USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 519 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 53:sc= 0.00404 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.13 K(o=0.13,f=-1.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-3.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 103:sc= 0.937 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0767) USER MOD Single : A 36 HIS : no HD1:sc= -0.0984 K(o=-0.098,f=-0.9) USER MOD Single : A 39 ASN : amide:sc= -0.0635 K(o=-0.064,f=-4.6!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -0.0369 X(o=-0.037,f=-0.037) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.75 USER MOD Single : A 54 TYR OH : rot 147:sc= 0.936 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -47:sc= 0.81 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.867 -2.897 7.894 1.00 0.00 N ATOM 2 CA GLY A 1 -41.590 -2.281 9.179 1.00 0.00 C ATOM 3 C GLY A 1 -40.952 -0.913 9.040 1.00 0.00 C ATOM 4 O GLY A 1 -41.462 -0.052 8.325 1.00 0.00 O ATOM 0 H1 GLY A 1 -42.302 -3.830 8.043 1.00 0.00 H new ATOM 0 H2 GLY A 1 -42.518 -2.293 7.353 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.979 -3.010 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -42.519 -2.190 9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -40.930 -2.930 9.755 1.00 0.00 H new ATOM 8 N SER A 2 -39.832 -0.712 9.729 1.00 0.00 N ATOM 9 CA SER A 2 -39.126 0.563 9.684 1.00 0.00 C ATOM 10 C SER A 2 -37.907 0.478 8.770 1.00 0.00 C ATOM 11 O SER A 2 -37.470 -0.612 8.401 1.00 0.00 O ATOM 12 CB SER A 2 -38.695 0.982 11.091 1.00 0.00 C ATOM 13 OG SER A 2 -39.755 1.622 11.780 1.00 0.00 O ATOM 0 H SER A 2 -39.395 -1.416 10.324 1.00 0.00 H new ATOM 0 HA SER A 2 -39.807 1.313 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.370 0.105 11.651 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.840 1.655 11.027 1.00 0.00 H new ATOM 0 HG SER A 2 -39.455 1.878 12.677 1.00 0.00 H new ATOM 19 N SER A 3 -37.364 1.636 8.409 1.00 0.00 N ATOM 20 CA SER A 3 -36.198 1.693 7.535 1.00 0.00 C ATOM 21 C SER A 3 -35.222 2.769 8.003 1.00 0.00 C ATOM 22 O SER A 3 -35.378 3.946 7.682 1.00 0.00 O ATOM 23 CB SER A 3 -36.627 1.970 6.093 1.00 0.00 C ATOM 24 OG SER A 3 -37.693 2.903 6.049 1.00 0.00 O ATOM 0 H SER A 3 -37.712 2.547 8.708 1.00 0.00 H new ATOM 0 HA SER A 3 -35.695 0.727 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.779 2.354 5.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.934 1.039 5.616 1.00 0.00 H new ATOM 0 HG SER A 3 -37.446 3.706 6.553 1.00 0.00 H new ATOM 30 N GLY A 4 -34.213 2.354 8.764 1.00 0.00 N ATOM 31 CA GLY A 4 -33.226 3.293 9.264 1.00 0.00 C ATOM 32 C GLY A 4 -32.187 3.652 8.220 1.00 0.00 C ATOM 33 O GLY A 4 -31.125 3.033 8.153 1.00 0.00 O ATOM 0 H GLY A 4 -34.062 1.385 9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.729 4.200 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.729 2.864 10.134 1.00 0.00 H new ATOM 37 N SER A 5 -32.494 4.654 7.402 1.00 0.00 N ATOM 38 CA SER A 5 -31.580 5.091 6.353 1.00 0.00 C ATOM 39 C SER A 5 -30.868 6.379 6.755 1.00 0.00 C ATOM 40 O SER A 5 -31.083 7.433 6.156 1.00 0.00 O ATOM 41 CB SER A 5 -32.340 5.302 5.042 1.00 0.00 C ATOM 42 OG SER A 5 -31.453 5.328 3.937 1.00 0.00 O ATOM 0 H SER A 5 -33.368 5.178 7.445 1.00 0.00 H new ATOM 0 HA SER A 5 -30.831 4.312 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.069 4.503 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.897 6.238 5.087 1.00 0.00 H new ATOM 0 HG SER A 5 -31.963 5.462 3.111 1.00 0.00 H new ATOM 48 N SER A 6 -30.019 6.286 7.773 1.00 0.00 N ATOM 49 CA SER A 6 -29.277 7.443 8.258 1.00 0.00 C ATOM 50 C SER A 6 -27.794 7.116 8.403 1.00 0.00 C ATOM 51 O SER A 6 -27.424 5.987 8.720 1.00 0.00 O ATOM 52 CB SER A 6 -29.841 7.911 9.601 1.00 0.00 C ATOM 53 OG SER A 6 -29.364 9.203 9.933 1.00 0.00 O ATOM 0 H SER A 6 -29.828 5.421 8.278 1.00 0.00 H new ATOM 0 HA SER A 6 -29.385 8.245 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.930 7.922 9.557 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.561 7.205 10.382 1.00 0.00 H new ATOM 0 HG SER A 6 -29.741 9.479 10.795 1.00 0.00 H new ATOM 59 N GLY A 7 -26.948 8.115 8.168 1.00 0.00 N ATOM 60 CA GLY A 7 -25.515 7.915 8.277 1.00 0.00 C ATOM 61 C GLY A 7 -24.767 9.207 8.540 1.00 0.00 C ATOM 62 O GLY A 7 -25.335 10.164 9.066 1.00 0.00 O ATOM 0 H GLY A 7 -27.230 9.059 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.310 7.210 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.143 7.465 7.357 1.00 0.00 H new ATOM 66 N ARG A 8 -23.490 9.235 8.175 1.00 0.00 N ATOM 67 CA ARG A 8 -22.663 10.418 8.377 1.00 0.00 C ATOM 68 C ARG A 8 -21.490 10.435 7.401 1.00 0.00 C ATOM 69 O ARG A 8 -20.663 9.524 7.393 1.00 0.00 O ATOM 70 CB ARG A 8 -22.143 10.463 9.816 1.00 0.00 C ATOM 71 CG ARG A 8 -21.127 11.567 10.062 1.00 0.00 C ATOM 72 CD ARG A 8 -20.576 11.510 11.478 1.00 0.00 C ATOM 73 NE ARG A 8 -20.452 12.839 12.070 1.00 0.00 N ATOM 74 CZ ARG A 8 -19.668 13.111 13.108 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.942 12.151 13.664 1.00 0.00 N ATOM 76 NH2 ARG A 8 -19.608 14.345 13.591 1.00 0.00 N ATOM 0 H ARG A 8 -23.005 8.451 7.738 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.280 11.297 8.192 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.986 10.599 10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -21.689 9.502 10.060 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.309 11.476 9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -21.593 12.537 9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.230 10.897 12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.600 11.025 11.468 1.00 0.00 H new ATOM 0 HE ARG A 8 -20.997 13.600 11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.984 11.201 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.341 12.362 14.461 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.164 15.087 13.166 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -19.006 14.552 14.388 1.00 0.00 H new ATOM 90 N ASN A 9 -21.426 11.478 6.579 1.00 0.00 N ATOM 91 CA ASN A 9 -20.356 11.614 5.598 1.00 0.00 C ATOM 92 C ASN A 9 -19.173 12.377 6.185 1.00 0.00 C ATOM 93 O ASN A 9 -19.242 12.884 7.305 1.00 0.00 O ATOM 94 CB ASN A 9 -20.870 12.330 4.348 1.00 0.00 C ATOM 95 CG ASN A 9 -20.380 11.682 3.067 1.00 0.00 C ATOM 96 OD1 ASN A 9 -19.230 11.863 2.668 1.00 0.00 O ATOM 97 ND2 ASN A 9 -21.254 10.922 2.417 1.00 0.00 N ATOM 0 H ASN A 9 -22.103 12.241 6.573 1.00 0.00 H new ATOM 0 HA ASN A 9 -20.020 10.614 5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -21.960 12.333 4.357 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -20.549 13.371 4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.982 10.460 1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -22.197 10.800 2.785 1.00 0.00 H new ATOM 104 N ASP A 10 -18.088 12.455 5.422 1.00 0.00 N ATOM 105 CA ASP A 10 -16.890 13.158 5.866 1.00 0.00 C ATOM 106 C ASP A 10 -16.355 12.555 7.161 1.00 0.00 C ATOM 107 O ASP A 10 -16.622 13.062 8.251 1.00 0.00 O ATOM 108 CB ASP A 10 -17.190 14.644 6.065 1.00 0.00 C ATOM 109 CG ASP A 10 -15.934 15.494 6.052 1.00 0.00 C ATOM 110 OD1 ASP A 10 -15.348 15.670 4.964 1.00 0.00 O ATOM 111 OD2 ASP A 10 -15.539 15.985 7.130 1.00 0.00 O ATOM 0 H ASP A 10 -18.014 12.040 4.493 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.127 13.050 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.864 14.984 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.710 14.783 7.013 1.00 0.00 H new ATOM 116 N THR A 11 -15.598 11.470 7.035 1.00 0.00 N ATOM 117 CA THR A 11 -15.027 10.797 8.194 1.00 0.00 C ATOM 118 C THR A 11 -13.566 11.184 8.391 1.00 0.00 C ATOM 119 O THR A 11 -12.712 10.853 7.569 1.00 0.00 O ATOM 120 CB THR A 11 -15.128 9.265 8.061 1.00 0.00 C ATOM 121 OG1 THR A 11 -15.105 8.891 6.679 1.00 0.00 O ATOM 122 CG2 THR A 11 -16.402 8.748 8.711 1.00 0.00 C ATOM 0 H THR A 11 -15.366 11.038 6.140 1.00 0.00 H new ATOM 0 HA THR A 11 -15.604 11.118 9.061 1.00 0.00 H new ATOM 0 HB THR A 11 -14.273 8.821 8.571 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.168 7.916 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.451 7.664 8.604 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.402 9.009 9.769 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.267 9.200 8.226 1.00 0.00 H new ATOM 130 N GLU A 12 -13.286 11.885 9.485 1.00 0.00 N ATOM 131 CA GLU A 12 -11.926 12.316 9.787 1.00 0.00 