.00 0.00 C ATOM 523 CG2 VAL A 37 -4.124 1.837 -7.520 1.00 0.00 C ATOM 0 H VAL A 37 -1.871 2.876 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.962 4.833 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.989 3.633 -6.716 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.607 2.575 -8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.233 4.247 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.484 2.883 -9.638 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.919 1.191 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.775 1.465 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.297 1.839 -6.810 1.00 0.00 H new ATOM 533 N CYS A 38 -3.913 5.939 -6.578 1.00 0.00 N ATOM 534 CA CYS A 38 -3.549 6.836 -5.440 1.00 0.00 C ATOM 535 C CYS A 38 -4.062 6.223 -4.132 1.00 0.00 C ATOM 536 O CYS A 38 -5.238 5.974 -3.972 1.00 0.00 O ATOM 537 CB CYS A 38 -4.205 8.204 -5.676 1.00 0.00 C ATOM 538 SG CYS A 38 -3.685 9.401 -4.416 1.00 0.00 S ATOM 0 H CYS A 38 -4.857 6.072 -6.939 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.467 6.954 -5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.938 8.574 -6.666 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.290 8.099 -5.657 1.00 0.00 H new ATOM 543 N ALA A 39 -3.184 5.967 -3.198 1.00 0.00 N ATOM 544 CA ALA A 39 -3.612 5.356 -1.900 1.00 0.00 C ATOM 545 C ALA A 39 -4.673 6.230 -1.219 1.00 0.00 C ATOM 546 O ALA A 39 -5.279 5.828 -0.244 1.00 0.00 O ATOM 547 CB ALA A 39 -2.398 5.227 -0.974 1.00 0.00 C ATOM 0 H ALA A 39 -2.185 6.155 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.037 4.372 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.707 4.782 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.647 4.593 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.975 6.214 -0.789 1.00 0.00 H new ATOM 553 N GLN A 40 -4.897 7.420 -1.714 1.00 0.00 N ATOM 554 CA GLN A 40 -5.912 8.315 -1.084 1.00 0.00 C ATOM 555 C GLN A 40 -7.163 8.401 -1.966 1.00 0.00 C ATOM 556 O GLN A 40 -8.225 7.946 -1.590 1.00 0.00 O ATOM 557 CB GLN A 40 -5.305 9.710 -0.904 1.00 0.00 C ATOM 558 CG GLN A 40 -4.016 9.600 -0.082 1.00 0.00 C ATOM 559 CD GLN A 40 -3.528 10.996 0.310 1.00 0.00 C ATOM 560 OE1 GLN A 40 -2.327 11.373 -0.033 1.00 0.00 O flip ATOM 561 NE2 GLN A 40 -4.245 11.750 0.935 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.421 7.810 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.199 7.910 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.093 10.155 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.016 10.366 -0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.195 9.003 0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.248 9.086 -0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.184 11.456 1.203 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.909 12.678 1.192 1.00 0.00 H new ATOM 570 N CYS A 41 -7.051 8.987 -3.131 1.00 0.00 N ATOM 571 CA CYS A 41 -8.242 9.108 -4.029 1.00 0.00 C ATOM 572 C CYS A 41 -8.403 7.835 -4.865 1.00 0.00 C ATOM 573 O CYS A 41 -9.395 7.653 -5.543 1.00 0.00 O ATOM 574 CB CYS A 41 -8.056 10.303 -4.964 1.00 0.00 C ATOM 575 SG CYS A 41 -6.829 9.891 -6.231 1.00 0.00 S ATOM 0 H CYS A 41 -6.188 9.387 -3.500 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.133 9.251 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.005 10.563 -5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.731 11.175 -4.397 1.00 0.00 H new ATOM 580 N PHE A 42 -7.431 6.962 -4.826 1.00 0.00 N ATOM 581 CA PHE A 42 -7.508 5.697 -5.619 1.00 0.00 C ATOM 582 C PHE A 42 -7.601 6.023 -7.111 1.00 0.00 C ATOM 583 O PHE A 42 -8.022 5.207 -7.909 1.00 0.00 O ATOM 584 CB PHE A 42 -8.731 4.880 -5.189 1.00 0.00 C ATOM 585 CG PHE A 42 -8.766 4.786 -3.680 1.00 0.00 C ATOM 586 CD1 PHE A 42 -7.735 4.131 -2.995 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.827 5.357 -2.966 1.00 0.00 C ATOM 588 CE1 PHE A 42 -7.766 4.045 -1.599 1.00 0.00 C ATOM 589 CE2 PHE A 42 -9.857 5.272 -1.569 1.00 0.00 C ATOM 590 CZ PHE A 42 -8.826 4.616 -0.886 1.00 0.00 C ATOM 0 H PHE A 42 -6.580 7.071 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.608 5.110 -5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.643 5.350 -5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.688 3.882 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.916 3.692 -3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.622 5.863 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.972 3.538 -1.072 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.675 5.712 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.849 4.551 0.192 1.00 0.00 H new ATOM 600 N GLN A 43 -7.193 7.205 -7.497 1.00 0.00 N ATOM 601 CA GLN A 43 -7.236 7.575 -8.938 1.00 0.00 C ATOM 602 C GLN A 43 -6.273 6.657 -9.688 1.00 0.00 C ATOM 603 O GLN A 43 -5.090 6.631 -9.403 1.00 0.00 O ATOM 604 CB GLN A 43 -6.804 9.036 -9.109 1.00 0.00 C ATOM 605 CG GLN A 43 -6.814 9.413 -10.593 1.00 0.00 C ATOM 606 CD GLN A 43 -6.199 10.803 -10.771 1.00 0.00 C ATOM 607 OE1 GLN A 43 -6.907 11.781 -10.907 1.00 0.00 O ATOM 608 NE2 GLN A 43 -4.902 10.932 -10.774 1.00 0.00 N ATOM 0 H GLN A 43 -6.832 7.928 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.247 7.464 -9.331 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.476 9.690 -8.554 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -5.806 9.180 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -6.252 8.678 -11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.835 9.404 -10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.308 10.111 -10.660 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.481 11.854 -10.890 1.00 0.00 H new ATOM 617 N GLN A 44 -6.770 5.892 -10.622 1.00 0.00 N ATOM 618 CA GLN A 44 -5.882 4.957 -11.375 1.00 0.00 C ATOM 619 C GLN A 44 -5.255 5.681 -12.566 1.00 0.00 C ATOM 620 O GLN A 44 -5.868 6.530 -13.186 1.00 0.00 O ATOM 621 CB GLN A 44 -6.686 3.740 -11.871 1.00 0.00 C ATOM 622 CG GLN A 44 -8.093 3.746 -11.258 1.00 0.00 C ATOM 623 CD GLN A 44 -8.738 2.369 -11.435 1.00 0.00 C ATOM 624 OE1 GLN A 44 -9.274 1.777 -10.403 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -8.755 1.827 -12.522 1.00 0.00 N flip ATOM 0 H GLN A 44 -7.752 5.873 -10.897 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.093 4.611 -10.708 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.756 3.760 -12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.168 2.819 -11.602 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.038 3.999 -10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.706 4.510 -11.737 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.336 2.289 -13.329 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.188 0.910 -12.628 1.00 0.00 H new ATOM 634 N PHE A 45 -4.033 5.345 -12.885 1.00 0.00 N ATOM 635 CA PHE A 45 -3.337 5.996 -14.031 1.00 0.00 C ATOM 636 C PHE A 45 -2.642 4.904 -14.863 1.00 0.00 C ATOM 637 O PHE A 45 -1.788 4.203 -14.358 1.00 0.00 O ATOM 638 CB PHE A 45 -2.304 6.994 -13.489 1.00 0.00 C ATOM 639 CG PHE A 45 -2.079 8.099 -14.497 1.00 0.00 C ATOM 640 CD1 PHE A 45 -1.579 7.800 -15.770 1.00 0.00 C ATOM 641 CD2 PHE A 45 -2.370 9.426 -14.155 1.00 0.00 C ATOM 642 CE1 PHE A 45 -1.371 8.826 -16.700 1.00 0.00 C ATOM 643 CE2 PHE A 45 -2.162 10.451 -15.085 1.00 0.00 C ATOM 644 CZ PHE A 45 -1.663 10.150 -16.358 1.00 0.00 C ATOM 0 H PHE A 45 -3.483 4.640 -12.395 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.048 6.533 -14.659 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.652 7.415 -12.546 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.364 6.482 -13.282 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.354 6.778 -16.035 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.755 9.658 -13.173 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.985 8.595 -17.682 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.386 11.474 -14.821 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.504 10.941 -17.076 1.00 0.00 H new ATOM 654 N PRO A 46 -3.043 4.776 -16.110 1.00 0.00 N ATOM 655 CA