USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0944 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00353 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 24:sc= 0.0105 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.12) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc=0.000372 K(o=0.00037,f=-4.6!) USER MOD Single : A 57 THR OG1 : rot -87:sc= -0.326 USER MOD Single : A 58 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-7!) USER MOD Single : A 62 SER OG : rot -167:sc= -4.39! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.261 K(o=-0.26,f=-0.81) USER MOD Single : A 68 SER OG : rot 180:sc= -0.26 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= -2.12! (180deg=-3.35!) USER MOD Single : A 74 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.0028) USER MOD Single : A 80 SER OG : rot 180:sc=-0.000255 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -52.532 -7.781 13.375 1.00 0.00 N ATOM 2 CA GLY A 1 -51.616 -7.204 12.408 1.00 0.00 C ATOM 3 C GLY A 1 -50.543 -6.356 13.062 1.00 0.00 C ATOM 4 O GLY A 1 -50.484 -6.253 14.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -52.437 -8.817 13.368 1.00 0.00 H new ATOM 0 H2 GLY A 1 -52.308 -7.419 14.324 1.00 0.00 H new ATOM 0 H3 GLY A 1 -53.508 -7.521 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -51.145 -8.003 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -52.177 -6.593 11.700 1.00 0.00 H new ATOM 8 N SER A 2 -49.692 -5.747 12.243 1.00 0.00 N ATOM 9 CA SER A 2 -48.611 -4.908 12.748 1.00 0.00 C ATOM 10 C SER A 2 -48.227 -3.843 11.726 1.00 0.00 C ATOM 11 O SER A 2 -48.754 -3.815 10.614 1.00 0.00 O ATOM 12 CB SER A 2 -47.391 -5.764 13.094 1.00 0.00 C ATOM 13 OG SER A 2 -46.502 -5.064 13.946 1.00 0.00 O ATOM 0 H SER A 2 -49.730 -5.819 11.226 1.00 0.00 H new ATOM 0 HA SER A 2 -48.963 -4.409 13.651 1.00 0.00 H new ATOM 0 HB2 SER A 2 -47.715 -6.685 13.579 1.00 0.00 H new ATOM 0 HB3 SER A 2 -46.873 -6.051 12.179 1.00 0.00 H new ATOM 0 HG SER A 2 -45.732 -5.633 14.154 1.00 0.00 H new ATOM 19 N SER A 3 -47.304 -2.968 12.112 1.00 0.00 N ATOM 20 CA SER A 3 -46.851 -1.897 11.231 1.00 0.00 C ATOM 21 C SER A 3 -45.412 -2.137 10.782 1.00 0.00 C ATOM 22 O SER A 3 -44.738 -3.039 11.275 1.00 0.00 O ATOM 23 CB SER A 3 -46.957 -0.546 11.940 1.00 0.00 C ATOM 24 OG SER A 3 -48.258 -0.001 11.806 1.00 0.00 O ATOM 0 H SER A 3 -46.855 -2.979 13.028 1.00 0.00 H new ATOM 0 HA SER A 3 -47.492 -1.888 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 3 -46.717 -0.666 12.996 1.00 0.00 H new ATOM 0 HB3 SER A 3 -46.225 0.146 11.523 1.00 0.00 H new ATOM 0 HG SER A 3 -48.301 0.862 12.269 1.00 0.00 H new ATOM 30 N GLY A 4 -44.950 -1.320 9.840 1.00 0.00 N ATOM 31 CA GLY A 4 -43.595 -1.458 9.338 1.00 0.00 C ATOM 32 C GLY A 4 -42.610 -0.573 10.077 1.00 0.00 C ATOM 33 O GLY A 4 -42.808 -0.257 11.250 1.00 0.00 O ATOM 0 H GLY A 4 -45.490 -0.565 9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -43.282 -2.498 9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -43.577 -1.210 8.277 1.00 0.00 H new ATOM 37 N SER A 5 -41.545 -0.174 9.389 1.00 0.00 N ATOM 38 CA SER A 5 -40.522 0.675 9.989 1.00 0.00 C ATOM 39 C SER A 5 -39.986 1.679 8.973 1.00 0.00 C ATOM 40 O SER A 5 -40.137 1.498 7.765 1.00 0.00 O ATOM 41 CB SER A 5 -39.376 -0.179 10.534 1.00 0.00 C ATOM 42 OG SER A 5 -39.645 -0.611 11.856 1.00 0.00 O ATOM 0 H SER A 5 -41.368 -0.425 8.416 1.00 0.00 H new ATOM 0 HA SER A 5 -40.978 1.226 10.812 1.00 0.00 H new ATOM 0 HB2 SER A 5 -39.225 -1.045 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 -38.450 0.396 10.517 1.00 0.00 H new ATOM 0 HG SER A 5 -40.613 -0.615 12.008 1.00 0.00 H new ATOM 48 N SER A 6 -39.358 2.739 9.473 1.00 0.00 N ATOM 49 CA SER A 6 -38.802 3.775 8.611 1.00 0.00 C ATOM 50 C SER A 6 -37.299 3.584 8.432 1.00 0.00 C ATOM 51 O SER A 6 -36.683 2.756 9.102 1.00 0.00 O ATOM 52 CB SER A 6 -39.085 5.161 9.195 1.00 0.00 C ATOM 53 OG SER A 6 -38.529 5.291 10.492 1.00 0.00 O ATOM 0 H SER A 6 -39.222 2.902 10.471 1.00 0.00 H new ATOM 0 HA SER A 6 -39.280 3.695 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 6 -38.670 5.927 8.