C ATOM 132 C GLU A 12 -11.306 11.439 10.871 1.00 0.00 C ATOM 133 O GLU A 12 -11.987 10.622 11.491 1.00 0.00 O ATOM 134 CB GLU A 12 -11.920 13.780 10.235 1.00 0.00 C ATOM 135 CG GLU A 12 -12.537 13.999 11.606 1.00 0.00 C ATOM 136 CD GLU A 12 -13.697 14.977 11.574 1.00 0.00 C ATOM 137 OE1 GLU A 12 -13.568 16.028 10.913 1.00 0.00 O ATOM 138 OE2 GLU A 12 -14.732 14.688 12.209 1.00 0.00 O ATOM 0 H GLU A 12 -13.982 12.166 10.176 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.330 12.218 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.893 14.144 10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.462 14.378 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.883 13.044 12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.773 14.369 12.289 1.00 0.00 H new ATOM 145 N CYS A 13 -10.007 11.613 11.093 1.00 0.00 N ATOM 146 CA CYS A 13 -9.292 10.838 12.099 1.00 0.00 C ATOM 147 C CYS A 13 -9.287 11.563 13.442 1.00 0.00 C ATOM 148 O CYS A 13 -8.869 12.718 13.534 1.00 0.00 O ATOM 149 CB CYS A 13 -7.855 10.574 11.644 1.00 0.00 C ATOM 150 SG CYS A 13 -7.000 9.277 12.596 1.00 0.00 S ATOM 0 H CYS A 13 -9.428 12.285 10.589 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.808 9.886 12.222 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.865 10.290 10.592 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.285 11.500 11.719 1.00 0.00 H new ATOM 155 N ASP A 14 -9.754 10.878 14.480 1.00 0.00 N ATOM 156 CA ASP A 14 -9.802 11.455 15.818 1.00 0.00 C ATOM 157 C ASP A 14 -8.519 11.154 16.587 1.00 0.00 C ATOM 158 O ASP A 14 -8.117 11.916 17.467 1.00 0.00 O ATOM 159 CB ASP A 14 -11.010 10.916 16.586 1.00 0.00 C ATOM 160 CG ASP A 14 -12.283 11.676 16.270 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.203 12.904 16.053 1.00 0.00 O ATOM 162 OD2 ASP A 14 -13.359 11.044 16.240 1.00 0.00 O ATOM 0 H ASP A 14 -10.105 9.922 14.420 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.898 12.536 15.717 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.150 9.862 16.344 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.812 10.974 17.656 1.00 0.00 H new ATOM 167 N LEU A 15 -7.882 10.038 16.249 1.00 0.00 N ATOM 168 CA LEU A 15 -6.645 9.634 16.908 1.00 0.00 C ATOM 169 C LEU A 15 -5.622 10.766 16.885 1.00 0.00 C ATOM 170 O LEU A 15 -4.862 10.949 17.837 1.00 0.00 O ATOM 171 CB LEU A 15 -6.064 8.392 16.230 1.00 0.00 C ATOM 172 CG LEU A 15 -6.813 7.082 16.475 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.443 6.578 15.186 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.876 6.034 17.058 1.00 0.00 C ATOM 0 H LEU A 15 -8.202 9.397 15.523 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.876 9.398 17.947 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.029 8.572 15.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.035 8.267 16.566 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.610 7.270 17.195 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.972 5.645 15.380 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.145 7.322 14.809 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.664 6.406 14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.426 5.108 17.226 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.058 5.849 16.361 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.472 6.393 18.005 1.00 0.00 H new ATOM 186 N CYS A 16 -5.609 11.523 15.793 1.00 0.00 N ATOM 187 CA CYS A 16 -4.682 12.638 15.646 1.00 0.00 C ATOM 188 C CYS A 16 -5.434 13.941 15.393 1.00 0.00 C ATOM 189 O CYS A 16 -5.047 15.000 15.887 1.00 0.00 O ATOM 190 CB CYS A 16 -3.706 12.369 14.499 1.00 0.00 C ATOM 191 SG CYS A 16 -4.511 11.928 12.926 1.00 0.00 S ATOM 0 H CYS A 16 -6.231 11.384 14.996 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.122 12.737 16.576 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.091 13.255 14.344 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.034 11.562 14.790 1.00 0.00 H new ATOM 196 N GLY A 17 -6.512 13.855 14.620 1.00 0.00 N ATOM 197 CA GLY A 17 -7.302 15.034 14.314 1.00 0.00 C ATOM 198 C GLY A 17 -7.129 15.493 12.880 1.00 0.00 C ATOM 199 O GLY A 17 -7.984 16.189 12.336 1.00 0.00 O ATOM 0 H GLY A 17 -6.853 12.990 14.200 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.355 14.820 14.499 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.018 15.843 14.988 1.00 0.00 H new ATOM 203 N GLY A 18 -6.016 15.102 12.265 1.00 0.00 N ATOM 204 CA GLY A 18 -5.753 15.488 10.892 1.00 0.00 C ATOM 205 C GLY A 18 -4.650 16.521 10.781 1.00 0.00 C ATOM 206 O GLY A 18 -4.905 17.679 10.450 1.00 0.00 O ATOM 0 H GLY A 18 -5.293 14.525 12.694 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.478 14.604 10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.666 15.887 10.449 1.00 0.00 H new ATOM 210 N ASP A 19 -3.420 16.104 11.060 1.00 0.00 N ATOM 211 CA ASP A 19 -2.273 17.002 10.992 1.00 0.00 C ATOM 212 C ASP A 19 -0.966 16.216 10.999 1.00 0.00 C ATOM 213 O ASP A 19 -0.892 15.091 11.494 1.00 0.00 O ATOM 214 CB ASP A 19 -2.298 17.986 12.162 1.00 0.00 C ATOM 215 CG ASP A 19 -2.558 19.411 11.715 1.00 0.00 C ATOM 216 OD1 ASP A 19 -1.698 19.977 11.009 1.00 0.00 O ATOM 217 OD2 ASP A 19 -3.622 19.960 12.073 1.00 0.00 O ATOM 0 H ASP A 19 -3.191 15.149 11.336 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.335 17.560 10.058 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.070 17.684 12.870 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.346 17.942 12.690 1.00 0.00 H new ATOM 222 N PRO A 20 0.091 16.820 10.437 1.00 0.00 N ATOM 223 CA PRO A 20 1.415 16.194 10.365 1.00 0.00 C ATOM 224 C PRO A 20 2.080 16.087 11.733 1.00 0.00 C ATOM 225 O PRO A 20 2.595 15.032 12.102 1.00 0.00 O ATOM 226 CB PRO A 20 2.206 17.140 9.459 1.00 0.00 C ATOM 227 CG PRO A 20 1.533 18.460 9.610 1.00 0.00 C ATOM 228 CD PRO A 20 0.076 18.160 9.827 1.00 0.00 C ATOM 0 HA PRO A 20 1.362 15.171 9.993 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.253 17.193 9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.188 16.803 8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.947 19.015 10.452 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.677 19.075 8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.392 18.895 10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.480 18.169 8.890 1.00 0.00 H new ATOM 236 N GLU A 21 2.065 17.186 12.481 1.00 0.00 N ATOM 237 CA GLU A 21 2.667 17.214 13.809 1.00 0.00 C ATOM 238 C GLU A 21 1.969 16.231 14.744 1.00 0.00 C ATOM 239 O GLU A 21 2.617 15.516 15.508 1.00 0.00 O ATOM 240 CB GLU A 21 2.601 18.627 14.394 1.00 0.00 C ATOM 241 CG GLU A 21 1.192 19.194 14.456 1.00 0.00 C ATOM 242 CD GLU A 21 1.177 20.696 14.667 1.00 0.00 C ATOM 243 OE1 GLU A 21 1.975 21.188 15.491 1.00 0.00 O ATOM 244 OE2 GLU A 21 0.366 21.379 14.006 1.00 0.00 O ATOM 0 H GLU A 21 1.643 18.068 12.190 1.00 0.00 H new ATOM 0 HA GLU A 21 3.711 16.917 13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.024 18.616 15.399 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.224 19.289 13.793 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.667 18.955 13.531 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.645 18.711 15.266 1.00 0.00 H new ATOM 251 N LYS A 22 0.642 16.202 14.679 1.00 0.00 N ATOM 252 CA LYS A 22 -0.146 15.308 15.518 1.00 0.00 C ATOM 253 C LYS A 22 0.140 13.849 15.178 1.00 0.00 C ATOM 254 O LYS A 22 -0.440 13.293 14.245 1.00 0.00 O ATOM 255 CB LYS A 22 -1.639 15.599 15.348 1.00 0.00 C ATOM 256 CG LYS A 22 -2.038 17.001 15.774 1.00 0.00 C ATOM 257 CD LYS A 22 -3.011 16.974 16.940 1.00 0.00 C ATOM 258 CE LYS A 22 -2.742 18.109 17.917 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.616 19.286 17.654 1.00 0.00 N ATOM 0 H LYS A 22 0.090 16.788 14.053 1.00 0.00 H new ATOM 0 HA LYS A 22 0.136 15.483 16.556 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.912 15.455 14.303 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.210 14.875 15.930 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.148 17.564 16.055 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.493 17.523 14.932 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.032 17.049 16.565 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.932 16.019 17.459 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.904 17.757 18.936 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.697 18.410 17.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.402 20.037 18.