PRO A 46 -2.479 3.755 -17.018 1.00 0.00 C ATOM 656 C PRO A 46 -0.961 3.919 -17.160 1.00 0.00 C ATOM 657 O PRO A 46 -0.487 4.819 -17.825 1.00 0.00 O ATOM 658 CB PRO A 46 -3.183 3.990 -18.361 1.00 0.00 C ATOM 659 CG PRO A 46 -4.176 5.166 -18.175 1.00 0.00 C ATOM 660 CD PRO A 46 -4.079 5.636 -16.714 1.00 0.00 C ATOM 0 HA PRO A 46 -2.638 2.744 -16.642 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.455 4.224 -19.138 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.711 3.091 -18.678 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.934 5.982 -18.856 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.192 4.848 -18.407 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.803 6.689 -16.655 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.033 5.527 -16.199 1.00 0.00 H new ATOM 668 N GLU A 47 -0.207 3.036 -16.537 1.00 0.00 N ATOM 669 CA GLU A 47 1.292 3.088 -16.608 1.00 0.00 C ATOM 670 C GLU A 47 1.777 4.529 -16.778 1.00 0.00 C ATOM 671 O GLU A 47 2.588 4.828 -17.635 1.00 0.00 O ATOM 672 CB GLU A 47 1.789 2.231 -17.784 1.00 0.00 C ATOM 673 CG GLU A 47 0.981 2.545 -19.049 1.00 0.00 C ATOM 674 CD GLU A 47 1.469 1.659 -20.197 1.00 0.00 C ATOM 675 OE1 GLU A 47 0.949 0.564 -20.338 1.00 0.00 O ATOM 676 OE2 GLU A 47 2.355 2.090 -20.918 1.00 0.00 O ATOM 0 H GLU A 47 -0.575 2.270 -15.974 1.00 0.00 H new ATOM 0 HA GLU A 47 1.695 2.694 -15.675 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.847 2.424 -17.962 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.695 1.173 -17.537 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.080 2.373 -18.868 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.093 3.596 -19.314 1.00 0.00 H new ATOM 683 N GLY A 48 1.285 5.426 -15.968 1.00 0.00 N ATOM 684 CA GLY A 48 1.712 6.849 -16.083 1.00 0.00 C ATOM 685 C GLY A 48 2.902 7.110 -15.160 1.00 0.00 C ATOM 686 O GLY A 48 3.476 8.182 -15.174 1.00 0.00 O ATOM 0 H GLY A 48 0.606 5.235 -15.231 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.984 7.074 -17.114 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.885 7.509 -15.820 1.00 0.00 H new ATOM 690 N LEU A 49 3.272 6.146 -14.352 1.00 0.00 N ATOM 691 CA LEU A 49 4.420 6.350 -13.416 1.00 0.00 C ATOM 692 C LEU A 49 4.228 7.693 -12.708 1.00 0.00 C ATOM 693 O LEU A 49 5.028 8.601 -12.830 1.00 0.00 O ATOM 694 CB LEU A 49 5.738 6.347 -14.204 1.00 0.00 C ATOM 695 CG LEU A 49 6.843 5.696 -13.363 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.087 5.485 -14.230 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.196 6.607 -12.181 1.00 0.00 C ATOM 0 H LEU A 49 2.829 5.229 -14.301 1.00 0.00 H new ATOM 0 HA LEU A 49 4.458 5.546 -12.681 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.612 5.803 -15.140 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.019 7.367 -14.464 1.00 0.00 H new ATOM 0 HG LEU A 49 6.491 4.735 -12.988 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.873 5.022 -13.633 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.839 4.835 -15.070 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.436 6.447 -14.606 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.981 6.142 -11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.546 7.569 -12.555 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.312 6.758 -11.562 1.00 0.00 H new ATOM 709 N PHE A 50 3.151 7.824 -11.983 1.00 0.00 N ATOM 710 CA PHE A 50 2.868 9.100 -11.280 1.00 0.00 C ATOM 711 C PHE A 50 3.745 9.214 -10.027 1.00 0.00 C ATOM 712 O PHE A 50 4.947 9.376 -10.123 1.00 0.00 O ATOM 713 CB PHE A 50 1.377 9.160 -10.914 1.00 0.00 C ATOM 714 CG PHE A 50 0.902 7.873 -10.247 1.00 0.00 C ATOM 715 CD1 PHE A 50 1.810 6.950 -9.706 1.00 0.00 C ATOM 716 CD2 PHE A 50 -0.474 7.624 -10.150 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.340 5.797 -9.071 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.938 6.467 -9.517 1.00 0.00 C ATOM 719 CZ PHE A 50 -0.031 5.555 -8.976 1.00 0.00 C ATOM 0 H PHE A 50 2.452 7.094 -11.849 1.00 0.00 H new ATOM 0 HA PHE A 50 3.102 