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 -40.161 5.328 9.239 1.00 0.00 H new ATOM 0 HG SER A 6 -38.722 6.186 10.842 1.00 0.00 H new ATOM 59 N GLY A 7 -36.714 4.357 7.522 1.00 0.00 N ATOM 60 CA GLY A 7 -35.289 4.258 7.270 1.00 0.00 C ATOM 61 C GLY A 7 -34.467 5.050 8.268 1.00 0.00 C ATOM 62 O GLY A 7 -35.004 5.583 9.238 1.00 0.00 O ATOM 0 H GLY A 7 -37.202 5.050 6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.989 3.211 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -35.076 4.616 6.263 1.00 0.00 H new ATOM 66 N GLU A 8 -33.161 5.125 8.030 1.00 0.00 N ATOM 67 CA GLU A 8 -32.265 5.856 8.917 1.00 0.00 C ATOM 68 C GLU A 8 -31.120 6.490 8.133 1.00 0.00 C ATOM 69 O GLU A 8 -30.977 6.266 6.930 1.00 0.00 O ATOM 70 CB GLU A 8 -31.705 4.923 9.993 1.00 0.00 C ATOM 71 CG GLU A 8 -32.774 4.296 10.871 1.00 0.00 C ATOM 72 CD GLU A 8 -33.450 3.110 10.210 1.00 0.00 C ATOM 73 OE1 GLU A 8 -32.842 2.515 9.296 1.00 0.00 O ATOM 74 OE2 GLU A 8 -34.586 2.777 10.607 1.00 0.00 O ATOM 0 H GLU A 8 -32.701 4.689 7.231 1.00 0.00 H new ATOM 0 HA GLU A 8 -32.838 6.650 9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -31.131 4.131 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -31.012 5.482 10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -32.325 3.976 11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -33.525 5.047 11.116 1.00 0.00 H new ATOM 81 N LEU A 9 -30.307 7.284 8.821 1.00 0.00 N ATOM 82 CA LEU A 9 -29.174 7.952 8.190 1.00 0.00 C ATOM 83 C LEU A 9 -28.284 6.948 7.466 1.00 0.00 C ATOM 84 O LEU A 9 -28.482 5.738 7.574 1.00 0.00 O ATOM 85 CB LEU A 9 -28.358 8.714 9.236 1.00 0.00 C ATOM 86 CG LEU A 9 -27.873 7.896 10.434 1.00 0.00 C ATOM 87 CD1 LEU A 9 -26.664 7.056 10.051 1.00 0.00 C ATOM 88 CD2 LEU A 9 -27.541 8.810 11.604 1.00 0.00 C ATOM 0 H LEU A 9 -30.411 7.481 9.816 1.00 0.00 H new ATOM 0 HA LEU A 9 -29.563 8.659 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -27.489 9.150 8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -28.962 9.542 9.607 1.00 0.00 H new ATOM 0 HG LEU A 9 -28.675 7.224 10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -26.332 6.481 10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -26.935 6.375 9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.857 7.710 9.719 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -27.198 8.211 12.448 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -26.756 9.507 11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -28.431 9.368 11.894 1.00 0.00 H new ATOM 100 N GLU A 10 -27.301 7.458 6.731 1.00 0.00 N ATOM 101 CA GLU A 10 -26.379 6.604 5.991 1.00 0.00 C ATOM 102 C GLU A 10 -25.377 5.941 6.932 1.00 0.00 C ATOM 103 O GLU A 10 -24.742 6.592 7.762 1.00 0.00 O ATOM 104 CB GLU A 10 -25.637 7.417 4.928 1.00 0.00 C ATOM 105 CG GLU A 10 -26.450 7.659 3.668 1.00 0.00 C ATOM 106 CD GLU A 10 -27.318 8.899 3.762 1.00 0.00 C ATOM 107 OE1 GLU A 10 -28.184 8.951 4.660 1.00 0.00 O ATOM 108 OE2 GLU A 10 -27.129 9.818 2.938 1.00 0.00 O ATOM 0 H GLU A 10 -27.123 8.457 6.632 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.961 5.824 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.348 