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.444 19.638 16.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.613 19.006 17.747 1.00 0.00 H new ATOM 273 N LYS A 23 1.038 13.233 15.940 1.00 0.00 N ATOM 274 CA LYS A 23 1.400 11.838 15.721 1.00 0.00 C ATOM 275 C LYS A 23 0.162 10.946 15.738 1.00 0.00 C ATOM 276 O LYS A 23 -0.840 11.268 16.377 1.00 0.00 O ATOM 277 CB LYS A 23 2.390 11.373 16.791 1.00 0.00 C ATOM 278 CG LYS A 23 3.592 10.635 16.227 1.00 0.00 C ATOM 279 CD LYS A 23 4.824 11.524 16.188 1.00 0.00 C ATOM 280 CE LYS A 23 4.972 12.213 14.840 1.00 0.00 C ATOM 281 NZ LYS A 23 6.398 12.325 14.428 1.00 0.00 N ATOM 0 H LYS A 23 1.529 13.679 16.715 1.00 0.00 H new ATOM 0 HA LYS A 23 1.870 11.760 14.741 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.737 12.239 17.354 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.872 10.722 17.495 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.797 9.754 16.835 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.365 10.282 15.221 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.758 12.274 16.976 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.712 10.926 16.391 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.418 11.655 14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.529 13.208 14.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.456 12.800 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.921 12.879 15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.814 11.375 14.355 1.00 0.00 H new ATOM 295 N CYS A 24 0.239 9.823 15.032 1.00 0.00 N ATOM 296 CA CYS A 24 -0.874 8.883 14.966 1.00 0.00 C ATOM 297 C CYS A 24 -0.368 7.452 14.808 1.00 0.00 C ATOM 298 O CYS A 24 0.745 7.224 14.335 1.00 0.00 O ATOM 299 CB CYS A 24 -1.801 9.240 13.802 1.00 0.00 C ATOM 300 SG CYS A 24 -3.491 8.582 13.970 1.00 0.00 S ATOM 0 H CYS A 24 1.061 9.542 14.497 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.432 8.951 15.900 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.852 10.325 13.712 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.366 8.863 12.876 1.00 0.00 H new ATOM 305 N HIS A 25 -1.195 6.491 15.207 1.00 0.00 N ATOM 306 CA HIS A 25 -0.833 5.081 15.109 1.00 0.00 C ATOM 307 C HIS A 25 -1.482 4.437 13.888 1.00 0.00 C ATOM 308 O HIS A 25 -0.967 3.463 13.340 1.00 0.00 O ATOM 309 CB HIS A 25 -1.253 4.336 16.377 1.00 0.00 C ATOM 310 CG HIS A 25 -0.112 4.031 17.298 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.083 3.496 16.864 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.013 4.191 18.636 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.893 3.339 17.896 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.267 3.753 18.984 1.00 0.00 N ATOM 0 H HIS A 25 -2.120 6.663 15.601 1.00 0.00 H new ATOM 0 HA HIS A 25 0.250 5.016 15.000 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.991 4.933 16.912 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.741 3.403 16.096 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.735 4.589 19.306 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.896 2.940 17.857 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.653 3.748 19.928 1.00 0.00 H new ATOM 322 N SER A 26 -2.616 4.988 13.467 1.00 0.00 N ATOM 323 CA SER A 26 -3.338 4.464 12.313 1.00 0.00 C ATOM 324 C SER A 26 -2.810 5.075 11.019 1.00 0.00 C ATOM 325 O SER A 26 -2.388 4.361 10.108 1.00 0.00 O ATOM 326 CB SER A 26 -4.835 4.747 12.450 1.00 0.00 C ATOM 327 OG SER A 26 -5.540 4.335 11.292 1.00 0.00 O ATOM 0 H SER A 26 -3.055 5.797 13.907 1.00 0.00 H new ATOM 0 HA SER A 26 -3.181 3.386 12.276 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.228 4.227 13.323 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.993 5.813 12.616 1.00 0.00 H new ATOM 0 HG SER A 26 -6.495 4.525 11.405 1.00 0.00 H new ATOM 333 N CYS A 27 -2.836 6.402 10.944 1.00 0.00 N ATOM 334 CA CYS A 27 -2.361 7.111 9.763 1.00 0.00 C ATOM 335 C CYS A 27 -0.923 6.720 9.434 1.00 0.00 C ATOM 336 O CYS A 27 -0.494 6.802 8.284 1.00 0.00 O ATOM 337 CB CYS A 27 -2.453 8.623 9.978 1.00 0.00 C ATOM 338 SG CYS A 27 -4.139 9.224 10.320 1.00 0.00 S ATOM 0 H CYS A 27 -3.182 7.008 11.688 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.996 6.831 8.923 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.804 8.901 10.808 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.071 9.129 9.091 1.00 0.00 H new ATOM 343 N SER A 28 -0.184 6.294 10.454 1.00 0.00 N ATOM 344 CA SER A 28 1.206 5.894 10.276 1.00 0.00 C ATOM 345 C SER A 28 1.451 4.506 10.860 1.00 0.00 C ATOM 346 O SER A 28 0.512 3.800 11.228 1.00 0.00 O ATOM 347 CB SER A 28 2.141 6.909 10.936 1.00 0.00 C ATOM 348 OG SER A 28 2.296 6.637 12.318 1.00 0.00 O ATOM 0 H SER A 28 -0.525 6.217 11.412 1.00 0.00 H new ATOM 0 HA SER A 28 1.414 5.862 9.206 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.114 6.884 10.446 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.743 7.915 10.803 1.00 0.00 H new ATOM 0 HG SER A 28 3.164 6.208 12.472 1.00 0.00 H new ATOM 354 N CYS A 29 2.720 4.121 10.942 1.00 0.00 N ATOM 355 CA CYS A 29 3.091 2.818 11.480 1.00 0.00 C ATOM 356 C CYS A 29 2.470 2.601 12.857 1.00 0.00 C ATOM 357 O CYS A 29 2.625 3.428 13.756 1.00 0.00 O ATOM 358 CB CYS A 29 4.614 2.695 11.571 1.00 0.00 C ATOM 359 SG CYS A 29 5.205 1.000 11.883 1.00 0.00 S ATOM 0 H CYS A 29 3.509 4.693 10.642 1.00 0.00 H new ATOM 0 HA CYS A 29 2.711 2.052 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.053 3.056 10.641 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.974 3.346 12.368 1.00 0.00 H new ATOM 364 N ARG A 30 1.767 1.485 13.014 1.00 0.00 N ATOM 365 CA ARG A 30 1.121 1.160 14.280 1.00 0.00 C ATOM 366 C ARG A 30 2.022 0.277 15.139 1.00 0.00 C ATOM 367 O ARG A 30 1.842 0.182 16.353 1.00 0.00 O ATOM 368 CB ARG A 30 -0.214 0.455 14.031 1.00 0.00 C ATOM 369 CG ARG A 30 -1.268 0.758 15.083 1.00 0.00 C ATOM 370 CD ARG A 30 -2.564 1.240 14.450 1.00 0.00 C ATOM 371 NE ARG A 30 -3.737 0.641 15.081 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.973 0.775 14.612 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.195 1.483 13.513 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.989 0.200 15.242 1.00 0.00 N ATOM 0 H ARG A 30 1.630 0.790 12.280 1.00 0.00 H new ATOM 0 HA ARG A 30 0.937 2.092 14.815 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.594 0.750 13.053 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.046 -0.621 13.997 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.461 -0.137 15.674 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.892 1.518 15.768 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.624 2.325 14.529 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.561 0.998 13.387 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.600 0.090 15.928 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.416 1.926 13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.145 1.584 13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.822 -0.346 16.087 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.937 0.304 14.881 1.00 0.00 H new ATOM 388 N VAL A 31 2.992 -0.369 14.499 1.00 0.00 N ATOM 389 CA VAL A 31 3.921 -1.244 15.204 1.00 0.00 C ATOM 390 C VAL A 31 4.854 -0.444 16.105 1.00 0.00 C ATOM 391 O VAL A 31 4.713 -0.453 17.329 1.00 0.00 O ATOM 392 CB VAL A 31 4.765 -2.076 14.219 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.761 -2.945 14.972 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.867 -2.925 13.333 1.00 0.00 C ATOM 0 H VAL A 31 3.155 -0.303 13.494 1.00 0.00 H new ATOM 0 HA VAL A 31 3.320 -1.917 15.815 1.00 0.00 H new ATOM 0 HB VAL A 31 5.325 -1.393 13.580 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.348 -3.525 14.260 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.426 -2.311 15.559 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.224 -3.622 15.637 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.480 -3.506 12.644 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.278 -3.601 13.953 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.198 -2.278 12.766 1.00 0.00 H new ATOM 404 N CYS A 32 5.808 0.250 15.493 1.00 0.00 N ATOM 405 CA CYS A 32 6.765 1.058 16.239 1.00 0.00 C ATOM 406 C CYS A 32 6.151 2.395 16.644 1.00 0.00 C ATOM 407 O CYS A 32 6.567 3.009 17.625 1.00 0.00 O ATOM 408 CB CYS A 32 8.025 1.295 15.404 1.00 0.00 C ATOM 409 SG CYS A 32 7.788 2.448 14.014 1.00 0.00 S ATOM 0 H CYS A 32 