9.940 -11.934 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.201 10.002 -10.244 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.789 9.341 -11.814 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.872 7.131 -9.780 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.179 8.329 -10.566 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.041 5.090 -8.652 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.999 6.279 -9.447 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.390 4.663 -8.484 1.00 0.00 H new ATOM 729 N TYR A 51 3.164 9.134 -8.856 1.00 0.00 N ATOM 730 CA TYR A 51 3.980 9.239 -7.618 1.00 0.00 C ATOM 731 C TYR A 51 3.769 8.003 -6.732 1.00 0.00 C ATOM 732 O TYR A 51 3.416 8.106 -5.573 1.00 0.00 O ATOM 733 CB TYR A 51 3.588 10.512 -6.860 1.00 0.00 C ATOM 734 CG TYR A 51 4.723 11.505 -6.938 1.00 0.00 C ATOM 735 CD1 TYR A 51 5.900 11.273 -6.217 1.00 0.00 C ATOM 736 CD2 TYR A 51 4.601 12.653 -7.730 1.00 0.00 C ATOM 737 CE1 TYR A 51 6.955 12.188 -6.287 1.00 0.00 C ATOM 738 CE2 TYR A 51 5.657 13.569 -7.801 1.00 0.00 C ATOM 739 CZ TYR A 51 6.834 13.337 -7.079 1.00 0.00 C ATOM 740 OH TYR A 51 7.876 14.239 -7.148 1.00 0.00 O ATOM 0 H TYR A 51 2.164 9.001 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 51 5.035 9.289 -7.886 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.683 10.941 -7.290 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.366 10.276 -5.819 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.993 10.387 -5.606 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.692 12.832 -8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.863 12.009 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.564 14.454 -8.412 1.00 0.00 H new ATOM 0 HH TYR A 51 7.629 14.979 -7.741 1.00 0.00 H new ATOM 750 N GLU A 52 4.006 6.834 -7.267 1.00 0.00 N ATOM 751 CA GLU A 52 3.846 5.591 -6.453 1.00 0.00 C ATOM 752 C GLU A 52 4.935 5.574 -5.373 1.00 0.00 C ATOM 753 O GLU A 52 5.896 6.314 -5.449 1.00 0.00 O ATOM 754 CB GLU A 52 3.980 4.343 -7.347 1.00 0.00 C ATOM 755 CG GLU A 52 4.722 4.683 -8.651 1.00 0.00 C ATOM 756 CD GLU A 52 6.047 5.392 -8.337 1.00 0.00 C ATOM 757 OE1 GLU A 52 6.844 4.828 -7.608 1.00 0.00 O ATOM 758 OE2 GLU A 52 6.240 6.489 -8.837 1.00 0.00 O ATOM 0 H GLU A 52 4.303 6.685 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 52 2.858 5.579 -5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.518 3.562 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.991 3.948 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.914 3.772 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.099 5.322 -9.277 1.00 0.00 H new ATOM 765 N PHE A 53 4.798 4.750 -4.365 1.00 0.00 N ATOM 766 CA PHE A 53 5.840 4.720 -3.294 1.00 0.00 C ATOM 767 C PHE A 53 5.941 3.317 -2.686 1.00 0.00 C ATOM 768 O PHE A 53 5.135 2.450 -2.956 1.00 0.00 O ATOM 769 CB PHE A 53 5.477 5.735 -2.202 1.00 0.00 C ATOM 770 CG PHE A 53 6.490 6.858 -2.200 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.287 7.993 -3.000 1.00 0.00 C ATOM 772 CD2 PHE A 53 7.634 6.765 -1.397 1.00 0.00 C ATOM 773 CE1 PHE A 53 7.229 9.029 -2.995 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.573 7.803 -1.394 1.00 0.00 C ATOM 775 CZ PHE A 53 8.371 8.934 -2.193 1.00 0.00 C ATOM 0 H PHE A 53 4.019 4.104 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 53 6.805 4.980 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.478 6.133 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.458 5.246 -1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.405 8.067 -3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.791 5.892 -0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.074 9.902 -3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.455 7.731 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.097 9.734 -2.190 1.00 0.00 H new ATOM 785 N GLU A 54 6.937 3.093 -1.867 1.00 0.00 N ATOM 786 CA GLU A 54 7.113 1.753 -1.234 1.00 0.00 C ATOM 787 C GLU A 54 6.001 1.515 -0.209 1.00 0.00 C ATOM 788 O GLU A 