8.378 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.717 6.897 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -25.775 7.756 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.082 6.792 3.476 1.00 0.00 H new ATOM 115 N PRO A 11 -25.231 4.614 6.800 1.00 0.00 N ATOM 116 CA PRO A 11 -24.309 3.833 7.630 1.00 0.00 C ATOM 117 C PRO A 11 -22.848 4.125 7.304 1.00 0.00 C ATOM 118 O PRO A 11 -22.029 4.319 8.201 1.00 0.00 O ATOM 119 CB PRO A 11 -24.656 2.384 7.279 1.00 0.00 C ATOM 120 CG PRO A 11 -25.238 2.455 5.909 1.00 0.00 C ATOM 121 CD PRO A 11 -25.956 3.774 5.832 1.00 0.00 C ATOM 0 HA PRO A 11 -24.416 4.066 8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.771 1.749 7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -25.367 1.964 7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -24.458 2.390 5.150 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.924 1.626 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -25.917 4.194 4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -27.009 3.674 6.096 1.00 0.00 H new ATOM 129 N GLY A 12 -22.529 4.153 6.013 1.00 0.00 N ATOM 130 CA GLY A 12 -21.166 4.422 5.592 1.00 0.00 C ATOM 131 C GLY A 12 -20.815 5.895 5.670 1.00 0.00 C ATOM 132 O GLY A 12 -20.337 6.477 4.697 1.00 0.00 O ATOM 0 H GLY A 12 -23.189 3.994 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.477 3.854 6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.030 4.073 4.569 1.00 0.00 H new ATOM 136 N ALA A 13 -21.054 6.498 6.829 1.00 0.00 N ATOM 137 CA ALA A 13 -20.760 7.912 7.030 1.00 0.00 C ATOM 138 C ALA A 13 -19.359 8.105 7.600 1.00 0.00 C ATOM 139 O ALA A 13 -19.146 8.936 8.483 1.00 0.00 O ATOM 140 CB ALA A 13 -21.797 8.541 7.948 1.00 0.00 C ATOM 0 H ALA A 13 -21.451 6.030 7.644 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.801 8.408 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -21.565 9.597 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -22.786 8.443 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.784 8.034 8.913 1.00 0.00 H new ATOM 146 N PHE A 14 -18.406 7.332 7.089 1.00 0.00 N ATOM 147 CA PHE A 14 -17.024 7.418 7.549 1.00 0.00 C ATOM 148 C PHE A 14 -16.257 8.482 6.770 1.00 0.00 C ATOM 149 O PHE A 14 -16.760 9.035 5.792 1.00 0.00 O ATOM 150 CB PHE A 14 -16.331 6.062 7.401 1.00 0.00 C ATOM 151 CG PHE A 14 -17.147 4.912 7.918 1.00 0.00 C ATOM 152 CD1 PHE A 14 -17.345 4.742 9.279 1.00 0.00 C ATOM 153 CD2 PHE A 14 -17.717 4.001 7.043 1.00 0.00 C ATOM 154 CE1 PHE A 14 -18.094 3.684 9.757 1.00 0.00 C ATOM 155 CE2 PHE A 14 -18.468 2.941 7.515 1.00 0.00 C ATOM 156 CZ PHE A 14 -18.658 2.783 8.874 1.00 0.00 C ATOM 0 H PHE A 14 -18.565 6.640 6.357 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.034 7.701 8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -16.104 5.892 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -15.379 6.089 7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.909 5.444 9.974 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -17.573 4.121 5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -18.239 3.561 10.820 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -18.906 2.237 6.822 1.00 0.00 H new ATOM 0 HZ PHE A 14 -19.246 1.957 9.246 1.00 0.00 H new ATOM 166 N SER A 15 -15.035 8.764 7.211 1.00 0.00 N ATOM 167 CA SER A 15 -14.199 9.764 6.559 1.00 0.00 C ATOM 168 C SER A 15 -14.009 9.435 5.081 1.00 0.00 C ATOM 169 O SER A 15 -14.120 8.279 4.674 1.00 0.00 O ATOM 170 CB SER A 15 -12.838 9.852 7.252 1.00 0.00 C ATOM 171 OG SER A 15 -12.153 11.037 6.883 1.00 0.00 O ATOM 0 H SER A 15 -14.602 8.314 8.017 1.00 0.00 H new ATOM 0 