5.939 0.269 14.482 1.00 0.00 H new ATOM 0 HA CYS A 32 7.034 0.513 17.144 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.811 1.681 16.053 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.375 0.339 15.014 1.00 0.00 H new ATOM 414 N GLY A 33 5.157 2.839 15.880 1.00 0.00 N ATOM 415 CA GLY A 33 4.501 4.099 16.175 1.00 0.00 C ATOM 416 C GLY A 33 5.231 5.286 15.577 1.00 0.00 C ATOM 417 O GLY A 33 5.299 6.353 16.187 1.00 0.00 O ATOM 0 H GLY A 33 4.795 2.348 15.062 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.481 4.073 15.792 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.432 4.225 17.255 1.00 0.00 H new ATOM 421 N GLY A 34 5.781 5.100 14.381 1.00 0.00 N ATOM 422 CA GLY A 34 6.504 6.172 13.722 1.00 0.00 C ATOM 423 C GLY A 34 5.689 6.833 12.627 1.00 0.00 C ATOM 424 O GLY A 34 4.845 6.195 11.999 1.00 0.00 O ATOM 0 H GLY A 34 5.739 4.226 13.857 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.790 6.921 14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.426 5.776 13.296 1.00 0.00 H new ATOM 428 N LYS A 35 5.942 8.118 12.398 1.00 0.00 N ATOM 429 CA LYS A 35 5.226 8.867 11.373 1.00 0.00 C ATOM 430 C LYS A 35 6.194 9.442 10.344 1.00 0.00 C ATOM 431 O LYS A 35 5.994 10.547 9.838 1.00 0.00 O ATOM 432 CB LYS A 35 4.414 9.996 12.011 1.00 0.00 C ATOM 433 CG LYS A 35 3.307 10.530 11.117 1.00 0.00 C ATOM 434 CD LYS A 35 2.455 11.560 11.839 1.00 0.00 C ATOM 435 CE LYS A 35 0.994 11.463 11.427 1.00 0.00 C ATOM 436 NZ LYS A 35 0.822 11.616 9.956 1.00 0.00 N ATOM 0 H LYS A 35 6.638 8.662 12.909 1.00 0.00 H new ATOM 0 HA LYS A 35 4.547 8.182 10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.976 9.636 12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.086 10.814 12.271 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.743 10.979 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.677 9.705 10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.541 11.414 12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.830 12.560 11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.591 10.500 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.419 12.233 11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.190 11.697 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.317 12.473 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.219 10.785 9.472 1.00 0.00 H new ATOM 450 N HIS A 36 7.243 8.685 10.038 1.00 0.00 N ATOM 451 CA HIS A 36 8.242 9.119 9.067 1.00 0.00 C ATOM 452 C HIS A 36 8.339 8.131 7.908 1.00 0.00 C ATOM 453 O HIS A 36 7.741 7.056 7.947 1.00 0.00 O ATOM 454 CB HIS A 36 9.607 9.270 9.740 1.00 0.00 C ATOM 455 CG HIS A 36 9.976 8.109 10.610 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.446 7.912 11.868 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.828 7.078 10.397 1.00 0.00 C ATOM 458 CE1 HIS A 36 9.957 6.812 12.392 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.798 6.287 11.519 1.00 0.00 N ATOM 0 H HIS A 36 7.423 7.769 10.448 1.00 0.00 H new ATOM 0 HA HIS A 36 7.932 10.086 8.671 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.370 9.395 8.972 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.608 10.179 10.341 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.421 6.909 9.510 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.726 6.411 13.368 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.338 5.432 11.656 1.00 0.00 H new ATOM 467 N GLU A 37 9.094 8.504 6.880 1.00 0.00 N ATOM 468 CA GLU A 37 9.267 7.650 5.711 1.00 0.00 C ATOM 469 C GLU A 37 7.916 7.240 5.133 1.00 0.00 C ATOM 470 O GLU A 37 7.531 6.070 5.159 1.00 0.00 O ATOM 471 CB GLU A 37 10.078 6.404 6.076 1.00 0.00 C ATOM 472 CG GLU A 37 11.561 6.676 6.262 1.00 0.00 C ATOM 473 CD GLU A 37 12.406 5.426 6.116 1.00 0.00 C ATOM 474 OE1 GLU A 37 12.634 4.993 4.967 1.00 0.00 O ATOM 475 OE2 GLU A 37 12.839 4.879 7.152 1.00 0.00 O ATOM 0 H GLU A 37 9.595 9.391 6.833 1.00 0.00 H new ATOM 0 HA GLU A 37 9.809 8.218 4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.678 5.977 6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.950 5.655 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.885 7.417 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.726 7.109 7.249 1.00 0.00 H new ATOM 482 N PRO A 38 7.178 8.224 4.598 1.00 0.00 N ATOM 483 CA PRO A 38 5.859 7.990 4.003 1.00 0.00 C ATOM 484 C PRO A 38 5.942 7.210 2.696 1.00 0.00 C ATOM 485 O PRO A 38 4.975 6.575 2.278 1.00 0.00 O ATOM 486 CB PRO A 38 5.329 9.404 3.749 1.00 0.00 C ATOM 487 CG PRO A 38 6.550 10.248 3.616 1.00 0.00 C ATOM 488 CD PRO A 38 7.575 9.640 4.533 1.00 0.00 C ATOM 0 HA PRO A 38 5.220 7.390 4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.721 9.442 2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.700 9.745 4.571 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.906 10.260 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.342 11.281 3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.585 9.756 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.560 10.107 5.518 1.00 0.00 H new ATOM 496 N ASN A 39 7.105 7.262 2.054 1.00 0.00 N ATOM 497 CA ASN A 39 7.315 6.559 0.794 1.00 0.00 C ATOM 498 C ASN A 39 7.468 5.059 1.026 1.00 0.00 C ATOM 499 O ASN A 39 7.084 4.248 0.184 1.00 0.00 O ATOM 500 CB ASN A 39 8.553 7.105 0.081 1.00 0.00 C ATOM 501 CG ASN A 39 9.831 6.835 0.852 1.00 0.00 C ATOM 502 OD1 ASN A 39 9.881 7.005 2.071 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.871 6.412 0.144 1.00 0.00 N ATOM 0 H ASN A 39 7.916 7.784 2.386 1.00 0.00 H new ATOM 0 HA ASN A 39 6.440 6.724 0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.627 6.654 -0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.440 8.179 -0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.757 6.214 0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.784 6.285 -0.864 1.00 0.00 H new ATOM 510 N MET A 40 8.031 4.698 2.174 1.00 0.00 N ATOM 511 CA MET A 40 8.234 3.295 2.518 1.00 0.00 C ATOM 512 C MET A 40 7.091 2.778 3.386 1.00 0.00 C ATOM 513 O MET A 40 7.265 1.835 4.158 1.00 0.00 O ATOM 514 CB MET A 40 9.566 3.114 3.248 1.00 0.00 C ATOM 515 CG MET A 40 10.770 3.558 2.433 1.00 0.00 C ATOM 516 SD MET A 40 11.702 2.169 1.758 1.00 0.00 S ATOM 517 CE MET A 40 12.799 1.802 3.125 1.00 0.00 C ATOM 0 H MET A 40 8.355 5.357 2.882 1.00 0.00 H new ATOM 0 HA MET A 40 8.254 2.719 1.593 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.540 3.679 4.180 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.685 2.064 3.515 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.435 4.197 1.616 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.427 4.160 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.442 0.962 2.861 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.414 2.675 3.342 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.210 1.545 4.005 1.00 0.00 H new ATOM 527 N GLN A 41 5.924 3.401 3.253 1.00 0.00 N ATOM 528 CA GLN A 41 4.754 3.002 4.027 1.00 0.00 C ATOM 529 C GLN A 41 3.753 2.254 3.153 1.00 0.00 C ATOM 530 O GLN A 41 3.378 2.723 2.078 1.00 0.00 O ATOM 531 CB GLN A 41 4.087 4.230 4.650 1.00 0.00 C ATOM 532 CG GLN A 41 4.555 4.523 6.067 1.00 0.00 C ATOM 533 CD GLN A 41 4.292 5.956 6.483 1.00 0.00 C ATOM 534 OE1 GLN A 41 5.196 6.659 6.936 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.049 6.399 6.331 1.00 0.00 N ATOM 0 H GLN A 41 5.764 4.183 2.618 1.00 0.00 H new ATOM 0 HA GLN A 41 5.085 2.334 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.287 5.099 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.007 4.083 4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.050 3.849 6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.623 4.317 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.331 5.782 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.813 7.356 6.594 1.00 0.00 H new ATOM 544 N LEU A 42 3.324 1.086 3.621 1.00 0.00 N ATOM 545 CA LEU A 42 2.366 0.271 2.882 1.00 0.00 C ATOM 546 C LEU A 42 0.956 0.455 3.433 1.00 0.00 C ATOM 547 O LEU A 42 0.726 0.323 4.636 1.00 0.00 O ATOM 548 CB LEU A 42 2.764 -1.204 2.949 1.00 0.00 C ATOM 549 CG LEU A 42 4.259 -1.503 2.829 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.543 -2.954 3.184 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.755 -1.188 1.425 1.00 0.00 C ATOM 0 H LEU A 42 3.625 0.683 4.508 1.00 0.00 H new ATOM 0 HA LEU A 42 2.375 0.596 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.407 -1.613 