54 5.845 2.263 0.735 1.00 0.00 O ATOM 789 CB GLU A 54 8.475 1.692 -0.533 1.00 0.00 C ATOM 790 CG GLU A 54 8.681 2.948 0.324 1.00 0.00 C ATOM 791 CD GLU A 54 8.818 2.553 1.798 1.00 0.00 C ATOM 792 OE1 GLU A 54 9.814 1.935 2.135 1.00 0.00 O ATOM 793 OE2 GLU A 54 7.926 2.876 2.563 1.00 0.00 O ATOM 0 H GLU A 54 7.640 3.786 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 54 7.065 0.983 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.531 0.801 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.271 1.612 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.574 3.481 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.839 3.628 0.197 1.00 0.00 H new ATOM 800 N GLY A 55 5.224 0.479 -0.393 1.00 0.00 N ATOM 801 CA GLY A 55 4.119 0.191 0.568 1.00 0.00 C ATOM 802 C GLY A 55 3.037 1.268 0.447 1.00 0.00 C ATOM 803 O GLY A 55 2.002 1.194 1.080 1.00 0.00 O ATOM 0 H GLY A 55 5.307 -0.180 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.693 -0.791 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.507 0.164 1.586 1.00 0.00 H new ATOM 807 N ARG A 56 3.273 2.266 -0.365 1.00 0.00 N ATOM 808 CA ARG A 56 2.270 3.356 -0.541 1.00 0.00 C ATOM 809 C ARG A 56 2.100 3.636 -2.034 1.00 0.00 C ATOM 810 O ARG A 56 2.636 2.935 -2.869 1.00 0.00 O ATOM 811 CB ARG A 56 2.760 4.628 0.162 1.00 0.00 C ATOM 812 CG ARG A 56 2.989 4.347 1.653 1.00 0.00 C ATOM 813 CD ARG A 56 4.273 5.044 2.121 1.00 0.00 C ATOM 814 NE ARG A 56 5.217 4.038 2.709 1.00 0.00 N ATOM 815 CZ ARG A 56 4.809 3.140 3.572 1.00 0.00 C ATOM 816 NH1 ARG A 56 3.585 3.161 4.025 1.00 0.00 N ATOM 817 NH2 ARG A 56 5.643 2.236 4.003 1.00 0.00 N ATOM 0 H ARG A 56 4.124 2.372 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 56 1.317 3.051 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.686 4.974 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.027 5.425 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.138 4.703 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.065 3.273 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.747 5.553 1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.033 5.807 2.862 1.00 0.00 H new ATOM 0 HE ARG A 56 6.198 4.053 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.936 3.881 3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.278 2.457 4.696 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.607 2.230 3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.332 1.534 4.675 1.00 0.00 H new ATOM 831 N LYS A 57 1.360 4.655 -2.379 1.00 0.00 N ATOM 832 CA LYS A 57 1.159 4.973 -3.822 1.00 0.00 C ATOM 833 C LYS A 57 0.334 6.252 -3.956 1.00 0.00 C ATOM 834 O LYS A 57 -0.659 6.430 -3.280 1.00 0.00 O ATOM 835 CB LYS A 57 0.408 3.824 -4.497 1.00 0.00 C ATOM 836 CG LYS A 57 -0.906 3.571 -3.751 1.00 0.00 C ATOM 837 CD LYS A 57 -1.384 2.148 -4.024 1.00 0.00 C ATOM 838 CE LYS A 57 -1.801 2.029 -5.487 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.287 0.644 -5.744 1.00 0.00 N ATOM 0 H LYS A 57 0.887 5.280 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 57 2.130 5.111 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.206 4.069 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.021 2.922 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.762 3.718 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.662 4.287 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.589 1.436 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.223 1.903 -3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.585 2.751 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.958 2.259 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.380 0.493 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.608 -0.040 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.213 0.511 -5.289 1.00 0.00 H new ATOM 853 N TYR A 58 0.732 7.139 -4.825 1.00 0.00 N ATOM 854 CA TYR A 58 -0.037 8.404 -5.006 1.00 0.00 C ATOM 855 C TYR A 58 0.064 8.859 -6.450 1.00 0.00 C ATOM 856 O TYR A 58 1.068 8.664 -7.106 1.00 0.00 O ATOM 857 