USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 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 -93:sc= 0.272 USER MOD Set 1.2: A 27 ASN :FLIP amide:sc= -1.1 F(o=-3.1,f=-1.9) USER MOD Set 1.3: A 31 TYR OH : rot 10:sc= -1.1 USER MOD Set 2.1: A 9 THR OG1 : rot -40:sc= 0.985 USER MOD Set 2.2: A 14 LYS NZ :NH3+ 150:sc= 1.02 (180deg=-0.214) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.033 (180deg=-0.514) USER MOD Single : A 3 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 7 SER OG : rot 44:sc= 0.599 USER MOD Single : A 22 LYS NZ :NH3+ -132:sc= -2.25 (180deg=-6.06!) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.323 F(o=-0.85,f=-0.32) USER MOD Single : A 34 GLN : amide:sc=-0.00144 K(o=-0.0014,f=-2!) USER MOD Single : A 40 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.6!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 44 GLN : amide:sc= -2.52! C(o=-2.5!,f=-2.6!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= -4.27! (180deg=-9.12!) USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.946 K(o=0.95,f=-0.0093) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.857 -17.777 5.383 1.00 0.00 N ATOM 2 CA MET A 1 3.140 -18.247 4.163 1.00 0.00 C ATOM 3 C MET A 1 4.159 -18.729 3.125 1.00 0.00 C ATOM 4 O MET A 1 5.353 -18.706 3.358 1.00 0.00 O ATOM 5 CB MET A 1 2.317 -17.094 3.576 1.00 0.00 C ATOM 6 CG MET A 1 1.347 -16.561 4.634 1.00 0.00 C ATOM 7 SD MET A 1 0.306 -17.915 5.238 1.00 0.00 S ATOM 8 CE MET A 1 -0.279 -17.098 6.744 1.00 0.00 C ATOM 0 H1 MET A 1 3.356 -18.111 6.231 1.00 0.00 H new ATOM 0 H2 MET A 1 4.826 -18.154 5.383 1.00 0.00 H new ATOM 0 H3 MET A 1 3.890 -16.738 5.387 1.00 0.00 H new ATOM 0 HA MET A 1 2.475 -19.069 4.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.979 -16.296 3.241 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.764 -17.437 2.702 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.902 -16.118 5.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.726 -15.773 4.209 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.950 -17.767 7.284 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.573 -16.849 7.377 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.813 -16.185 6.479 1.00 0.00 H new ATOM 18 N ALA A 2 3.696 -19.165 1.982 1.00 0.00 N ATOM 19 CA ALA A 2 4.633 -19.649 0.926 1.00 0.00 C ATOM 20 C ALA A 2 5.387 -18.457 0.326 1.00 0.00 C ATOM 21 O ALA A 2 4.907 -17.796 -0.574 1.00 0.00 O ATOM 22 CB ALA A 2 3.838 -20.360 -0.173 1.00 0.00 C ATOM 0 H ALA A 2 2.707 -19.207 1.735 1.00 0.00 H new ATOM 0 HA ALA A 2 5.348 -20.345 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.521 -20.714 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.303 -21.208 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.123 -19.665 -0.612 1.00 0.00 H new ATOM 28 N ASN A 3 6.565 -18.182 0.822 1.00 0.00 N ATOM 29 CA ASN A 3 7.356 -17.036 0.287 1.00 0.00 C ATOM 30 C ASN A 3 8.023 -17.445 -1.029 1.00 0.00 C ATOM 31 O ASN A 3 8.652 -18.481 -1.118 1.00 0.00 O ATOM 32 CB ASN A 3 8.430 -16.641 1.306 1.00 0.00 C ATOM 33 CG ASN A 3 9.135 -15.365 0.840 1.00 0.00 C ATOM 34 OD1 ASN A 3 8.765 -14.276 1.229 1.00 0.00 O ATOM 35 ND2 ASN A 3 10.142 -15.456 0.015 1.00 0.00 N ATOM 0 H ASN A 3 7.014 -18.703 1.576 1.00 0.00 H new ATOM 0 HA ASN A 3 6.695 -16.188 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.976 -16.481 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.154 -17.448 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.618 -14.612 -0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.453 -16.371 -0.312 1.00 0.00 H new ATOM 42 N ALA A 4 7.886 -16.634 -2.049 1.00 0.00 N ATOM 43 CA ALA A 4 8.507 -16.962 -3.370 1.00 0.00 C ATOM 44 C ALA A 4 7.935 -18.283 -3.899 1.00 0.00 C ATOM 45 O ALA A 4 6.978 -18.812 -3.368 1.00 0.00 O ATOM 46 CB ALA A 4 10.027 -17.085 -3.209 1.00 0.00 C ATOM 0 H ALA A 4 7.369 -15.755 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 4 8.283 -16.165 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.477 -17.324 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.432 -16.141 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.254 -17.877 -2.496 1.00 0.00 H new ATOM 52 N LEU A 5 8.516 -18.814 -4.946 1.00 0.00 N ATOM 53 CA LEU A 5 8.018 -20.100 -5.522 1.00 0.00 C ATOM 54 C LEU A 5 6.535 -19.960 -5.893 1.00 0.00 C ATOM 55 O LEU A 5 5.804 -20.931 -5.943 1.00 0.00 O ATOM 56 CB LEU A 5 8.191 -21.224 -4.491 1.00 0.00 C ATOM 57 CG LEU A 5 8.409 -22.559 -5.212 1.00 0.00 C ATOM 58 CD1 LEU A 5 9.890 -22.715 -5.570 1.00 0.00 C ATOM 59 CD2 LEU A 5 7.982 -23.710 -4.296 1.00 0.00 C ATOM 0 H LEU A 5 9.318 -18.409 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 5 8.590 -20.341 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.040 -21.008 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.309 -21.284 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 5 7.812 -22.578 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.042 -23.665 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.194 -21.897 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.489 -22.694 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.137 -24.659 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.578 -23.689 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.927 -23.602 -4.043 1.00 0.00 H new ATOM 71 N ALA A 6 6.090 -18.759 -6.152 1.00 0.00 N ATOM 72 CA ALA A 6 4.660 -18.547 -6.519 1.00 0.00 C ATOM 73 C ALA A 6 4.532 -17.270 -7.355 1.00 0.00 C ATOM 74 O ALA A 6 5.289 -16.333 -7.193 1.00 0.00 O ATOM 75 CB ALA A 6 3.821 -18.410 -5.245 1.00 0.00 C ATOM 0 H ALA A 6 6.658 -17.912 -6.125 1.00 0.00 H new ATOM 0 HA ALA A 6 4.303 -19.398 -7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.776 -18.255 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.912 -19.319 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.177 -17.559 -4.665 1.00 0.00 H new ATOM 81 N SER A 7 3.577 -17.228 -8.248 1.00 0.00 N ATOM 82 CA SER A 7 3.395 -16.016 -9.097 1.00 0.00 C ATOM 83 C SER A 7 2.833 -14.874 -8.245 1.00 0.00 C ATOM 84 O SER A 7 1.728 -14.948 -7.743 1.00 0.00 O ATOM 85 CB SER A 7 2.422 -16.331 -10.236 1.00 0.00 C ATOM 86 OG SER A 7 1.215 -16.853 -9.694 1.00 0.00 O ATOM 0 H SER A 7 2.915 -17.983 -8.425 1.00 0.00 H new ATOM 0 HA SER A 7 4.357 -15.718 -9.514 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.215 -15.429 -10.812 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.868 -17.052 -10.921 1.00 0.00 H new ATOM 0 HG SER A 7 0.948 -16.320 -8.916 1.00 0.00 H new ATOM 92 N ALA A 8 3.587 -13.818 -8.083 1.00 0.00 N ATOM 93 CA ALA A 8 3.102 -12.667 -7.265 1.00 0.00 C ATOM 94 C ALA A 8 1.937 -11.984 -7.988 1.00 0.00 C ATOM 95 O ALA A 8 1.752 -12.149 -9.179 1.00 0.00 O ATOM 96 CB ALA A 8 4.243 -11.666 -7.070 1.00 0.00 C ATOM 0 H ALA A 8 4.519 -13.703 -8.482 1.00 0.00 H new ATOM 0 HA ALA A 8 2.764 -13.026 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.891 -10.825 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.071 -12.154 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.581 -11.305 -8.042 1.00 0.00 H new ATOM 102 N THR A 9 1.150 -11.220 -7.275 1.00 0.00 N ATOM 103 CA THR A 9 -0.007 -10.527 -7.917 1.00 0.00 C ATOM 104 C THR A 9 0.128 -9.015 -7.727 1.00 0.00 C ATOM 105 O THR A 9 0.925 -8.546 -6.937 1.00 0.00 O ATOM 106 CB THR A 9 -1.313 -11.007 -7.275 1.00 0.00 C ATOM 107 OG1 THR A 9 -1.409 -10.490 -5.955 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.337 -12.537 -7.227 1.00 0.00 C ATOM 0 H THR A 9 1.259 -11.046 -6.276 1.00 0.00 H new ATOM 0 HA THR A 9 -0.019 -10.758 -8.982 1.00 0.00 H new ATOM 0 HB THR A 9 -2.156 -10.654 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.530 -10.527 -5.524 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.268 -12.872 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.267 -12.934 -8.240 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.493 -12.896 -6.637 1.00 0.00 H new ATOM 116 N CYS A 10 -0.647 -8.251 -8.454 1.00 0.00 N ATOM 117 CA CYS A 10 -0.570 -6.763 -8.337 1.00 0.00 C ATOM 118 C CYS A 10 -0.963 -6.320 -6.929 1.00 0.00 C ATOM 119 O