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.243 -1.737 2.154 1.00 0.00 H new ATOM 0 HG LEU A 42 4.795 -0.867 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.612 -3.148 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.225 -3.147 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.996 -3.608 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.821 -1.407 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.213 -1.798 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.587 -0.133 1.208 1.00 0.00 H new ATOM 563 N LEU A 43 0.015 0.758 2.546 1.00 0.00 N ATOM 564 CA LEU A 43 -1.375 0.958 2.942 1.00 0.00 C ATOM 565 C LEU A 43 -2.196 -0.305 2.705 1.00 0.00 C ATOM 566 O LEU A 43 -2.048 -0.971 1.680 1.00 0.00 O ATOM 567 CB LEU A 43 -1.983 2.129 2.168 1.00 0.00 C ATOM 568 CG LEU A 43 -2.506 3.292 3.012 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.748 2.876 3.785 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.426 3.789 3.963 1.00 0.00 C ATOM 0 H LEU A 43 0.189 0.871 1.547 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.394 1.186 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.230 2.515 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.804 1.749 1.560 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.777 4.108 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.105 3.717 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.526 2.569 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.504 2.043 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.816 4.617 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.124 2.978 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.564 4.128 3.389 1.00 0.00 H new ATOM 582 N CYS A 44 -3.064 -0.628 3.657 1.00 0.00 N ATOM 583 CA CYS A 44 -3.911 -1.810 3.552 1.00 0.00 C ATOM 584 C CYS A 44 -5.158 -1.513 2.725 1.00 0.00 C ATOM 585 O CYS A 44 -5.728 -0.425 2.810 1.00 0.00 O ATOM 586 CB CYS A 44 -4.313 -2.301 4.944 1.00 0.00 C ATOM 587 SG CYS A 44 -5.460 -3.716 4.931 1.00 0.00 S ATOM 0 H CYS A 44 -3.200 -0.087 4.511 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.341 -2.592 3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.414 -2.581 5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.775 -1.478 5.489 1.00 0.00 H new ATOM 592 N ASP A 45 -5.578 -2.489 1.927 1.00 0.00 N ATOM 593 CA ASP A 45 -6.759 -2.334 1.085 1.00 0.00 C ATOM 594 C ASP A 45 -8.003 -2.860 1.793 1.00 0.00 C ATOM 595 O ASP A 45 -8.837 -3.531 1.186 1.00 0.00 O ATOM 596 CB ASP A 45 -6.564 -3.066 -0.243 1.00 0.00 C ATOM 597 CG ASP A 45 -7.163 -2.311 -1.414 1.00 0.00 C ATOM 598 OD1 ASP A 45 -7.905 -1.337 -1.173 1.00 0.00 O ATOM 599 OD2 ASP A 45 -6.890 -2.696 -2.570 1.00 0.00 O ATOM 0 H ASP A 45 -5.118 -3.396 1.846 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.898 -1.271 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.499 -3.217 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.020 -4.054 -0.180 1.00 0.00 H new ATOM 604 N GLU A 46 -8.121 -2.551 3.081 1.00 0.00 N ATOM 605 CA GLU A 46 -9.263 -2.994 3.871 1.00 0.00 C ATOM 606 C GLU A 46 -9.531 -2.035 5.027 1.00 0.00 C ATOM 607 O GLU A 46 -10.604 -1.438 5.117 1.00 0.00 O ATOM 608 CB GLU A 46 -9.020 -4.405 4.411 1.00 0.00 C ATOM 609 CG GLU A 46 -10.265 -5.058 4.989 1.00 0.00 C ATOM 610 CD GLU A 46 -11.383 -5.185 3.972 1.00 0.00 C ATOM 611 OE1 GLU A 46 -12.081 -4.178 3.730 1.00 0.00 O ATOM 612 OE2 GLU A 46 -11.560 -6.290 3.419 1.00 0.00 O ATOM 0 H GLU A 46 -7.440 -1.996 3.599 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.138 -3.006 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.631 -5.031 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.251 -4.362 5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.009 -6.048 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.617 -4.473 5.839 1.00 0.00 H new ATOM 619 N CYS A 47 -8.548 -1.892 5.910 1.00 0.00 N ATOM 620 CA CYS A 47 -8.675 -1.007 7.061 1.00 0.00 C ATOM 621 C CYS A 47 -7.982 0.327 6.800 1.00 0.00 C ATOM 622 O CYS A 47 -8.188 1.298 7.528 1.00 0.00 O ATOM 623 CB CYS A 47 -8.082 -1.668 8.307 1.00 0.00 C ATOM 624 SG CYS A 47 -6.319 -2.099 8.152 1.00 0.00 S ATOM 0 H CYS A 47 -7.654 -2.379 5.850 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.736 -0.819 7.228 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.208 -0.996 9.156 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.648 -2.573 8.530 1.00 0.00 H new ATOM 629 N ASN A 48 -7.159 0.367 5.757 1.00 0.00 N ATOM 630 CA ASN A 48 -6.435 1.581 5.400 1.00 0.00 C ATOM 631 C ASN A 48 -5.462 1.979 6.506 1.00 0.00 C ATOM 632 O ASN A 48 -5.616 3.026 7.136 1.00 0.00 O ATOM 633 CB ASN A 48 -7.416 2.724 5.132 1.00 0.00 C ATOM 634 CG ASN A 48 -8.569 2.301 4.243 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.363 1.809 3.133 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.790 2.491 4.727 1.00 0.00 N ATOM 0 H ASN A 48 -6.977 -0.428 5.144 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.864 1.381 4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.808 3.092 6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.885 3.553 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.605 2.226 4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.914 2.902 5.652 1.00 0.00 H new ATOM 643 N VAL A 49 -4.461 1.137 6.737 1.00 0.00 N ATOM 644 CA VAL A 49 -3.461 1.401 7.766 1.00 0.00 C ATOM 645 C VAL A 49 -2.057 1.431 7.173 1.00 0.00 C ATOM 646 O VAL A 49 -1.691 0.569 6.375 1.00 0.00 O ATOM 647 CB VAL A 49 -3.512 0.342 8.883 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.102 -1.021 8.346 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.625 0.754 10.048 1.00 0.00 C ATOM 0 H VAL A 49 -4.320 0.266 6.226 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.694 2.378 8.190 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.538 0.270 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.144 -1.756 9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.782 -1.317 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.086 -0.968 7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.673 -0.006 10.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.596 0.856 9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.970 1.707 10.448 1.00 0.00 H new ATOM 659 N ALA A 50 -1.275 2.430 7.569 1.00 0.00 N ATOM 660 CA ALA A 50 0.090 2.572 7.079 1.00 0.00 C ATOM 661 C ALA A 50 1.069 1.786 7.945 1.00 0.00 C ATOM 662 O ALA A 50 1.124 1.972 9.161 1.00 0.00 O ATOM 663 CB ALA A 50 0.485 4.040 7.033 1.00 0.00 C ATOM 0 H ALA A 50 -1.564 3.153 8.228 1.00 0.00 H new ATOM 0 HA ALA A 50 0.131 2.165 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.507 4.130 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.189 4.578 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.421 4.466 8.034 1.00 0.00 H new ATOM 669 N TYR A 51 1.838 0.908 7.312 1.00 0.00 N ATOM 670 CA TYR A 51 2.813 0.091 8.026 1.00 0.00 C ATOM 671 C TYR A 51 4.166 0.118 7.322 1.00 0.00 C ATOM 672 O TYR A 51 4.244 0.024 6.097 1.00 0.00 O ATOM 673 CB TYR A 51 2.315 -1.350 8.142 1.00 0.00 C ATOM 674 CG TYR A 51 1.449 -1.595 9.357 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.974 -1.501 10.640 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.105 -1.921 9.222 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.187 -1.725 11.753 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.691 -2.145 10.330 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.145 -2.047 11.592 1.00 0.00 C ATOM 680 OH TYR A 51 -0.933 -2.269 12.698 1.00 0.00 O ATOM 0 H TYR A 51 1.806 0.743 6.306 1.00 0.00 H new ATOM 0 HA TYR A 51 2.935 0.508 9.026 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.749 -1.603 7.246 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.174 -2.021 8.177 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.016 -1.248 10.769 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.325 -2.001 8.235 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.612 -1.649 12.743 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.734 -2.395 10.208 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.845 -2.484 12.412 1.00 0.00 H new ATOM 690 N HIS A 52 5.232 0.247 8.107 1.00 0.00 N ATOM 691 CA HIS A 52 6.583 0.285 7.560 1.00 0.00 C ATOM 692 C HIS A 52 6.973 -1.071 6.980 1.00 0.00 C ATOM 693 O HIS A 52 6.361 -2.091 7.297 1.00 0.00 O ATOM 694 CB HIS A 52 7.582 0.696 8.642 1.00 0.00 C ATOM 695 CG HIS A 52 7.397 