CB TYR A 58 0.543 9.507 -4.119 1.00 0.00 C ATOM 858 CG TYR A 58 0.780 8.976 -2.729 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.299 8.780 -1.860 1.00 0.00 C ATOM 860 CD2 TYR A 58 2.083 8.691 -2.308 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.071 8.294 -0.565 1.00 0.00 C ATOM 862 CE2 TYR A 58 2.314 8.211 -1.019 1.00 0.00 C ATOM 863 CZ TYR A 58 1.237 8.011 -0.145 1.00 0.00 C ATOM 864 OH TYR A 58 1.463 7.537 1.131 1.00 0.00 O ATOM 0 H TYR A 58 1.556 7.044 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.076 8.217 -4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.479 9.872 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.142 10.354 -4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.304 9.002 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.912 8.843 -2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.901 8.138 0.108 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.321 7.994 -0.695 1.00 0.00 H new ATOM 0 HH TYR A 58 2.423 7.391 1.260 1.00 0.00 H new ATOM 874 N CYS A 59 -0.958 9.495 -6.941 1.00 0.00 N ATOM 875 CA CYS A 59 -0.907 10.001 -8.330 1.00 0.00 C ATOM 876 C CYS A 59 -0.494 11.464 -8.280 1.00 0.00 C ATOM 877 O CYS A 59 -0.336 12.033 -7.215 1.00 0.00 O ATOM 878 CB CYS A 59 -2.277 9.853 -8.996 1.00 0.00 C ATOM 879 SG CYS A 59 -3.550 10.570 -7.930 1.00 0.00 S ATOM 0 H CYS A 59 -1.825 9.685 -6.438 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.188 9.429 -8.917 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.277 10.351 -9.965 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.492 8.800 -9.179 1.00 0.00 H new ATOM 884 N GLU A 60 -0.308 12.082 -9.409 1.00 0.00 N ATOM 885 CA GLU A 60 0.103 13.511 -9.406 1.00 0.00 C ATOM 886 C GLU A 60 -1.008 14.363 -8.782 1.00 0.00 C ATOM 887 O GLU A 60 -0.928 15.567 -8.760 1.00 0.00 O ATOM 888 CB GLU A 60 0.364 13.964 -10.848 1.00 0.00 C ATOM 889 CG GLU A 60 1.118 15.301 -10.855 1.00 0.00 C ATOM 890 CD GLU A 60 2.330 15.227 -9.918 1.00 0.00 C ATOM 891 OE1 GLU A 60 3.336 14.670 -10.325 1.00 0.00 O ATOM 892 OE2 GLU A 60 2.229 15.725 -8.809 1.00 0.00 O ATOM 0 H GLU A 60 -0.422 11.662 -10.331 1.00 0.00 H new ATOM 0 HA GLU A 60 1.014 13.631 -8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.945 13.207 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.581 14.068 -11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.445 15.538 -11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.453 16.104 -10.539 1.00 0.00 H new ATOM 899 N HIS A 61 -2.047 13.747 -8.275 1.00 0.00 N ATOM 900 CA HIS A 61 -3.154 14.537 -7.658 1.00 0.00 C ATOM 901 C HIS A 61 -2.796 14.910 -6.210 1.00 0.00 C ATOM 902 O HIS A 61 -2.504 16.053 -5.911 1.00 0.00 O ATOM 903 CB HIS A 61 -4.457 13.710 -7.704 1.00 0.00 C ATOM 904 CG HIS A 61 -5.169 13.759 -6.373 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.322 12.639 -5.559 1.00 0.00 N ATOM 906 CD2 HIS A 61 -5.764 14.796 -5.696 1.00 0.00 C ATOM 907 CE1 HIS A 61 -5.980 13.033 -4.455 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.273 14.335 -4.487 1.00 0.00 N ATOM 0 H HIS A 61 -2.175 12.735 -8.262 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.300 15.460 -8.218 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.111 14.096 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.228 12.676 -7.962 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.827 15.815 -6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.241 12.375 -3.639 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.765 14.876 -3.776 1.00 0.00 H new ATOM 916 N ASP A 62 -2.831 13.967 -5.308 1.00 0.00 N ATOM 917 CA ASP A 62 -2.512 14.283 -3.888 1.00 0.00 C ATOM 918 C ASP A 62 -1.092 14.826 -3.791 1.00 0.00 C ATOM 919 O ASP A 62 -0.774 15.603 -2.914 1.00 0.00 O ATOM 920 CB ASP A 62 -2.613 13.012 -3.042 1.00 0.00 C ATOM 921 CG ASP A 62 -3.615 13.231 -1.905 1.00 0.00 C ATOM 922 OD1 ASP A 62 -3.326 14.037 -1.036 1.00 0.00 O ATOM 923 OD2 ASP A 62 -4.651 12.590 -1.920 1.00 0.00 O ATOM 0 H ASP A 62 -3.067 