CYS A 10 -1.763 -6.942 -6.262 1.00 0.00 O ATOM 120 CB CYS A 10 -1.499 -6.130 -9.370 1.00 0.00 C ATOM 121 SG CYS A 10 -1.300 -4.333 -9.362 1.00 0.00 S ATOM 0 H CYS A 10 -1.333 -8.595 -9.126 1.00 0.00 H new ATOM 0 HA CYS A 10 0.454 -6.438 -8.523 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.276 -6.524 -10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.534 -6.390 -9.148 1.00 0.00 H new ATOM 126 N GLU A 11 -0.375 -5.251 -6.474 1.00 0.00 N ATOM 127 CA GLU A 11 -0.660 -4.745 -5.107 1.00 0.00 C ATOM 128 C GLU A 11 -2.000 -4.001 -5.066 1.00 0.00 C ATOM 129 O GLU A 11 -2.566 -3.793 -4.010 1.00 0.00 O ATOM 130 CB GLU A 11 0.463 -3.790 -4.715 1.00 0.00 C ATOM 131 CG GLU A 11 0.316 -3.390 -3.246 1.00 0.00 C ATOM 132 CD GLU A 11 0.576 -4.607 -2.355 1.00 0.00 C ATOM 133 OE1 GLU A 11 1.701 -5.078 -2.341 1.00 0.00 O ATOM 134 OE2 GLU A 11 -0.357 -5.050 -1.705 1.00 0.00 O ATOM 0 H GLU A 11 0.302 -4.699 -7.001 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.719 -5.584 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.430 -4.266 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.435 -2.903 -5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.018 -2.592 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.685 -3.000 -3.063 1.00 0.00 H new ATOM 141 N ARG A 12 -2.512 -3.594 -6.196 1.00 0.00 N ATOM 142 CA ARG A 12 -3.813 -2.854 -6.202 1.00 0.00 C ATOM 143 C ARG A 12 -4.886 -3.685 -6.905 1.00 0.00 C ATOM 144 O ARG A 12 -6.027 -3.718 -6.487 1.00 0.00 O ATOM 145 CB ARG A 12 -3.672 -1.500 -6.926 1.00 0.00 C ATOM 146 CG ARG A 12 -2.327 -1.389 -7.660 1.00 0.00 C ATOM 147 CD ARG A 12 -1.295 -0.667 -6.785 1.00 0.00 C ATOM 148 NE ARG A 12 -1.594 -0.896 -5.336 1.00 0.00 N ATOM 149 CZ ARG A 12 -0.704 -0.602 -4.423 1.00 0.00 C ATOM 150 NH1 ARG A 12 0.459 -0.126 -4.765 1.00 0.00 N ATOM 151 NH2 ARG A 12 -0.982 -0.788 -3.162 1.00 0.00 N ATOM 0 H ARG A 12 -2.090 -3.740 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.102 -2.675 -5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.487 -1.382 -7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.761 -0.689 -6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.963 -2.384 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.461 -0.848 -8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.293 -1.028 -7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.307 0.401 -7.002 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.496 -1.283 -5.059 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.681 0.020 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.148 0.101 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.891 -1.162 -2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.290 -0.560 -2.448 1.00 0.00 H new ATOM 165 N CYS A 13 -4.536 -4.346 -7.975 1.00 0.00 N ATOM 166 CA CYS A 13 -5.544 -5.162 -8.713 1.00 0.00 C ATOM 167 C CYS A 13 -5.382 -6.643 -8.359 1.00 0.00 C ATOM 168 O CYS A 13 -6.258 -7.446 -8.613 1.00 0.00 O ATOM 169 CB CYS A 13 -5.342 -4.963 -10.216 1.00 0.00 C ATOM 170 SG CYS A 13 -4.293 -6.282 -10.868 1.00 0.00 S ATOM 0 H CYS A 13 -3.596 -4.357 -8.370 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.547 -4.843 -8.431 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.305 -4.965 -10.726 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.883 -3.993 -10.406 1.00 0.00 H new ATOM 175 N LYS A 14 -4.268 -7.011 -7.775 1.00 0.00 N ATOM 176 CA LYS A 14 -4.048 -8.442 -7.405 1.00 0.00 C ATOM 177 C LYS A 14 -4.079 -9.312 -8.664 1.00 0.00 C ATOM 178 O LYS A 14 -4.648 -10.387 -8.676 1.00 0.00 O ATOM 179 CB LYS A 14 -5.139 -8.893 -6.428 1.00 0.00 C ATOM 180 CG LYS A 14 -4.545 -9.850 -5.390 1.00 0.00 C ATOM 181 CD LYS A 14 -3.796 -9.050 -4.318 1.00 0.00 C ATOM 182 CE LYS A 14 -3.425 -9.973 -3.153 1.00 0.00 C ATOM 183 NZ LYS A 14 -2.501 -11.039 -3.637 1.00 0.00 N ATOM 0 H LYS A 14 -3.501 -6.381 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.074 -8.547 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.574 -8.027 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.945 -9.386 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.338 -10.440 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.866 -10.552 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.896 -8.606 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.418 -8.229 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.950 -9.399 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.324 -10.421 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.870 -11.329 -2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.055 -11.859 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.933 -10.674 -4.428 1.00 0.00 H new ATOM 197 N GLY A 15 -3.459 -8.860 -9.723 1.00 0.00 N ATOM 198 CA GLY A 15 -3.439 -9.661 -10.978 1.00 0.00 C ATOM 199 C GLY A 15 -2.137 -10.455 -11.037 1.00 0.00 C ATOM 200 O GLY A 15 -1.059 -9.893 -11.027 1.00 0.00 O ATOM 0 H GLY A 15 -2.965 -7.969 -9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.294 -10.336 -11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.520 -9.005 -11.845 1.00 0.00 H new ATOM 204 N GLY A 16 -2.227 -11.759 -11.091 1.00 0.00 N ATOM 205 CA GLY A 16 -0.995 -12.597 -11.144 1.00 0.00 C ATOM 206 C GLY A 16 -0.146 -12.185 -12.346 1.00 0.00 C ATOM 207 O GLY A 16 -0.419 -12.565 -13.468 1.00 0.00 O ATOM 0 H GLY A 16 -3.104 -12.280 -11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.423 -12.479 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.263 -13.651 -11.219 1.00 0.00 H new ATOM 211 N PHE A 17 0.882 -11.410 -12.118 1.00 0.00 N ATOM 212 CA PHE A 17 1.756 -10.967 -13.244 1.00 0.00 C ATOM 213 C PHE A 17 3.120 -11.657 -13.140 1.00 0.00 C ATOM 214 O PHE A 17 3.319 -12.540 -12.327 1.00 0.00 O ATOM 215 CB PHE A 17 1.932 -9.437 -13.217 1.00 0.00 C ATOM 216 CG PHE A 17 2.096 -8.908 -11.799 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.599 -9.725 -10.774 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.761 -7.574 -11.519 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.759 -9.211 -9.485 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.928 -7.064 -10.230 1.00 0.00 C ATOM 221 CZ PHE A 17 2.426 -7.882 -9.215 1.00 0.00 C ATOM 0 H PHE A 17 1.154 -11.064 -11.198 1.00 0.00 H new ATOM 0 HA PHE A 17 1.285 -11.244 -14.187 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.804 -9.162 -13.810 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.067 -8.964 -13.683 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.862 -10.751 -10.982 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.373 -6.940 -12.303 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.141 -9.842 -8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.672 -6.036 -10.018 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.554 -7.486 -8.218 1.00 0.00 H new ATOM 231 N ALA A 18 4.061 -11.264 -13.960 1.00 0.00 N ATOM 232 CA ALA A 18 5.411 -11.900 -13.913 1.00 0.00 C ATOM 233 C ALA A 18 6.361 -11.202 -14.903 1.00 0.00 C ATOM 234 O ALA A 18 7.419 -10.749 -14.509 1.00 0.00 O ATOM 235 CB ALA A 18 5.299 -13.389 -14.263 1.00 0.00 C ATOM 0 H ALA A 18 3.952 -10.530 -14.660 1.00 0.00 H new ATOM 0 HA ALA A 18 5.813 -11.798 -12.905 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.288 -13.847 -14.227 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.644 -13.883 -13.546 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.886 -13.497 -15.266 1.00 0.00 H new ATOM 241 N PRO A 19 5.969 -11.137 -16.162 1.00 0.00 N ATOM 242 CA PRO A 19 6.798 -10.496 -17.203 1.00 0.00 C ATOM 243 C PRO A 19 7.084 -9.036 -16.835 1.00 0.00 C ATOM 244 O PRO A 19 6.271 -8.373 -16.222 1.00 0.00 O ATOM 245 CB PRO A 19 5.959 -10.580 -18.487 1.00 0.00 C ATOM 246 CG PRO A 19 4.657 -11.350 -18.148 1.00 0.00 C ATOM 247 CD PRO A 19 4.687 -11.687 -16.649 1.00 0.00 C ATOM 0 HA PRO A 19 7.766 -10.984 -17.318 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.728 -9.582 -18.859 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.513 -11.093 -19.273 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.782 -10.745 -18.386 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.586 -12.261 -18.743 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.841 -11.240 -16.126 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.631 -12.763 -16.485 1.00 0.00 H new ATOM 255 N ALA A 20 8.234 -8.535 -17.206 1.00 0.00 N ATOM 256 CA ALA A 20 8.586 -7.120 -16.880 1.00 0.00 C ATOM 257 C ALA A 20 7.535 -6.169 -17.463 1.00 0.00 C ATOM 258 O ALA A 20 7.453 -5.017 -17.085 1.00 0.00 O ATOM 259 CB ALA A 20 9.957 -6.790 -17.476 1.00 0.00 C ATOM 0 H ALA A 20 8.948 -9.048 -17.723 1.00 0.00 H new ATOM 0 HA ALA A 20 8.614 -6.998 -15.797 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.217 -5.758 -17.240 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.707 -7.459 -17.055 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.924 -6.918 -18.558 1.00 0.00 H new ATOM 265 N GLU A 21 6.730 -6.644 -18.376 1.00 0.00 N ATOM 266 CA GLU A 21 5.682 -5.775 -18.980 1.00 0.00 C ATOM 267 C GLU A 21 4.487 -5.705 -18.033 1.00 0.00 C ATOM 268 O GLU A 21 3.879 -4.669 -17.860 1.00 0.00 O ATOM 269 CB GLU A 21 5.235 -6.363 -20.322 1.00 0.00 C ATOM 270 CG GLU A 21 6.463 -6.716 -21.169 1.00 0.00 C ATOM 271 CD GLU A 21 6.844 -8.182 -20.936 1.00 0.00 C ATOM 272 OE1 GLU A 21 6.187 -9.041 -21.501 1.00 0.00 O ATOM 273 OE2 GLU A 21 7.785 -8.420 -20.197 1.00 0.00 O ATOM 0 H GLU A 21 6.755 -7.600 -18.730 1.00 0.00 H new ATOM 0 HA GLU A 21 6.085 -4.775 -19.143 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.629 -7.253 -20.155 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.609 -5.646 -20.853 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.249 -6.549 -22.225 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.298 -6.067 -20.906 1.00 0.00 H new ATOM 280 N LYS A 22 4.149 -6.806 -17.417 1.00 0.00 N ATOM 281 CA LYS A 22 2.994 -6.816 -16.475 1.00 0.00 C ATOM 282 C LYS A 22 3.499 -6.578 -15.051 1.00 0.00 C ATOM 283 O LYS A 22 2.829 -5.970 -14.239 1.00 0.00 O ATOM 284 CB LYS A 22 2.284 -8.171 -16.549 1.00 0.00 C ATOM 285 CG LYS A 22 1.765 -8.409 -17.972 1.00 0.00 C ATOM 286 CD LYS A 22 0.542 -7.521 -18.233 1.00 0.00 C ATOM 287 CE LYS A 22 0.693 -6.818 -19.586 1.00 0.00 C ATOM 288 NZ LYS A 22 1.861 -5.894 -19.541 1.00 0.00 N ATOM 0 H LYS A 22 4.625 -7.701 -17.526 1.00 0.00 H new ATOM 0 HA LYS A 22 2.293 -6.027 -16.749 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.971 -8.968 -16.265 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.456 -8.197 -15.841 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.548 -8.187 -18.697 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.499 -9.458 -18.101 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.366 -8.124 -18.225 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.441 -6.782 -17.438 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.830 -7.555 -20.377 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.214 -6.262 -19.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.585 -4.966 -19.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.179 -5.784 -18.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.636 -6.286 -20.113 1.00 0.00 H new ATOM 302 N ILE A 23 4.677 -7.054 -14.746 1.00 0.00 N ATOM 303 CA ILE A 23 5.233 -6.861 -13.378 1.00 0.00 C ATOM 304 C ILE A 23 5.994 -5.531 -13.323 1.00 0.00 C ATOM 305 O ILE A 23 6.934 -5.309 -14.062 1.00 0.00 O ATOM 306 CB ILE A 23 6.168 -8.043 -13.037 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.578 -8.845 -11.870 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.570 -7.550 -12.649 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.452 -7.953 -10.628 1.00 0.00 C ATOM 0 H ILE A 23 5.279 -7.569 -15.388 1.00 0.00 H new ATOM 0 HA ILE A 23 4.427 -6.831 -12.645 1.00 0.00 H new ATOM 0 HB ILE A 23 6.254 -8.672 -13.923 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.599 -9.238 -12.146 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.214 -9.702 -11.649 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.204 -8.405 -12.415 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.003 -6.994 -13.480 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.499 -6.901 -11.776 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.032 -8.532 -9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.437 -7.582 -10.345 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.797 -7.110 -10.850 1.00 0.00 H new ATOM 321 N VAL A 24 5.590 -4.650 -12.448 1.00 0.00 N ATOM 322 CA VAL A 24 6.283 -3.336 -12.321 1.00 0.00 C ATOM 323 C VAL A 24 6.481 -3.043 -10.836 1.00 0.00 C ATOM 324 O VAL A 24 5.762 -2.266 -10.253 1.00 0.00 O ATOM 325 CB VAL A 24 5.429 -2.226 -12.951 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.315 -1.021 -13.279 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.770 -2.739 -14.236 1.00 0.00 C ATOM 0 H VAL A 24 4.804 -4.785 -11.812 1.00 0.00 H new ATOM 0 HA VAL A 24 7.243 -3.372 -12.835 1.00 0.00 H new ATOM 0 HB VAL A 24 4.654 -1.928 -12.245 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.708 -0.234 -13.726 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.776 -0.648 -12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.093 -1.322 -13.981 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.166 -1.946 -14.677 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.541 -3.044 -14.944 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.134 -3.593 -14.003 1.00 0.00 H new ATOM 337 N ASN A 25 7.446 -3.668 -10.217 1.00 0.00 N ATOM 338 CA ASN A 25 7.673 -3.432 -8.763 1.00 0.00 C ATOM 339 C ASN A 25 8.388 -2.096 -8.575 1.00 0.00 C ATOM 340 O ASN A 25 9.160 -1.670 -9.412 1.00 0.00 O ATOM 341 CB ASN A 25 8.526 -4.566 -8.189 1.00 0.00 C ATOM 342 CG ASN A 25 9.244 -4.095 -6.920 1.00 0.00 C ATOM 343 OD1 ASN A 25 8.543 -3.769 -5.869 1.00 0.00 O flip ATOM 344 ND2 ASN A 25 10.456 -4.021 -6.886 1.00 0.00 N flip ATOM 0 H ASN A 25 8.086 -4.331 -10.655 1.00 0.00 H new ATOM 0 HA ASN A 25 6.717 -3.405 -8.240 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.896 -5.426 -7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.256 -4.893 -8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.006 -4.275 -7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.924 -3.704 -6.037 1.00 0.00 H new ATOM 351 N SER A 26 8.129 -1.430 -7.484 1.00 0.00 N ATOM 352 CA SER A 26 8.782 -0.118 -7.240 1.00 0.00 C ATOM 353 C SER A 26 8.725 0.215 -5.747 1.00 0.00 C ATOM 354 O SER A 26 7.700 0.060 -5.106 1.00 0.00 O ATOM 355 CB SER A 26 8.044 0.957 -8.040 1.00 0.00 C ATOM 356 OG SER A 26 6.928 1.420 -7.290 1.00 0.00 O ATOM 0 H SER A 26 7.492 -1.740 -6.751 1.00 0.00 H new ATOM 0 HA SER A 26 9.825 -0.158 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.716 1.786 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.711 0.551 -8.995 1.00 0.00 H new ATOM 0 HG SER A 26 6.132 0.903 -7.535 1.00 0.00 H new ATOM 362 N ASN A 27 9.822 0.673 -5.195 1.00 0.00 N ATOM 363 CA ASN A 27 9.866 1.029 -3.741 1.00 0.00 C ATOM 364 C ASN A 27 9.754 -0.237 -2.886 1.00 0.00 C ATOM 365 O ASN A 27 10.510 -0.441 -1.958 1.00 0.00 O ATOM 366 CB ASN A 27 8.718 1.987 -3.398 1.00 0.00 C ATOM 367 CG ASN A 27 8.493 2.966 -4.554 1.00 0.00 C ATOM 368 OD1 ASN A 27 7.306 3.066 -5.087 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 9.406 3.649 -4.975 1.00 0.00 N flip ATOM 0 H ASN A 27 10.699 0.817 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 27 10.816 1.520 -3.530 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.806 1.422 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.951 2.536 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.334 3.572 -4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.244 4.299 -5.744 1.00 0.00 H new ATOM 376 N GLY A 28 8.813 -1.082 -3.197 1.00 0.00 N ATOM 377 CA GLY A 28 8.633 -2.341 -2.414 1.00 0.00 C ATOM 378 C GLY A 28 7.291 -2.978 -2.779 1.00 0.00 C ATOM 379 O GLY A 28 7.084 -4.161 -2.589 1.00 0.00 O ATOM 0 H GLY A 28 8.154 -0.956 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.447 -3.034 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.668 -2.126 -1.346 1.00 0.00 H new ATOM 383 N GLU A 29 6.379 -2.202 -3.307 1.00 0.00 N ATOM 384 CA GLU A 