2.102 9.126 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.914 2.562 10.318 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.749 3.151 8.568 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.590 3.833 10.475 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.883 4.215 9.427 1.00 0.00 N ATOM 0 H HIS A 52 5.186 0.327 9.123 1.00 0.00 H new ATOM 0 HA HIS A 52 6.603 1.023 6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.490 0.014 9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.594 0.585 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.225 3.152 7.624 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.858 4.454 11.317 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.499 5.148 9.279 1.00 0.00 H new ATOM 707 N ILE A 53 7.994 -1.074 6.130 1.00 0.00 N ATOM 708 CA ILE A 53 8.465 -2.305 5.506 1.00 0.00 C ATOM 709 C ILE A 53 9.384 -3.079 6.444 1.00 0.00 C ATOM 710 O ILE A 53 9.676 -4.253 6.215 1.00 0.00 O ATOM 711 CB ILE A 53 9.215 -2.018 4.192 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.430 -1.126 4.456 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.282 -1.367 3.181 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.693 -1.609 3.778 1.00 0.00 C ATOM 0 H ILE A 53 8.511 -0.238 5.857 1.00 0.00 H new ATOM 0 HA ILE A 53 7.583 -2.906 5.287 1.00 0.00 H new ATOM 0 HB ILE A 53 9.566 -2.963 3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.209 -0.114 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.603 -1.070 5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.827 -1.170 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.446 -2.035 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.904 -0.428 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.513 -0.929 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.939 -2.609 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.539 -1.638 2.699 1.00 0.00 H new ATOM 726 N TYR A 54 9.836 -2.415 7.502 1.00 0.00 N ATOM 727 CA TYR A 54 10.723 -3.041 8.476 1.00 0.00 C ATOM 728 C TYR A 54 10.053 -3.132 9.844 1.00 0.00 C ATOM 729 O TYR A 54 10.724 -3.157 10.876 1.00 0.00 O ATOM 730 CB TYR A 54 12.030 -2.254 8.587 1.00 0.00 C ATOM 731 CG TYR A 54 11.829 -0.759 8.687 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.545 -0.156 9.906 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.925 0.051 7.562 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.360 1.210 10.001 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.744 1.418 7.648 1.00 0.00 C ATOM 736 CZ TYR A 54 11.461 1.992 8.870 1.00 0.00 C ATOM 737 OH TYR A 54 11.279 3.353 8.961 1.00 0.00 O ATOM 0 H TYR A 54 9.603 -1.443 7.707 1.00 0.00 H new ATOM 0 HA TYR A 54 10.943 -4.051 8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.578 -2.598 9.464 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.650 -2.472 7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.468 -0.765 10.794 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.145 -0.396 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.137 1.663 10.956 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.824 2.033 6.764 1.00 0.00 H new ATOM 0 HH TYR A 54 11.853 3.804 8.307 1.00 0.00 H new ATOM 747 N CYS A 55 8.725 -3.181 9.843 1.00 0.00 N ATOM 748 CA CYS A 55 7.962 -3.269 11.082 1.00 0.00 C ATOM 749 C CYS A 55 6.832 -4.287 10.954 1.00 0.00 C ATOM 750 O CYS A 55 5.866 -4.258 11.717 1.00 0.00 O ATOM 751 CB CYS A 55 7.390 -1.899 11.451 1.00 0.00 C ATOM 752 SG CYS A 55 8.648 -0.673 11.933 1.00 0.00 S ATOM 0 H CYS A 55 8.155 -3.161 8.997 1.00 0.00 H new ATOM 0 HA CYS A 55 8.636 -3.599 11.872 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.827 -1.512 10.602 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.684 -2.021 12.272 1.00 0.00 H new ATOM 757 N LEU A 56 6.961 -5.186 9.984 1.00 0.00 N ATOM 758 CA LEU A 56 5.951 -6.214 9.755 1.00 0.00 C ATOM 759 C LEU A 56 6.275 -7.480 10.542 1.00 0.00 C ATOM 760 O LEU A 56 7.257 -7.529 11.281 1.00 0.00 O ATOM 761 CB LEU A 56 5.854 -6.538 8.263 1.00 0.00 C ATOM 762 CG LEU A 56 5.055 -5.549 7.412 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.138 -5.924 5.941 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.606 -5.501 7.872 1.00 0.00 C ATOM 0 H LEU A 56 7.754 -5.224 9.344 1.00 0.00 H new ATOM 0 HA LEU A 56 4.991 -5.829 10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.864 -6.601 7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.405 -7.525 8.154 1.00 0.00 H new ATOM 0 HG LEU A 56 5.488 -4.557 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.564 -5.210 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.179 -5.907 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.730 -6.925 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.052 -4.793 7.256 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.161 -6.491 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.565 -5.185 8.914 1.00 0.00 H new ATOM 776 N ASN A 57 5.443 -8.503 10.375 1.00 0.00 N ATOM 777 CA ASN A 57 5.642 -9.771 11.068 1.00 0.00 C ATOM 778 C ASN A 57 5.143 -10.938 10.222 1.00 0.00 C ATOM 779 O ASN A 57 3.958 -11.275 10.222 1.00 0.00 O ATOM 780 CB ASN A 57 4.919 -9.757 12.416 1.00 0.00 C ATOM 781 CG ASN A 57 5.650 -10.563 13.473 1.00 0.00 C ATOM 782 OD1 ASN A 57 5.721 -11.789 13.395 1.00 0.00 O ATOM 783 ND2 ASN A 57 6.197 -9.874 14.468 1.00 0.00 N ATOM 0 H ASN A 57 4.625 -8.479 9.766 1.00 0.00 H new ATOM 0 HA ASN A 57 6.711 -9.900 11.238 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.813 -8.727 12.757 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.913 -10.157 12.290 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.701 -10.361 15.209 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.113 -8.858 14.491 1.00 0.00 H new ATOM 790 N PRO A 58 6.066 -11.571 9.483 1.00 0.00 N ATOM 791 CA PRO A 58 7.478 -11.178 9.475 1.00 0.00 C ATOM 792 C PRO A 58 7.703 -9.838 8.784 1.00 0.00 C ATOM 793 O PRO A 58 6.814 -9.293 8.129 1.00 0.00 O ATOM 794 CB PRO A 58 8.155 -12.305 8.689 1.00 0.00 C ATOM 795 CG PRO A 58 7.080 -12.858 7.819 1.00 0.00 C ATOM 796 CD PRO A 58 5.802 -12.718 8.599 1.00 0.00 C ATOM 0 HA PRO A 58 7.870 -11.047 10.483 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.989 -11.929 8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.556 -13.068 9.356 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.023 -12.314 6.876 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.275 -13.902 7.574 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.950 -12.533 7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.577 -13.620 9.168 1.00 0.00 H new ATOM 804 N PRO A 59 8.919 -9.292 8.931 1.00 0.00 N ATOM 805 CA PRO A 59 9.289 -8.008 8.328 1.00 0.00 C ATOM 806 C PRO A 59 9.404 -8.093 6.810 1.00 0.00 C ATOM 807 O PRO A 59 9.125 -9.134 6.213 1.00 0.00 O ATOM 808 CB PRO A 59 10.654 -7.703 8.951 1.00 0.00 C ATOM 809 CG PRO A 59 11.208 -9.036 9.319 1.00 0.00 C ATOM 810 CD PRO A 59 10.027 -9.886 9.698 1.00 0.00 C ATOM 0 HA PRO A 59 8.539 -7.239 8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.304 -7.185 8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.555 -7.060 9.826 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.753 -9.476 8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.910 -8.951 10.149 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.183 -10.932 9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.836 -9.853 10.771 1.00 0.00 H new ATOM 818 N LEU A 60 9.815 -6.993 6.190 1.00 0.00 N ATOM 819 CA LEU A 60 9.967 -6.943 4.739 1.00 0.00 C ATOM 820 C LEU A 60 11.301 -6.313 4.353 1.00 0.00 C ATOM 821 O LEU A 60 11.576 -5.161 4.690 1.00 0.00 O ATOM 822 CB LEU A 60 8.817 -6.153 4.113 1.00 0.00 C ATOM 823 CG LEU A 60 7.731 -6.980 3.424 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.627 -6.078 2.895 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.328 -7.811 2.298 1.00 0.00 C ATOM 0 H LEU A 60 10.049 -6.123 6.669 1.00 0.00 H new ATOM 0 HA LEU A 60 9.946 -7.965 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.348 -5.553 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.234 -5.459 3.384 1.00 0.00 H new ATOM 0 HG LEU A 60 7.297 -7.658 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.863 -6.685 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.180 -5.527 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.045 -5.375 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.541 -8.393 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.789 -7.151 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.082 -8.485 2.704 1.00 0.00 H new ATOM 837 N ASP A 61 12.126 -7.075 3.643 1.00 0.00 N ATOM 838 CA ASP A 61 13.430 -6.591 3.207 1.00 0.00 C ATOM 839 C ASP A 61 13.296 -5.273 2.450 1.00 0.00 C ATOM 840 O ASP A 61 14.213 -4.452 2.442 1.00 0.00 O ATOM 841 CB ASP A 61 14.117 -7.634 2.324 1.00 0.00 C ATOM 842 CG ASP A 61 15.017 -8.561 3.116 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.538 -9.146 4.110 1.00 0.00 O ATOM 844 OD2 ASP A 61 16.200 -8.702 2.742 1.00 0.00 O ATOM 0 H ASP A 61 11.914 -8.031 3.357 1.00 0.00 H new ATOM 0 HA ASP A 61 14.040 -6.419 4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.360 -8.223 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.705 -7.127 1.559 1.00 0.00 H new ATOM 849 N LYS A 62 12.147 -5.079 1.811 1.00 0.00 N ATOM 850 CA LYS A 62 11.890 -3.862 1.050 1.00 0.00 C ATOM 851 C LYS A 62 10.406 -3.723 0.729 1.00 0.00 C ATOM 852 O LYS A 62 9.575 -4.468 1.251 1.00 0.00 O ATOM 853 CB LYS A 62 12.705 -3.865 -0.245 1.00 0.00 C ATOM 854 CG LYS A 62 12.267 -4.929 -1.237 1.00 0.00 C ATOM 855 CD LYS A 62 13.300 -5.129 -2.333 1.00 0.00 C ATOM 856 CE LYS A 62 14.306 -6.206 -1.961 1.00 0.00 C ATOM 857 NZ LYS A 62 13.863 -7.557 -2.406 1.00 0.00 N ATOM 0 H LYS A 62 11.379 -5.750 1.805 1.00 0.00 H new ATOM 0 HA LYS A 62 12.192 -3.011 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.625 -2.886 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.757 -4.017 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.104 -5.871 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.314 -4.643 -1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.799 -5.403 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.822 -4.190 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.271 -5.973 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.452 -6.209 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.576 -8.263 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.955 -7.790 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.748 -7.562 -3.440 1.00 0.00 H new ATOM 871 N VAL A 63 10.078 -2.767 -0.134 1.00 0.00 N ATOM 872 CA VAL A 63 8.693 -2.533 -0.526 1.00 0.00 C ATOM 873 C VAL A 63 8.252 -3.521 -1.600 1.00 0.00 C ATOM 874 O VAL A 63 8.960 -3.774 -2.575 1.00 0.00 O ATOM 875 CB VAL A 63 8.493 -1.099 -1.051 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.040 -0.869 -1.437 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.944 -0.084 -0.012 1.00 0.00 C ATOM 0 H VAL A 63 10.752 -2.142 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 63 8.083 -2.674 0.366 1.00 0.00 H new ATOM 0 HB VAL A 63 9.106 -0.969 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.918 0.150 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.755 -1.574 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.404 -1.018 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.796 0.924 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.360 -0.212 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.000 -0.235 0.210 1.00 0.00 H new ATOM 887 N PRO A 64 7.053 -4.095 -1.419 1.00 0.00 N ATOM 888 CA PRO A 64 6.489 -5.064 -2.363 1.00 0.00 C ATOM 889 C PRO A 64 6.091 -4.421 -3.687 1.00 0.00 C ATOM 890 O PRO A 64 6.034 -3.197 -3.799 1.00 0.00 O ATOM 891 CB PRO A 64 5.253 -5.593 -1.632 1.00 0.00 C ATOM 892 CG PRO A 64 4.869 -4.499 -0.696 1.00 0.00 C ATOM 893 CD PRO A 64 6.155 -3.841 -0.280 1.00 0.00 C ATOM 0 HA PRO A 64 7.208 -5.839 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.447 -5.818 -2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.475 -6.514 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.204 -3.785 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.335 -4.894 0.168 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.021 -2.774 -0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.546 -4.270 0.643 1.00 0.00 H new ATOM 901 N GLU A 65 5.816 -5.254 -4.686 1.00 0.00 N ATOM 902 CA GLU A 65 5.423 -4.764 -6.002 1.00 0.00 C ATOM 903 C GLU A 65 4.387 -5.685 -6.639 1.00 0.00 C ATOM 904 O GLU A 65 4.270 -5.753 -7.862 1.00 0.00 O ATOM 905 CB GLU A 65 6.647 -4.648 -6.913 1.00 0.00 C ATOM 906 CG GLU A 65 7.670 -3.633 -6.432 1.00 0.00 C ATOM 907 CD GLU A 65 8.443 -2.998 -7.572 1.00 0.00 C ATOM 908 OE1 GLU A 65 7.988 -1.959 -8.092 1.00 0.00 O ATOM 909 OE2 GLU A 65 9.505 -3.542 -7.943 1.00 0.00 O ATOM 0 H GLU A 65 5.858 -6.270 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 65 4.977 -3.777 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.125 -5.624 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.319 -4.373 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.163 -2.854 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.368 -4.121 -5.752 1.00 0.00 H new ATOM 916 N GLU A 66 3.638 -6.394 -5.799 1.00 0.00 N ATOM 917 CA GLU A 66 2.613 -7.312 -6.280 1.00 0.00 C ATOM 918 C GLU A 66 1.306 -6.574 -6.555 1.00 0.00 C ATOM 919 O GLU A 66 1.264 -5.344 -6.549 1.00 0.00 O ATOM 920 CB GLU A 66 2.376 -8.427 -5.259 1.00 0.00 C ATOM 921 CG GLU A 66 3.653 -9.103 -4.788 1.00 0.00 C ATOM 922 CD GLU A 66 3.613 -10.609 -4.961 1.00 0.00 C ATOM 923 OE1 GLU A 66 3.260 -11.070 -6.067 1.00 0.00 O ATOM 924 OE2 GLU A 66 3.935 -11.327 -3.991 1.00 0.00 O ATOM 0 H GLU A 66 3.722 -6.350 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 66 2.965 -7.752 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.855 -8.013 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.719 -9.177 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.500 -8.699 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.819 -8.866 -3.737 1.00 0.00 H new ATOM 931 N GLU A 67 0.243 -7.334 -6.797 1.00 0.00 N ATOM 932 CA GLU A 67 -1.064 -6.752 -7.076 1.00 0.00 C ATOM 933 C GLU A 67 -1.451 -5.742 -6.000 1.00 0.00 C ATOM 934 O GLU A 67 -1.612 -4.553 -6.277 1.00 0.00 O ATOM 935 CB GLU A 67 -2.127 -7.849 -7.168 1.00 0.00 C ATOM 936 CG GLU A 67 -2.638 -8.085 -8.579 1.00 0.00 C ATOM 937 CD GLU A 67 -1.706 -8.956 -9.399 1.00 0.00 C ATOM 938 OE1 GLU A 67 -0.668 -8.439 -9.862 1.00 0.00 O ATOM 939 OE2 GLU A 67 -2.015 -10.152 -9.577 1.00 0.00 O ATOM 0 H GLU A 67 0.261 -8.354 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.005 -6.233 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.711 -8.779 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.967 -7.584 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.620 -8.555 -8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.767 -7.126 -9.080 1.00 0.00 H new ATOM 946 N TYR A 68 -1.599 -6.224 -4.771 1.00 0.00 N ATOM 947 CA TYR A 68 -1.970 -5.365 -3.652 1.00 0.00 C ATOM 948 C TYR A 68 -1.246 -5.788 -2.378 1.00 0.00 C ATOM 949 O TYR A 68 -0.583 -6.825 -2.342 1.00 0.00 O ATOM 950 CB TYR A 68 -3.483 -5.407 -3.430 1.00 0.00 C ATOM 951 CG TYR A 68 -4.219 -4.246 -4.061 1.00 0.00 C ATOM 952 CD1 TYR A 68 -3.979 -2.940 -3.651 1.00 0.00 C ATOM 953 CD2 TYR A 68 -5.156 -4.455 -5.066 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.650 -1.877 -4.224 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.830 -3.398 -5.645 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.574 -2.111 -5.221 1.00 0.00 C ATOM 957 OH TYR A 68 -6.245 -1.055 -5.794 1.00 0.00 O ATOM 0 H TYR A 68 -1.468 -7.205 -4.524 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.673 -4.345 -3.895 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.876 -6.339 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.685 -5.416 -2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.256 -2.753 -2.871 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.360 -5.462 -5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.452 -0.868 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.554 -3.578 -6.426 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.859 -1.391 -6.480 1.00 0.00 H new ATOM 967 N TRP A 69 -1.378 -4.977 -1.334 1.00 0.00 N ATOM 968 CA TRP A 69 -0.738 -5.266 -0.056 1.00 0.00 C ATOM 969 C TRP A 69 -1.737 -5.159 1.091 1.00 0.00 C ATOM 970 O TRP A 69 -2.361 -4.116 1.287 1.00 0.00 O ATOM 971 CB TRP A 69 0.432 -4.309 0.180 1.00 0.00 C ATOM 972 CG TRP A 69 1.156 -4.562 1.467 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.263 -5.341 1.646 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.822 -4.035 2.756 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.638 -5.331 2.968 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.770 -4.536 3.669 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.184 -3.187 3.227 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.739 -4.216 5.024 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.214 -2.871 4.572 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.743 -3.384 5.458 1.00 0.00 C ATOM 0 H TRP A 69 -1.922 -4.114 -1.348 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.361 -6.288 -0.090 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.136 -4.396 -0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.060 -3.284 0.176 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.770 -5.885 0.863 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.433 -5.834 3.363 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.925 -2.786 2.