12.992 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.219 15.028 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.929 12.174 -3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.635 12.756 -2.634 1.00 0.00 H new ATOM 928 N PHE A 63 -0.237 14.404 -4.676 1.00 0.00 N ATOM 929 CA PHE A 63 1.172 14.859 -4.633 1.00 0.00 C ATOM 930 C PHE A 63 1.325 16.256 -5.239 1.00 0.00 C ATOM 931 O PHE A 63 2.094 17.057 -4.738 1.00 0.00 O ATOM 932 CB PHE A 63 2.030 13.826 -5.346 1.00 0.00 C ATOM 933 CG PHE A 63 2.668 12.968 -4.286 1.00 0.00 C ATOM 934 CD1 PHE A 63 1.863 12.319 -3.341 1.00 0.00 C ATOM 935 CD2 PHE A 63 4.049 12.839 -4.228 1.00 0.00 C ATOM 936 CE1 PHE A 63 2.448 11.537 -2.344 1.00 0.00 C ATOM 937 CE2 PHE A 63 4.637 12.052 -3.232 1.00 0.00 C ATOM 938 CZ PHE A 63 3.837 11.400 -2.291 1.00 0.00 C ATOM 0 H PHE A 63 -0.459 13.757 -5.433 1.00 0.00 H new ATOM 0 HA PHE A 63 1.504 14.944 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.423 13.219 -6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.791 14.313 -5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.789 12.424 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.670 13.346 -4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.827 11.038 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.711 11.948 -3.191 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.292 10.791 -1.524 1.00 0.00 H new ATOM 948 N GLN A 64 0.591 16.594 -6.274 1.00 0.00 N ATOM 949 CA GLN A 64 0.729 17.979 -6.818 1.00 0.00 C ATOM 950 C GLN A 64 0.033 18.929 -5.850 1.00 0.00 C ATOM 951 O GLN A 64 0.199 20.133 -5.902 1.00 0.00 O ATOM 952 CB GLN A 64 0.097 18.099 -8.208 1.00 0.00 C ATOM 953 CG GLN A 64 -1.433 18.131 -8.095 1.00 0.00 C ATOM 954 CD GLN A 64 -2.051 18.170 -9.494 1.00 0.00 C ATOM 955 OE1 GLN A 64 -2.989 17.453 -9.777 1.00 0.00 O ATOM 956 NE2 GLN A 64 -1.561 18.985 -10.389 1.00 0.00 N ATOM 0 H GLN A 64 -0.078 15.990 -6.752 1.00 0.00 H new ATOM 0 HA GLN A 64 1.786 18.227 -6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.451 19.005 -8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.405 17.258 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.786 17.253 -7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.747 19.004 -7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.773 19.588 -10.153 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.966 19.019 -11.324 1.00 0.00 H new ATOM 965 N MET A 65 -0.725 18.376 -4.944 1.00 0.00 N ATOM 966 CA MET A 65 -1.426 19.201 -3.929 1.00 0.00 C ATOM 967 C MET A 65 -0.395 19.580 -2.875 1.00 0.00 C ATOM 968 O MET A 65 -0.371 20.689 -2.380 1.00 0.00 O ATOM 969 CB MET A 65 -2.555 18.385 -3.291 1.00 0.00 C ATOM 970 CG MET A 65 -3.385 19.282 -2.366 1.00 0.00 C ATOM 971 SD MET A 65 -2.816 19.083 -0.659 1.00 0.00 S ATOM 972 CE MET A 65 -3.510 17.435 -0.373 1.00 0.00 C ATOM 0 H MET A 65 -0.889 17.372 -4.866 1.00 0.00 H new ATOM 0 HA MET A 65 -1.864 20.092 -4.380 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.191 17.959 -4.067 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.139 17.551 -2.726 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.291 20.324 -2.672 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.441 19.022 -2.441 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.921 17.383 0.635 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.301 17.243 -1.098 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.726 16.686 -0.484 1.00 0.00 H new ATOM 982 N LEU A 66 0.485 18.661 -2.558 1.00 0.00 N ATOM 983 CA LEU A 66 1.548 18.971 -1.565 1.00 0.00 C ATOM 984 C LEU A 66 2.517 19.932 -2.243 1.00 0.00 C ATOM 985 O LEU A 66 2.466 21.127 -2.029 1.00 0.00 O ATOM 986 CB LEU A 66 2.299 17.692 -1.153 1.00 0.00 C ATOM 987 CG LEU A 66 1.336 16.506 -1.100 1.00 0.00 C ATOM 988 CD1 LEU A 66 2.070 15.273 -0.566 1.00 0.00 C ATOM 989 CD2 LEU A 66 0.152 16.832 -0.181 1.00 0.00 C ATOM 0 H LEU A 66 0.509 17.717 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 66 1.113 19.406 