29 5.047 -2.754 -3.693 1.00 0.00 C ATOM 385 C GLU A 29 5.078 -3.156 -5.166 1.00 0.00 C ATOM 386 O GLU A 29 6.017 -2.856 -5.878 1.00 0.00 O ATOM 387 CB GLU A 29 3.971 -1.682 -3.485 1.00 0.00 C ATOM 388 CG GLU A 29 3.270 -1.902 -2.141 1.00 0.00 C ATOM 389 CD GLU A 29 2.190 -0.829 -1.929 1.00 0.00 C ATOM 390 OE1 GLU A 29 2.267 0.208 -2.571 1.00 0.00 O ATOM 391 OE2 GLU A 29 1.302 -1.065 -1.127 1.00 0.00 O ATOM 0 H GLU A 29 6.501 -1.206 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 29 4.819 -3.624 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.423 -0.690 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.243 -1.722 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.819 -2.894 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.998 -1.862 -1.331 1.00 0.00 H new ATOM 398 N LEU A 30 4.059 -3.831 -5.630 1.00 0.00 N ATOM 399 CA LEU A 30 4.025 -4.252 -7.061 1.00 0.00 C ATOM 400 C LEU A 30 2.838 -3.588 -7.749 1.00 0.00 C ATOM 401 O LEU A 30 1.776 -3.445 -7.177 1.00 0.00 O ATOM 402 CB LEU A 30 3.872 -5.772 -7.156 1.00 0.00 C ATOM 403 CG LEU A 30 4.753 -6.483 -6.117 1.00 0.00 C ATOM 404 CD1 LEU A 30 4.942 -7.939 -6.536 1.00 0.00 C ATOM 405 CD2 LEU A 30 6.132 -5.816 -6.022 1.00 0.00 C ATOM 0 H LEU A 30 3.248 -4.109 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 30 4.955 -3.953 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.828 -6.046 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.144 -6.106 -8.157 1.00 0.00 H new ATOM 0 HG LEU A 30 4.262 -6.421 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.566 -8.450 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.971 -8.431 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.424 -7.977 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.738 -6.337 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.627 -5.863 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.012 -4.774 -5.726 1.00 0.00 H new ATOM 417 N TYR A 31 3.013 -3.178 -8.972 1.00 0.00 N ATOM 418 CA TYR A 31 1.899 -2.517 -9.704 1.00 0.00 C ATOM 419 C TYR A 31 1.946 -2.930 -11.175 1.00 0.00 C ATOM 420 O TYR A 31 2.978 -3.306 -11.700 1.00 0.00 O ATOM 421 CB TYR A 31 2.035 -0.979 -9.636 1.00 0.00 C ATOM 422 CG TYR A 31 2.751 -0.516 -8.377 1.00 0.00 C ATOM 423 CD1 TYR A 31 4.060 -0.938 -8.105 1.00 0.00 C ATOM 424 CD2 TYR A 31 2.113 0.373 -7.502 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.726 -0.477 -6.968 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.779 0.829 -6.357 1.00 0.00 C ATOM 427 CZ TYR A 31 4.087 0.406 -6.091 1.00 0.00 C ATOM 428 OH TYR A 31 4.749 0.866 -4.973 1.00 0.00 O ATOM 0 H TYR A 31 3.882 -3.272 -9.498 1.00 0.00 H new ATOM 0 HA TYR A 31 0.960 -2.821 -9.242 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.580 -0.626 -10.511 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.044 -0.527 -9.674 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.555 -1.623 -8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.107 0.707 -7.710 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.736 -0.802 -6.765 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.283 1.508 -5.679 1.00 0.00 H new ATOM 0 HH TYR A 31 5.692 0.604 -5.021 1.00 0.00 H new ATOM 438 N HIS A 32 0.834 -2.826 -11.845 1.00 0.00 N ATOM 439 CA HIS A 32 0.780 -3.161 -13.299 1.00 0.00 C ATOM 440 C HIS A 32 1.064 -1.884 -14.077 1.00 0.00 C ATOM 441 O HIS A 32 1.305 -0.842 -13.503 1.00 0.00 O ATOM 442 CB HIS A 32 -0.621 -3.641 -13.681 1.00 0.00 C ATOM 443 CG HIS A 32 -0.716 -5.131 -13.572 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.493 -5.735 -12.606 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.168 -6.149 -14.310 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.398 -7.064 -12.781 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.603 -7.371 -13.808 1.00 0.00 N ATOM 0 H HIS A 32 -0.052 -2.519 -11.444 1.00 0.00 H new ATOM 0 HA HIS A 32 1.505 -3.944 -13.522 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.361 -3.176 -13.030 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.853 -3.330 -14.700 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.498 -6.021 -15.151 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.903 -7.794 -12.166 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.365 -8.302 -14.151 1.00 0.00 H new ATOM 455 N GLU A 33 1.008 -1.936 -15.375 1.00 0.00 N ATOM 456 CA GLU A 33 1.248 -0.700 -16.164 1.00 0.00 C ATOM 457 C GLU A 33 -0.001 0.179 -16.076 1.00 0.00 C ATOM 458 O GLU A 33 0.018 1.344 -16.420 1.00 0.00 O ATOM 459 CB GLU A 33 1.533 -1.048 -17.632 1.00 0.00 C ATOM 460 CG GLU A 33 2.085 -2.475 -17.734 1.00 0.00 C ATOM 461 CD GLU A 33 0.944 -3.450 -18.036 1.00 0.00 C ATOM 462 OE1 GLU A 33 0.513 -3.494 -19.176 1.00 0.00 O ATOM 463 OE2 GLU A 33 0.520 -4.137 -17.121 1.00 0.00 O ATOM 0 H GLU A 33 0.808 -2.774 -15.921 1.00 0.00 H new ATOM 0 HA GLU A 33 2.113 -0.172 -15.763 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.619 -0.960 -18.219 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.250 -0.341 -18.050 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.839 -2.528 -18.519 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.576 -2.753 -16.801 1.00 0.00 H new ATOM 470 N GLN A 34 -1.091 -0.384 -15.613 1.00 0.00 N ATOM 471 CA GLN A 34 -2.355 0.400 -15.493 1.00 0.00 C ATOM 472 C GLN A 34 -3.033 0.089 -14.154 1.00 0.00 C ATOM 473 O GLN A 34 -4.221 -0.163 -14.089 1.00 0.00 O ATOM 474 CB GLN A 34 -3.296 0.035 -16.646 1.00 0.00 C ATOM 475 CG GLN A 34 -2.611 0.325 -17.985 1.00 0.00 C ATOM 476 CD GLN A 34 -3.629 0.202 -19.120 1.00 0.00 C ATOM 477 OE1 GLN A 34 -4.352 1.135 -19.408 1.00 0.00 O ATOM 478 NE2 GLN A 34 -3.719 -0.919 -19.780 1.00 0.00 N ATOM 0 H GLN A 34 -1.157 -1.357 -15.313 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.124 1.464 -15.538 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.567 -1.019 -16.586 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.220 0.607 -16.568 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.181 1.327 -17.976 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.789 -0.373 -18.143 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.112 -1.703 -19.539 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.396 -1.012 -20.537 1.00 0.00 H new ATOM 487 N CYS A 35 -2.283 0.121 -13.085 1.00 0.00 N ATOM 488 CA CYS A 35 -2.867 -0.154 -11.737 1.00 0.00 C ATOM 489 C CYS A 35 -2.363 0.908 -10.756 1.00 0.00 C ATOM 490 O CYS A 35 -2.928 1.108 -9.700 1.00 0.00 O ATOM 491 CB CYS A 35 -2.433 -1.539 -11.256 1.00 0.00 C ATOM 492 SG CYS A 35 -3.387 -2.821 -12.108 1.00 0.00 S ATOM 0 H CYS A 35 -1.284 0.327 -13.086 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.955 -0.123 -11.795 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.369 -1.681 -11.445 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.580 -1.621 -10.179 1.00 0.00 H new ATOM 497 N PHE A 36 -1.308 1.595 -11.119 1.00 0.00 N ATOM 498 CA PHE A 36 -0.737 2.669 -10.247 1.00 0.00 C ATOM 499 C PHE A 36 -1.890 3.487 -9.639 1.00 0.00 C ATOM 500 O PHE A 36 -2.520 4.270 -10.323 1.00 0.00 O ATOM 501 CB PHE A 36 0.131 3.581 -11.122 1.00 0.00 C ATOM 502 CG PHE A 36 1.495 2.960 -11.365 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.613 1.630 -11.792 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.649 3.729 -11.173 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.881 1.077 -12.022 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.911 3.174 -11.402 1.00 0.00 C ATOM 507 CZ PHE A 36 4.028 1.850 -11.825 1.00 0.00 C ATOM 0 H PHE A 36 -0.810 1.454 -11.998 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.139 2.236 -9.445 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.367 3.759 -12.075 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.249 4.551 -10.638 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.727 1.031 -11.944 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.564 4.755 -10.847 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.971 0.053 -12.352 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.798 3.772 -11.251 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.004 