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.475 -4.611 5.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.988 -2.218 4.947 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.693 -3.118 6.503 1.00 0.00 H new ATOM 991 N TYR A 70 -1.885 -6.243 1.844 1.00 0.00 N ATOM 992 CA TYR A 70 -2.811 -6.271 2.970 1.00 0.00 C ATOM 993 C TYR A 70 -2.062 -6.450 4.287 1.00 0.00 C ATOM 994 O TYR A 70 -1.280 -7.387 4.448 1.00 0.00 O ATOM 995 CB TYR A 70 -3.830 -7.398 2.792 1.00 0.00 C ATOM 996 CG TYR A 70 -4.854 -7.124 1.714 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.575 -7.394 0.380 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.099 -6.595 2.029 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.508 -7.145 -0.609 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.038 -6.344 1.047 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.737 -6.620 -0.270 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.669 -6.370 -1.251 1.00 0.00 O ATOM 0 H TYR A 70 -1.376 -7.114 1.695 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.337 -5.317 2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.301 -8.320 2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.346 -7.563 3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.613 -7.805 0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.337 -6.376 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.276 -7.360 -1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.002 -5.934 1.309 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.481 -6.002 -0.844 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.308 -5.545 5.228 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.659 -5.601 6.532 1.00 0.00 C ATOM 1014 C CYS A 71 -1.815 -6.983 7.159 1.00 0.00 C ATOM 1015 O CYS A 71 -2.746 -7.729 6.854 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.245 -4.538 7.463 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.892 -4.954 8.123 1.00 0.00 S ATOM 0 H CYS A 71 -2.953 -4.763 5.112 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.597 -5.404 6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.560 -4.383 8.296 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.310 -3.593 6.923 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.882 -7.335 8.056 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.894 -8.628 8.746 1.00 0.00 C ATOM 1024 C PRO A 72 -2.040 -8.742 9.745 1.00 0.00 C ATOM 1025 O PRO A 72 -2.304 -9.818 10.282 1.00 0.00 O ATOM 1026 CB PRO A 72 0.453 -8.657 9.471 1.00 0.00 C ATOM 1027 CG PRO A 72 0.811 -7.223 9.661 1.00 0.00 C ATOM 1028 CD PRO A 72 0.256 -6.496 8.468 1.00 0.00 C ATOM 0 HA PRO A 72 -1.038 -9.457 8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.377 -9.176 10.426 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.208 -9.179 8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.387 -6.834 10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.892 -7.096 9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.062 -5.486 8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.996 -6.404 7.673 1.00 0.00 H new ATOM 1036 N SER A 73 -2.717 -7.625 9.991 1.00 0.00 N ATOM 1037 CA SER A 73 -3.833 -7.598 10.930 1.00 0.00 C ATOM 1038 C SER A 73 -5.139 -7.963 10.231 1.00 0.00 C ATOM 1039 O SER A 73 -6.135 -8.286 10.880 1.00 0.00 O ATOM 1040 CB SER A 73 -3.954 -6.215 11.573 1.00 0.00 C ATOM 1041 OG SER A 73 -4.392 -6.314 12.917 1.00 0.00 O ATOM 0 H SER A 73 -2.512 -6.727 9.553 1.00 0.00 H new ATOM 0 HA SER A 73 -3.639 -8.336 11.708 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.989 -5.709 11.538 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.655 -5.605 11.003 1.00 0.00 H new ATOM 0 HG SER A 73 -4.460 -5.417 13.306 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.128 -7.910 8.904 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.310 -8.233 8.115 1.00 0.00 C ATOM 1049 C CYS A 74 -6.180 -9.615 7.481 1.00 0.00 C ATOM 1050 O CYS A 74 -7.075 -10.452 7.599 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.527 -7.179 7.027 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.415 -5.694 7.596 1.00 0.00 S ATOM 0 H CYS A 74 -4.312 -7.646 8.352 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.171 -8.238 8.783 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.558 -6.879 6.628 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.084 -7.630 6.206 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.058 -9.848 6.808 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.807 -11.128 6.156 1.00 0.00 C ATOM 1059 C LYS A 75 -5.021 -12.284 7.128 1.00 0.00 C ATOM 1060 O LYS A 75 -4.227 -12.494 8.045 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.381 -11.171 5.602 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.966 -12.542 5.097 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.804 -12.449 4.123 1.00 0.00 C ATOM 1064 CE LYS A 75 -2.116 -13.156 2.813 1.00 0.00 C ATOM 1065 NZ LYS A 75 -0.879 -13.599 2.113 1.00 0.00 N ATOM 0 H LYS A 75 -4.307 -9.166 6.700 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.513 -11.233 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.295 -10.452 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.688 -10.855 6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.685 -13.172 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.814 -13.023 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.576 -11.401 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.915 -12.890 4.573 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.751 -14.020 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.680 -12.486 2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.135 -14.076 1.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.284 -12.772 1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.353 -14.258 2.721 1.00 0.00 H new ATOM 1079 N THR A 76 -6.099 -13.034 6.920 1.00 0.00 N ATOM 1080 CA THR A 76 -6.417 -14.169 7.777 1.00 0.00 C ATOM 1081 C THR A 76 -6.449 -15.468 6.979 1.00 0.00 C ATOM 1082 O THR A 76 -7.226 -16.374 7.281 1.00 0.00 O ATOM 1083 CB THR A 76 -7.775 -13.979 8.480 1.00 0.00 C ATOM 1084 OG1 THR A 76 -7.984 -15.027 9.433 1.00 0.00 O ATOM 1085 CG2 THR A 76 -8.911 -13.971 7.469 1.00 0.00 C ATOM 0 H THR A 76 -6.766 -12.875 6.165 1.00 0.00 H new ATOM 0 HA THR A 76 -5.631 -14.227 8.530 1.00 0.00 H new ATOM 0 HB THR A 76 -7.762 -13.018 8.995 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.776 -15.891 9.020 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.860 -13.836 7.989 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.764 -13.154 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.925 -14.918 6.930 1.00 0.00 H new ATOM 1093 N ASP A 77 -5.599 -15.552 5.961 1.00 0.00 N ATOM 1094 CA ASP A 77 -5.528 -16.742 5.121 1.00 0.00 C ATOM 1095 C ASP A 77 -4.087 -17.222 4.979 1.00 0.00 C ATOM 1096 O ASP A 77 -3.214 -16.418 4.658 1.00 0.00 O ATOM 1097 CB ASP A 77 -6.122 -16.454 3.741 1.00 0.00 C ATOM 1098 CG ASP A 77 -7.595 -16.104 3.806 1.00 0.00 C ATOM 1099 OD1 ASP A 77 -7.924 -15.018 4.326 1.00 0.00 O ATOM 1100 OD2 ASP A 77 -8.420 -16.918 3.338 1.00 0.00 O ATOM 0 H ASP A 77 -4.950 -14.810 5.698 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.108 -17.530 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.576 -15.632 3.278 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.987 -17.326 3.101 1.00 0.00 H new TER 1105 ASP A 77 HETATM 1106 ZN ZN A 201 7.531 1.382 11.962 1.00 0.00 ZN HETATM 1107 ZN ZN A 401 -5.738 -4.072 7.221 1.00 0.00 ZN HETATM 1108 ZN ZN A 601 -4.694 9.704 12.443 1.00 0.00 ZN