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.100 17.487 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.766 17.834 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 66 0.965 16.305 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.382 14.428 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.905 15.033 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.446 15.479 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.529 15.981 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.518 17.041 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.376 17.705 -0.564 1.00 0.00 H new ATOM 1001 N PHE A 67 3.376 19.418 -3.093 1.00 0.00 N ATOM 1002 CA PHE A 67 4.335 20.297 -3.821 1.00 0.00 C ATOM 1003 C PHE A 67 4.862 19.559 -5.058 1.00 0.00 C ATOM 1004 O PHE A 67 5.963 19.041 -5.058 1.00 0.00 O ATOM 1005 CB PHE A 67 5.529 20.674 -2.920 1.00 0.00 C ATOM 1006 CG PHE A 67 5.067 21.014 -1.521 1.00 0.00 C ATOM 1007 CD1 PHE A 67 4.936 20.003 -0.561 1.00 0.00 C ATOM 1008 CD2 PHE A 67 4.774 22.342 -1.183 1.00 0.00 C ATOM 1009 CE1 PHE A 67 4.511 20.318 0.735 1.00 0.00 C ATOM 1010 CE2 PHE A 67 4.349 22.656 0.113 1.00 0.00 C ATOM 1011 CZ PHE A 67 4.217 21.645 1.073 1.00 0.00 C ATOM 0 H PHE A 67 3.451 18.424 -3.311 1.00 0.00 H new ATOM 0 HA PHE A 67 3.812 21.208 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.236 19.845 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.058 21.525 -3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.163 18.980 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.876 23.123 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.410 19.537 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.123 23.679 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.889 21.888 2.073 1.00 0.00 H new ATOM 1021 N ALA A 68 4.094 19.512 -6.114 1.00 0.00 N ATOM 1022 CA ALA A 68 4.564 18.814 -7.349 1.00 0.00 C ATOM 1023 C ALA A 68 3.706 19.244 -8.548 1.00 0.00 C ATOM 1024 O ALA A 68 3.019 18.435 -9.139 1.00 0.00 O ATOM 1025 CB ALA A 68 4.455 17.297 -7.152 1.00 0.00 C ATOM 0 H ALA A 68 3.164 19.925 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 68 5.603 19.081 -7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.798 16.788 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.073 16.995 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.417 17.029 -6.957 1.00 0.00 H new ATOM 1031 N PRO A 69 3.778 20.515 -8.876 1.00 0.00 N ATOM 1032 CA PRO A 69 3.017 21.079 -10.008 1.00 0.00 C ATOM 1033 C PRO A 69 3.501 20.462 -11.327 1.00 0.00 C ATOM 1034 O PRO A 69 4.501 20.872 -11.885 1.00 0.00 O ATOM 1035 CB PRO A 69 3.319 22.585 -9.972 1.00 0.00 C ATOM 1036 CG PRO A 69 4.349 22.832 -8.840 1.00 0.00 C ATOM 1037 CD PRO A 69 4.615 21.486 -8.147 1.00 0.00 C ATOM 0 HA PRO A 69 1.949 20.875 -9.936 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.717 22.918 -10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.407 23.154 -9.790 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.273 23.242 -9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.965 23.560 -8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.670 21.216 -8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.347 21.525 -7.091 1.00 0.00 H new ATOM 1045 N CYS A 70 2.799 19.479 -11.825 1.00 0.00 N ATOM 1046 CA CYS A 70 3.215 18.832 -13.106 1.00 0.00 C ATOM 1047 C CYS A 70 2.553 19.557 -14.282 1.00 0.00 C ATOM 1048 O CYS A 70 3.238 19.800 -15.263 1.00 0.00 O ATOM 1049 CB CYS A 70 2.781 17.365 -13.099 1.00 0.00 C ATOM 1050 SG CYS A 70 3.428 16.537 -14.573 1.00 0.00 S ATOM 0 H CYS A 70 1.955 19.095 -11.401 1.00 0.00 H new ATOM 0 HA CYS A 70 4.299 18.889 -13.209 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.149 16.870 -12.200 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.693 17.297 -13.078 1.00 0.00 H new ATOM 0 HG CYS A 70 3.061 15.290 -14.566 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.654 -4.942 -11.114 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.723 10.768 -5.961 1.00 0.00 ZN