1.423 -12.000 1.00 0.00 H new ATOM 517 N VAL A 37 -2.184 3.292 -8.371 1.00 0.00 N ATOM 518 CA VAL A 37 -3.321 4.038 -7.729 1.00 0.00 C ATOM 519 C VAL A 37 -2.819 5.023 -6.669 1.00 0.00 C ATOM 520 O VAL A 37 -1.697 4.957 -6.208 1.00 0.00 O ATOM 521 CB VAL A 37 -4.280 3.052 -7.047 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.421 2.697 -8.002 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.535 1.774 -6.659 1.00 0.00 C ATOM 0 H VAL A 37 -1.687 2.650 -7.754 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.832 4.589 -8.518 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.683 3.521 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.099 1.997 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.965 3.602 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.012 2.238 -8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.226 1.083 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.121 1.308 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.726 2.019 -5.970 1.00 0.00 H new ATOM 533 N CYS A 38 -3.680 5.929 -6.275 1.00 0.00 N ATOM 534 CA CYS A 38 -3.322 6.936 -5.233 1.00 0.00 C ATOM 535 C CYS A 38 -3.690 6.378 -3.852 1.00 0.00 C ATOM 536 O CYS A 38 -4.796 5.935 -3.627 1.00 0.00 O ATOM 537 CB CYS A 38 -4.118 8.217 -5.492 1.00 0.00 C ATOM 538 SG CYS A 38 -3.462 9.578 -4.495 1.00 0.00 S ATOM 0 H CYS A 38 -4.629 6.013 -6.638 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.254 7.151 -5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.069 8.476 -6.550 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.169 8.055 -5.252 1.00 0.00 H new ATOM 543 N ALA A 39 -2.767 6.388 -2.931 1.00 0.00 N ATOM 544 CA ALA A 39 -3.050 5.849 -1.563 1.00 0.00 C ATOM 545 C ALA A 39 -4.278 6.538 -0.950 1.00 0.00 C ATOM 546 O ALA A 39 -4.850 6.051 0.006 1.00 0.00 O ATOM 547 CB ALA A 39 -1.838 6.089 -0.657 1.00 0.00 C ATOM 0 H ALA A 39 -1.822 6.748 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.250 4.781 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.045 5.696 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.967 5.583 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.639 7.159 -0.591 1.00 0.00 H new ATOM 553 N GLN A 40 -4.680 7.667 -1.478 1.00 0.00 N ATOM 554 CA GLN A 40 -5.863 8.379 -0.903 1.00 0.00 C ATOM 555 C GLN A 40 -7.072 8.245 -1.836 1.00 0.00 C ATOM 556 O GLN A 40 -8.053 7.613 -1.497 1.00 0.00 O ATOM 557 CB GLN A 40 -5.524 9.862 -0.709 1.00 0.00 C ATOM 558 CG GLN A 40 -4.089 10.001 -0.186 1.00 0.00 C ATOM 559 CD GLN A 40 -3.945 11.304 0.606 1.00 0.00 C ATOM 560 OE1 GLN A 40 -4.870 11.737 1.266 1.00 0.00 O ATOM 561 NE2 GLN A 40 -2.814 11.951 0.572 1.00 0.00 N ATOM 0 H GLN A 40 -4.243 8.125 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.111 7.931 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.630 10.396 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.223 10.316 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.840 9.150 0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.387 9.993 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.036 11.590 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.707 12.818 1.098 1.00 0.00 H new ATOM 570 N CYS A 41 -7.019 8.841 -3.002 1.00 0.00 N ATOM 571 CA CYS A 41 -8.179 8.748 -3.941 1.00 0.00 C ATOM 572 C CYS A 41 -8.235 7.350 -4.566 1.00 0.00 C ATOM 573 O CYS A 41 -9.212 6.980 -5.188 1.00 0.00 O ATOM 574 CB CYS A 41 -8.041 9.808 -5.041 1.00 0.00 C ATOM 575 SG CYS A 41 -6.726 9.341 -6.195 1.00 0.00 S ATOM 0 H CYS A 41 -6.226 9.385 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.101 8.925 -3.388 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.985 9.913 -5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.818 10.778 -4.596 1.00 0.00 H new ATOM 580 N PHE A 42 -7.194 6.572 -4.399 1.00 0.00 N ATOM 581 CA PHE A 42 -7.167 5.190 -4.974 1.00 0.00 C ATOM 582 C PHE A 42 -7.465 5.236 -6.473 1.00 0.00 C ATOM 583 O PHE A 42 -7.764 4.228 -7.084 1.00 0.00 O ATOM 584 CB PHE A 42 -8.203 4.310 -4.272 1.00 0.00 C ATOM 585 CG PHE A 42 -7.883 4.231 -2.797 1.00 0.00 C ATOM 586 CD1 PHE A 42 -6.699 3.617 -2.369 1.00 0.00 C ATOM 587 CD2 PHE A 42 -8.768 4.772 -1.858 1.00 0.00 C ATOM 588 CE1 PHE A 42 -6.402 3.544 -1.003 1.00 0.00 C ATOM 589 CE2 PHE A 42 -8.471 4.700 -0.492 1.00 0.00 C ATOM 590 CZ PHE A 42 -7.288 4.085 -0.065 1.00 0.00 C ATOM 0 H PHE A 42 -6.354 6.837 -3.884 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.174 4.768 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.202 4.721 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.203 3.311 -4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.015 3.200 -3.093 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.681 5.246 -2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.489 3.070 -0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.154 5.119 0.232 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.059 4.028 0.989 1.00 0.00 H new ATOM 600 N GLN A 43 -7.372 6.390 -7.073 1.00 0.00 N ATOM 601 CA GLN A 43 -7.632 6.490 -8.533 1.00 0.00 C ATOM 602 C GLN A 43 -6.419 5.930 -9.272 1.00 0.00 C ATOM 603 O GLN A 43 -5.301 6.361 -9.052 1.00 0.00 O ATOM 604 CB GLN A 43 -7.841 7.959 -8.918 1.00 0.00 C ATOM 605 CG GLN A 43 -8.179 8.058 -10.410 1.00 0.00 C ATOM 606 CD GLN A 43 -8.670 9.472 -10.731 1.00 0.00 C ATOM 607 OE1 GLN A 43 -8.012 10.443 -10.415 1.00 0.00 O ATOM 608 NE2 GLN A 43 -9.806 9.629 -11.350 1.00 0.00 N ATOM 0 H GLN A 43 -7.127 7.267 -6.614 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.527 5.927 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.646 8.390 -8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.941 8.534 -8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.299 7.823 -11.009 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.946 7.328 -10.669 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.359 8.814 -11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.142 10.567 -11.569 1.00 0.00 H new ATOM 617 N GLN A 44 -6.621 4.964 -10.131 1.00 0.00 N ATOM 618 CA GLN A 44 -5.472 4.380 -10.864 1.00 0.00 C ATOM 619 C GLN A 44 -5.102 5.277 -12.037 1.00 0.00 C ATOM 620 O GLN A 44 -5.751 6.268 -12.306 1.00 0.00 O ATOM 621 CB GLN A 44 -5.827 2.980 -11.369 1.00 0.00 C ATOM 622 CG GLN A 44 -6.737 3.065 -12.603 1.00 0.00 C ATOM 623 CD GLN A 44 -8.100 3.638 -12.202 1.00 0.00 C ATOM 624 OE1 GLN A 44 -8.389 4.788 -12.462 1.00 0.00 O ATOM 625 NE2 GLN A 44 -8.953 2.878 -11.572 1.00 0.00 N ATOM 0 H GLN A 44 -7.531 4.559 -10.352 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.620 4.304 -10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.916 2.436 -11.619 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.327 2.419 -10.580 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.276 3.695 -13.364 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.863 2.076 -13.043 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.711 1.912 -11.353 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.862 3.250 -11.298 1.00 0.00 H new ATOM 634 N PHE A 45 -4.062 4.929 -12.733 1.00 0.00 N ATOM 635 CA PHE A 45 -3.629 5.753 -13.897 1.00 0.00 C ATOM 636 C PHE A 45 -2.806 4.893 -14.865 1.00 0.00 C ATOM 637 O PHE A 45 -1.870 4.233 -14.455 1.00 0.00 O ATOM 638 CB PHE A 45 -2.773 6.921 -13.394 1.00 0.00 C ATOM 639 CG PHE A 45 -3.677 8.051 -12.962 1.00 0.00 C ATOM 640 CD1 PHE A 45 -4.373 8.791 -13.922 1.00 0.00 C ATOM 641 CD2 PHE A 45 -3.823 8.354 -11.603 1.00 0.00 C ATOM 642 CE1 PHE A 45 -5.214 9.837 -13.526 1.00 0.00 C ATOM 643 CE2 PHE A 45 -4.666 9.400 -11.206 1.00 0.00 C ATOM 644 CZ PHE A 45 -5.360 10.141 -12.169 1.00 0.00 C ATOM 0 H PHE A 45 -3.488 4.106 -12.548 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.506 6.136 -14.418 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.151 6.598 -12.559 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.100 7.259 -14.182 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.262 8.555 -14.970 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.286 7.782 -10.861 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.750 10.409 -14.268 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.780 9.634 -10.158 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.009 10.948 -11.864 1.00 0.00 H new ATOM 654 N PRO A 46 -3.174 4.932 -16.127 1.00 0.00 N ATOM 655 CA PRO A 46 -2.473 4.164 -17.173 1.00 0.00 C ATOM 656 C PRO A 46 -1.024 4.642 -17.296 1.00 0.00 C ATOM 657 O PRO A 46 -0.205 4.011 -17.935 1.00 0.00 O ATOM 658 CB PRO A 46 -3.241 4.457 -18.465 1.00 0.00 C ATOM 659 CG PRO A 46 -4.382 5.449 -18.120 1.00 0.00 C ATOM 660 CD PRO A 46 -4.313 5.734 -16.612 1.00 0.00 C ATOM 0 HA PRO A 46 -2.442 3.098 -16.949 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.577 4.884 -19.216 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.648 3.537 -18.885 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.271 6.372 -18.689 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.351 5.025 -18.385 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.161 6.796 -16.417 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.239 5.448 -16.113 1.00 0.00 H new ATOM 668 N GLU A 47 -0.712 5.755 -16.686 1.00 0.00 N ATOM 669 CA GLU A 47 0.678 6.293 -16.750 1.00 0.00 C ATOM 670 C GLU A 47 1.668 5.190 -16.371 1.00 0.00 C ATOM 671 O GLU A 47 2.776 5.139 -16.870 1.00 0.00 O ATOM 672 CB GLU A 47 0.815 7.455 -15.763 1.00 0.00 C ATOM 673 CG GLU A 47 0.045 8.673 -16.284 1.00 0.00 C ATOM 674 CD GLU A 47 -0.472 9.499 -15.100 1.00 0.00 C ATOM 675 OE1 GLU A 47 0.339 9.892 -14.276 1.00 0.00 O ATOM 676 OE2 GLU A 47 -1.669 9.725 -15.038 1.00 0.00 O ATOM 0 H GLU A 47 -1.366 6.318 -16.142 1.00 0.00 H new ATOM 0 HA GLU A 47 0.889 6.642 -17.761 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.431 7.161 -14.786 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.867 7.708 -15.629 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.693 9.285 -16.912 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.789 8.350 -16.907 1.00 0.00 H new ATOM 683 N GLY A 48 1.270 4.308 -15.490 1.00 0.00 N ATOM 684 CA GLY A 48 2.179 3.202 -15.069 1.00 0.00 C ATOM 685 C GLY A 48 3.465 3.787 -14.482 1.00 0.00 C ATOM 686 O GLY A 48 4.474 3.114 -14.388 1.00 0.00 O ATOM 0 H GLY A 48 0.353 4.307 -15.044 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.684 2.573 -14.330 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.414 2.566 -15.923 1.00 0.00 H new ATOM 690 N LEU A 49 3.438 5.037 -14.088 1.00 0.00 N ATOM 691 CA LEU A 49 4.660 5.668 -13.510 1.00 0.00 C ATOM 692 C LEU A 49 4.327 7.075 -12.996 1.00 0.00 C ATOM 693 O LEU A 49 4.894 8.056 -13.438 1.00 0.00 O ATOM 694 CB LEU A 49 5.752 5.754 -14.588 1.00 0.00 C ATOM 695 CG LEU A 49 7.123 5.481 -13.958 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.165 5.286 -15.063 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.532 6.668 -13.077 1.00 0.00 C ATOM 0 H LEU A 49 2.621 5.646 -14.143 1.00 0.00 H new ATOM 0 HA LEU A 49 5.019 5.062 -12.679 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.554 5.030 -15.379 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.743 6.741 -15.050 1.00 0.00 H new ATOM 0 HG LEU A 49 7.065 4.580 -13.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.139 5.092 -14.614 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.879 4.440 -15.688 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.220 6.187 -15.674 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.507 6.471 -12.631 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.587 7.571 -13.685 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.793 6.807 -12.288 1.00 0.00 H new ATOM 709 N PHE A 50 3.418 7.185 -12.059 1.00 0.00 N ATOM 710 CA PHE A 50 3.073 8.534 -11.521 1.00 0.00 C ATOM 711 C PHE A 50 3.945 8.829 -10.287 1.00 0.00 C ATOM 712 O PHE A 50 5.140 9.014 -10.410 1.00 0.00 O ATOM 713 CB PHE A 50 1.571 8.614 -11.180 1.00 0.00 C ATOM 714 CG PHE A 50 1.124 7.507 -10.235 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.046 6.641 -9.629 1.00 0.00 C ATOM 716 CD2 PHE A 50 -0.242 7.365 -9.957 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.599 5.648 -8.753 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.685 6.369 -9.081 1.00 0.00 C ATOM 719 CZ PHE A 50 0.238 5.512 -8.477 1.00 0.00 C ATOM 0 H PHE A 50 2.905 6.406 -11.647 1.00 0.00 H new ATOM 0 HA PHE A 50 3.275 9.290 -12.280 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.356 9.582 -10.727 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.990 8.557 -12.100 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.101 6.741 -9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.957 8.028 -10.422 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.311 4.982 -8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.739 6.263 -8.872 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.102 4.745 -7.797 1.00 0.00 H new ATOM 729 N TYR A 51 3.374 8.869 -9.108 1.00 0.00 N ATOM 730 CA TYR A 51 4.197 9.146 -7.894 1.00 0.00 C ATOM 731 C TYR A 51 4.019 8.024 -6.859 1.00 0.00 C ATOM 732 O TYR A 51 3.449 8.221 -5.803 1.00 0.00 O ATOM 733 CB TYR A 51 3.775 10.491 -7.293 1.00 0.00 C ATOM 734 CG TYR A 51 4.775 11.549 -7.694 1.00 0.00 C ATOM 735 CD1 TYR A 51 6.047 11.559 -7.112 1.00 0.00 C ATOM 736 CD2 TYR A 51 4.432 12.516 -8.647 1.00 0.00 C ATOM 737 CE1 TYR A 51 6.979 12.533 -7.481 1.00 0.00 C ATOM 738 CE2 TYR A 51 5.365 13.492 -9.018 1.00 0.00 C ATOM 739 CZ TYR A 51 6.639 13.501 -8.434 1.00 0.00 C ATOM 740 OH TYR A 51 7.557 14.464 -8.799 1.00 0.00 O ATOM 0 H TYR A 51 2.379 8.723 -8.936 1.00 0.00 H new ATOM 0 HA TYR A 51 5.249 9.188 -8.176 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.779 10.763 -7.643 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.722 10.417 -6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.309 10.813 -6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.449 12.509 -9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.961 12.539 -7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.103 14.238 -9.754 1.00 0.00 H new ATOM 0 HH TYR A 51 7.160 15.056 -9.471 1.00 0.00 H new ATOM 750 N GLU A 52 4.523 6.850 -7.149 1.00 0.00 N ATOM 751 CA GLU A 52 4.405 5.716 -6.177 1.00 0.00 C ATOM 752 C GLU A 52 5.634 5.722 -5.262 1.00 0.00 C ATOM 753 O GLU A 52 6.730 6.034 -5.690 1.00 0.00 O ATOM 754 CB GLU A 52 4.327 4.376 -6.927 1.00 0.00 C ATOM 755 CG GLU A 52 5.030 4.494 -8.286 1.00 0.00 C ATOM 756 CD GLU A 52 5.330 3.098 -8.841 1.00 0.00 C ATOM 757 OE1 GLU A 52 4.528 2.203 -8.621 1.00 0.00 O ATOM 758 OE2 GLU A 52 6.355 2.949 -9.484 1.00 0.00 O ATOM 0 H GLU A 52 5.011 6.627 -8.016 1.00 0.00 H new ATOM 0 HA GLU A 52 3.497 5.837 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.794 3.590 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.285 4.090 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.400 5.045 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.956 5.059 -8.178 1.00 0.00 H new ATOM 765 N PHE A 53 5.465 5.391 -4.006 1.00 0.00 N ATOM 766 CA PHE A 53 6.631 5.391 -3.069 1.00 0.00 C ATOM 767 C PHE A 53 6.579 4.153 -2.164 1.00 0.00 C ATOM 768 O PHE A 53 5.676 3.345 -2.248 1.00 0.00 O ATOM 769 CB PHE A 53 6.588 6.662 -2.211 1.00 0.00 C ATOM 770 CG PHE A 53 7.710 7.588 -2.623 1.00 0.00 C ATOM 771 CD1 PHE A 53 8.961 7.488 -2.003 1.00 0.00 C ATOM 772 CD2 PHE A 53 7.501 8.545 -3.627 1.00 0.00 C ATOM 773 CE1 PHE A 53 10.002 8.344 -2.383 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.543 9.400 -4.006 1.00 0.00 C ATOM 775 CZ PHE A 53 9.793 9.299 -3.385 1.00 0.00 C ATOM 0 H PHE A 53 4.574 5.122 -3.590 1.00 0.00 H new ATOM 0 HA PHE A 53 7.557 5.367 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.627 7.162 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.684 6.405 -1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.123 6.750 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.537 8.622 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.966 8.267 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.382 10.138 -4.778 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.597 9.958 -3.679 1.00 0.00 H new ATOM 785 N GLU A 54 7.553 4.000 -1.305 1.00 0.00 N ATOM 786 CA GLU A 54 7.577 2.816 -0.396 1.00 0.00 C ATOM 787 C GLU A 54 6.525 2.986 0.700 1.00 0.00 C ATOM 788 O GLU A 54 6.487 3.989 1.388 1.00 0.00 O ATOM 789 CB GLU A 54 8.965 2.691 0.241 1.00 0.00 C ATOM 790 CG GLU A 54 9.172 1.259 0.744 1.00 0.00 C ATOM 791 CD GLU A 54 10.606 1.101 1.260 1.00 0.00 C ATOM 792 OE1 GLU A 54 11.482 0.850 0.450 1.00 0.00 O ATOM 793 OE2 GLU A 54 10.801 1.236 2.457 1.00 0.00 O ATOM 0 H GLU A 54 8.335 4.646 -1.194 1.00 0.00 H new ATOM 0 HA GLU A 54 7.356 1.916 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.735 2.946 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.062 3.395 1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.461 1.035 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.983 0.549 -0.061 1.00 0.00 H new ATOM 800 N GLY A 55 5.669 2.010 0.866 1.00 0.00 N ATOM 801 CA GLY A 55 4.614 2.105 1.916 1.00 0.00 C ATOM 802 C GLY A 55 3.648 3.243 1.578 1.00 0.00 C ATOM 803 O GLY A 55 2.769 3.570 2.353 1.00 0.00 O ATOM 0 H GLY A 55 5.656 1.150 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.071 1.163 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.072 2.281 2.890 1.00 0.00 H new ATOM 807 N ARG A 56 3.804 3.850 0.428 1.00 0.00 N ATOM 808 CA ARG A 56 2.897 4.968 0.037 1.00 0.00 C ATOM 809 C ARG A 56 2.693 4.951 -1.479 1.00 0.00 C ATOM 810 O ARG A 56 3.293 4.168 -2.187 1.00 0.00 O ATOM 811 CB ARG A 56 3.523 6.306 0.449 1.00 0.00 C ATOM 812 CG ARG A 56 3.599 6.393 1.976 1.00 0.00 C ATOM 813 CD ARG A 56 3.996 7.814 2.391 1.00 0.00 C ATOM 814 NE ARG A 56 5.102 7.762 3.404 1.00 0.00 N ATOM 815 CZ ARG A 56 5.055 6.943 4.426 1.00 0.00 C ATOM 816 NH1 ARG A 56 3.995 6.216 4.650 1.00 0.00 N ATOM 817 NH2 ARG A 56 6.067 6.875 5.244 1.00 0.00 N ATOM 0 H ARG A 56 4.523 3.617 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 56 1.937 4.846 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.521 6.399 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.929 7.132 0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.636 6.131 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.327 5.676 2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.318 8.380 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.134 8.334 2.808 1.00 0.00 H new ATOM 0 HE ARG A 56 5.908 8.378 3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.191 6.281 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.971 5.582 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.890 7.457 5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.037 6.240 6.041 1.00 0.00 H new ATOM 831 N LYS A 57 1.849 5.811 -1.978 1.00 0.00 N ATOM 832 CA LYS A 57 1.599 5.855 -3.448 1.00 0.00 C ATOM 833 C LYS A 57 0.690 7.043 -3.765 1.00 0.00 C ATOM 834 O LYS A 57 -0.345 7.221 -3.157 1.00 0.00 O ATOM 835 CB LYS A 57 0.924 4.553 -3.900 1.00 0.00 C ATOM 836 CG LYS A 57 -0.283 4.258 -3.003 1.00 0.00 C ATOM 837 CD LYS A 57 -0.634 2.770 -3.072 1.00 0.00 C ATOM 838 CE LYS A 57 -1.647 2.530 -4.193 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.633 1.500 -3.759 1.00 0.00 N ATOM 0 H LYS A 57 1.319 6.488 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 57 2.546 5.965 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.605 4.639 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.635 3.728 -3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.060 4.540 -1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.137 4.857 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.266 2.182 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.047 2.439 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.160 3.460 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.134 2.200 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.743 0.788 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.294 1.039 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.551 1.954 -3.575 1.00 0.00 H new ATOM 853 N TYR A 58 1.074 7.864 -4.702 1.00 0.00 N ATOM 854 CA TYR A 58 0.233 9.046 -5.046 1.00 0.00 C ATOM 855 C TYR A 58 0.246 9.275 -6.553 1.00 0.00 C ATOM 856 O TYR A 58 1.201 8.958 -7.234 1.00 0.00 O ATOM 857 CB TYR A 58 0.796 10.287 -4.350 1.00 0.00 C ATOM 858 CG TYR A 58 0.824 10.053 -2.859 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.368 10.060 -2.124 1.00 0.00 C ATOM 860 CD2 TYR A 58 2.044 9.822 -2.215 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.337 9.838 -0.742 1.00 0.00 C ATOM 862 CE2 TYR A 58 2.075 9.600 -0.834 1.00 0.00 C ATOM 863 CZ TYR A 58 0.884 9.607 -0.098 1.00 0.00 C ATOM 864 OH TYR A 58 0.916 9.388 1.264 1.00 0.00 O ATOM 0 H TYR A 58 1.933 7.769 -5.244 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.790 8.863 -4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.801 10.499 -4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.183 11.158 -4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.310 10.236 -2.622 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.962 9.815 -2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.255 9.845 -0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.017 9.423 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 58 0.080 8.962 1.547 1.00 0.00 H new ATOM 874 N CYS A 59 -0.806 9.844 -7.068 1.00 0.00 N ATOM 875 CA CYS A 59 -0.868 10.127 -8.526 1.00 0.00 C ATOM 876 C CYS A 59 -0.627 11.617 -8.735 1.00 0.00 C ATOM 877 O CYS A 59 -0.344 12.343 -7.801 1.00 0.00 O ATOM 878 CB CYS A 59 -2.248 9.747 -9.066 1.00 0.00 C ATOM 879 SG CYS A 59 -3.534 10.443 -7.998 1.00 0.00 S ATOM 0 H CYS A 59 -1.630 10.127 -6.538 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.112 9.546 -9.054 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.366 10.119 -10.084 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.346 8.662 -9.110 1.00 0.00 H new ATOM 884 N GLU A 60 -0.744 12.086 -9.946 1.00 0.00 N ATOM 885 CA GLU A 60 -0.531 13.537 -10.196 1.00 0.00 C ATOM 886 C GLU A 60 -1.589 14.336 -9.425 1.00 0.00 C ATOM 887 O GLU A 60 -1.559 15.547 -9.393 1.00 0.00 O ATOM 888 CB GLU A 60 -0.659 13.823 -11.696 1.00 0.00 C ATOM 889 CG GLU A 60 -0.189 15.252 -11.991 1.00 0.00 C ATOM 890 CD GLU A 60 0.514 15.291 -13.351 1.00 0.00 C ATOM 891 OE1 GLU A 60 -0.168 15.490 -14.342 1.00 0.00 O ATOM 892 OE2 GLU A 60 1.722 15.123 -13.376 1.00 0.00 O ATOM 0 H GLU A 60 -0.977 11.530 -10.769 1.00 0.00 H new ATOM 0 HA GLU A 60 0.465 13.828 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.063 13.109 -12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.694 13.698 -12.013 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.040 15.933 -11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.491 15.591 -11.209 1.00 0.00 H new ATOM 899 N HIS A 61 -2.525 13.659 -8.805 1.00 0.00 N ATOM 900 CA HIS A 61 -3.591 14.372 -8.038 1.00 0.00 C ATOM 901 C HIS A 61 -3.081 14.728 -6.636 1.00 0.00 C ATOM 902 O HIS A 61 -2.930 15.885 -6.299 1.00 0.00 O ATOM 903 CB HIS A 61 -4.838 13.468 -7.941 1.00 0.00 C ATOM 904 CG HIS A 61 -5.436 13.535 -6.557 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.468 12.439 -5.697 1.00 0.00 N ATOM 906 CD2 HIS A 61 -6.022 14.567 -5.866 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.055 12.842 -4.555 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.411 14.128 -4.605 1.00 0.00 N ATOM 0 H HIS A 61 -2.596 12.641 -8.798 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.855 15.295 -8.553 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.578 13.780 -8.678 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.567 12.439 -8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.160 15.569 -6.245 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.219 12.202 -3.701 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.870 14.672 -3.875 1.00 0.00 H new ATOM 916 N ASP A 62 -2.829 13.750 -5.812 1.00 0.00 N ATOM 917 CA ASP A 62 -2.345 14.052 -4.437 1.00 0.00 C ATOM 918 C ASP A 62 -1.012 14.789 -4.522 1.00 0.00 C ATOM 919 O ASP A 62 -0.720 15.655 -3.719 1.00 0.00 O ATOM 920 CB ASP A 62 -2.163 12.750 -3.655 1.00 0.00 C ATOM 921 CG ASP A 62 -3.235 12.657 -2.570 1.00 0.00 C ATOM 922 OD1 ASP A 62 -3.219 13.485 -1.675 1.00 0.00 O ATOM 923 OD2 ASP A 62 -4.056 11.763 -2.655 1.00 0.00 O ATOM 0 H ASP A 62 -2.937 12.759 -6.030 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.076 14.677 -3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.235 11.895 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.171 12.718 -3.205 1.00 0.00 H new ATOM 928 N PHE A 63 -0.202 14.454 -5.488 1.00 0.00 N ATOM 929 CA PHE A 63 1.114 15.131 -5.618 1.00 0.00 C ATOM 930 C PHE A 63 0.922 16.576 -6.086 1.00 0.00 C ATOM 931 O PHE A 63 1.587 17.473 -5.602 1.00 0.00 O ATOM 932 CB PHE A 63 1.996 14.364 -6.607 1.00 0.00 C ATOM 933 CG PHE A 63 3.385 14.239 -6.023 1.00 0.00 C ATOM 934 CD1 PHE A 63 3.666 13.218 -5.106 1.00 0.00 C ATOM 935 CD2 PHE A 63 4.385 15.147 -6.390 1.00 0.00 C ATOM 936 CE1 PHE A 63 4.948 13.105 -4.555 1.00 0.00 C ATOM 937 CE2 PHE A 63 5.667 15.033 -5.838 1.00 0.00 C ATOM 938 CZ PHE A 63 5.948 14.013 -4.922 1.00 0.00 C ATOM 0 H PHE A 63 -0.396 13.741 -6.191 1.00 0.00 H new ATOM 0 HA PHE A 63 1.604 15.145 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.577 13.376 -6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.034 14.886 -7.563 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.894 12.518 -4.824 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.168 15.934 -7.097 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.165 12.318 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.440 15.733 -6.120 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.937 13.926 -4.498 1.00 0.00 H new ATOM 948 N GLN A 64 0.017 16.835 -7.006 1.00 0.00 N ATOM 949 CA GLN A 64 -0.175 18.249 -7.442 1.00 0.00 C ATOM 950 C GLN A 64 -0.859 19.014 -6.312 1.00 0.00 C ATOM 951 O GLN A 64 -0.780 20.224 -6.229 1.00 0.00 O ATOM 952 CB GLN A 64 -1.016 18.321 -8.726 1.00 0.00 C ATOM 953 CG GLN A 64 -2.492 18.053 -8.416 1.00 0.00 C ATOM 954 CD GLN A 64 -3.323 18.242 -9.686 1.00 0.00 C ATOM 955 OE1 GLN A 64 -4.050 19.207 -9.814 1.00 0.00 O ATOM 956 NE2 GLN A 64 -3.247 17.353 -10.639 1.00 0.00 N ATOM 0 H GLN A 64 -0.580 16.144 -7.461 1.00 0.00 H new ATOM 0 HA GLN A 64 0.794 18.696 -7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.907 19.304 -9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.651 17.590 -9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.616 17.039 -8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.840 18.731 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.637 16.542 -10.533 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.798 17.469 -11.490 1.00 0.00 H new ATOM 965 N MET A 65 -1.500 18.304 -5.421 1.00 0.00 N ATOM 966 CA MET A 65 -2.160 18.970 -4.267 1.00 0.00 C ATOM 967 C MET A 65 -1.057 19.583 -3.411 1.00 0.00 C ATOM 968 O MET A 65 -1.166 20.694 -2.930 1.00 0.00 O ATOM 969 CB MET A 65 -2.944 17.937 -3.450 1.00 0.00 C ATOM 970 CG MET A 65 -3.881 18.653 -2.472 1.00 0.00 C ATOM 971 SD MET A 65 -3.005 18.969 -0.919 1.00 0.00 S ATOM 972 CE MET A 65 -3.596 20.660 -0.658 1.00 0.00 C ATOM 0 H MET A 65 -1.593 17.289 -5.446 1.00 0.00 H new ATOM 0 HA MET A 65 -2.858 19.736 -4.606 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.520 17.294 -4.116 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.255 17.293 -2.903 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.227 19.592 -2.904 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.765 18.043 -2.286 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.170 21.056 0.264 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.291 21.286 -1.497 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.683 20.658 -0.584 1.00 0.00 H new ATOM 982 N LEU A 66 0.027 18.866 -3.254 1.00 0.00 N ATOM 983 CA LEU A 66 1.175 19.400 -2.468 1.00 0.00 C ATOM 984 C LEU A 66 1.853 20.468 -3.323 1.00 0.00 C ATOM 985 O LEU A 66 2.559 21.327 -2.833 1.00 0.00 O ATOM 986 CB LEU A 66 2.185 18.280 -2.181 1.00 0.00 C ATOM 987 CG LEU A 66 1.452 16.959 -1.927 1.00 0.00 C ATOM 988 CD1 LEU A 66 2.465 15.877 -1.547 1.00 0.00 C ATOM 989 CD2 LEU A 66 0.440 17.134 -0.788 1.00 0.00 C ATOM 0 H LEU A 66 0.164 17.931 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 66 0.826 19.809 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.866 18.170 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.791 18.541 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 66 0.924 16.663 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.943 14.937 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.179 15.745 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.996 16.177 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.077 16.191 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.963 17.435 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.285 17.901 -1.060 1.00 0.00 H new ATOM 1001 N PHE A 67 1.631 20.398 -4.613 1.00 0.00 N ATOM 1002 CA PHE A 67 2.233 21.375 -5.561 1.00 0.00 C ATOM 1003 C PHE A 67 3.748 21.157 -5.630 1.00 0.00 C ATOM 1004 O PHE A 67 4.507 21.742 -4.881 1.00 0.00 O ATOM 1005 CB PHE A 67 1.929 22.809 -5.109 1.00 0.00 C ATOM 1006 CG PHE A 67 2.110 23.753 -6.276 1.00 0.00 C ATOM 1007 CD1 PHE A 67 1.059 23.962 -7.177 1.00 0.00 C ATOM 1008 CD2 PHE A 67 3.329 24.418 -6.457 1.00 0.00 C ATOM 1009 CE1 PHE A 67 1.228 24.834 -8.259 1.00 0.00 C ATOM 1010 CE2 PHE A 67 3.497 25.290 -7.538 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.446 25.499 -8.439 1.00 0.00 C ATOM 0 H PHE A 67 1.045 19.688 -5.053 1.00 0.00 H new ATOM 0 HA PHE A 67 1.802 21.223 -6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.909 22.874 -4.730 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.592 23.093 -4.292 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.118 23.451 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.140 24.258 -5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.418 24.994 -8.955 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.438 25.802 -7.677 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.575 26.173 -9.273 1.00 0.00 H new ATOM 1021 N ALA A 68 4.189 20.315 -6.528 1.00 0.00 N ATOM 1022 CA ALA A 68 5.651 20.047 -6.659 1.00 0.00 C ATOM 1023 C ALA A 68 5.996 19.823 -8.138 1.00 0.00 C ATOM 1024 O ALA A 68 6.314 18.720 -8.539 1.00 0.00 O ATOM 1025 CB ALA A 68 6.011 18.799 -5.849 1.00 0.00 C ATOM 0 H ALA A 68 3.596 19.800 -7.179 1.00 0.00 H new ATOM 0 HA ALA A 68 6.217 20.898 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.079 18.600 -5.942 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.763 18.962 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.448 17.945 -6.227 1.00 0.00 H new ATOM 1031 N PRO A 69 5.921 20.886 -8.907 1.00 0.00 N ATOM 1032 CA PRO A 69 6.222 20.834 -10.351 1.00 0.00 C ATOM 1033 C PRO A 69 7.676 20.406 -10.573 1.00 0.00 C ATOM 1034 O PRO A 69 8.602 21.096 -10.191 1.00 0.00 O ATOM 1035 CB PRO A 69 5.995 22.269 -10.851 1.00 0.00 C ATOM 1036 CG PRO A 69 5.574 23.133 -9.634 1.00 0.00 C ATOM 1037 CD PRO A 69 5.532 22.216 -8.401 1.00 0.00 C ATOM 0 HA PRO A 69 5.598 20.114 -10.881 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.904 22.664 -11.304 1.00 0.00 H new ATOM 0 HB3 PRO A 69 5.222 22.288 -11.619 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.282 23.948 -9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.598 23.587 -9.807 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.218 22.561 -7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.537 22.195 -7.957 1.00 0.00 H new ATOM 1045 N CYS A 70 7.881 19.269 -11.187 1.00 0.00 N ATOM 1046 CA CYS A 70 9.271 18.789 -11.438 1.00 0.00 C ATOM 1047 C CYS A 70 9.894 19.594 -12.583 1.00 0.00 C ATOM 1048 O CYS A 70 11.085 19.856 -12.518 1.00 0.00 O ATOM 1049 CB CYS A 70 9.238 17.305 -11.813 1.00 0.00 C ATOM 1050 SG CYS A 70 8.052 17.046 -13.156 1.00 0.00 S ATOM 0 H CYS A 70 7.143 18.652 -11.526 1.00 0.00 H new ATOM 0 HA CYS A 70 9.869 18.923 -10.537 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.230 16.975 -12.121 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.958 16.706 -10.946 1.00 0.00 H new ATOM 0 HG CYS A 70 8.026 15.786 -13.475 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.580 -4.789 -11.222 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.796 10.590 -6.080 1.00 0.00 ZN