HA SER A 15 -14.702 10.728 6.637 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.975 9.829 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.235 8.983 6.988 1.00 0.00 H new ATOM 0 HG SER A 15 -11.287 11.070 7.341 1.00 0.00 H new ATOM 177 N GLU A 16 -13.723 10.460 4.285 1.00 0.00 N ATOM 178 CA GLU A 16 -13.519 10.279 2.852 1.00 0.00 C ATOM 179 C GLU A 16 -12.477 11.261 2.323 1.00 0.00 C ATOM 180 O GLU A 16 -12.140 12.243 2.985 1.00 0.00 O ATOM 181 CB GLU A 16 -14.838 10.463 2.099 1.00 0.00 C ATOM 182 CG GLU A 16 -15.366 11.888 2.135 1.00 0.00 C ATOM 183 CD GLU A 16 -16.833 11.976 1.761 1.00 0.00 C ATOM 184 OE1 GLU A 16 -17.194 11.505 0.662 1.00 0.00 O ATOM 185 OE2 GLU A 16 -17.619 12.516 2.567 1.00 0.00 O ATOM 0 H GLU A 16 -13.627 11.423 4.607 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.154 9.265 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.699 10.162 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.587 9.796 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.224 12.299 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.783 12.505 1.451 1.00 0.00 H new ATOM 192 N LEU A 17 -11.971 10.988 1.125 1.00 0.00 N ATOM 193 CA LEU A 17 -10.967 11.846 0.506 1.00 0.00 C ATOM 194 C LEU A 17 -11.602 13.122 -0.038 1.00 0.00 C ATOM 195 O LEU A 17 -12.761 13.122 -0.454 1.00 0.00 O ATOM 196 CB LEU A 17 -10.253 11.098 -0.621 1.00 0.00 C ATOM 197 CG LEU A 17 -11.136 10.623 -1.776 1.00 0.00 C ATOM 198 CD1 LEU A 17 -11.359 11.747 -2.775 1.00 0.00 C ATOM 199 CD2 LEU A 17 -10.514 9.414 -2.460 1.00 0.00 C ATOM 0 H LEU A 17 -12.239 10.180 0.564 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.239 12.121 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.477 11.747 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.751 10.230 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.104 10.328 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.989 11.390 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.848 12.584 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.399 12.074 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.156 9.089 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.533 9.682 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.407 8.603 -1.739 1.00 0.00 H new ATOM 211 N TYR A 18 -10.835 14.207 -0.034 1.00 0.00 N ATOM 212 CA TYR A 18 -11.322 15.489 -0.527 1.00 0.00 C ATOM 213 C TYR A 18 -11.002 15.661 -2.009 1.00 0.00 C ATOM 214 O TYR A 18 -11.902 15.708 -2.847 1.00 0.00 O ATOM 215 CB TYR A 18 -10.704 16.636 0.275 1.00 0.00 C ATOM 216 CG TYR A 18 -11.451 16.953 1.551 1.00 0.00 C ATOM 217 CD1 TYR A 18 -11.700 15.965 2.497 1.00 0.00 C ATOM 218 CD2 TYR A 18 -11.908 18.239 1.811 1.00 0.00 C ATOM 219 CE1 TYR A 18 -12.382 16.250 3.664 1.00 0.00 C ATOM 220 CE2 TYR A 18 -12.590 18.532 2.976 1.00 0.00 C ATOM 221 CZ TYR A 18 -12.825 17.535 3.899 1.00 0.00 C ATOM 222 OH TYR A 18 -13.505 17.823 5.060 1.00 0.00 O ATOM 0 H TYR A 18 -9.873 14.224 0.305 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.405 15.509 -0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.673 16.382 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.672 17.529 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.354 14.958 2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.727 19.023 1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.567 15.471 4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.938 19.537 3.163 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.746 18.773 5.071 1.00 0.00 H new ATOM 232 N GLN A 19 -9.714 15.752 -2.323 1.00 0.00 N ATOM 233 CA GLN A 19 -9.274 15.918 -3.703 1.00 0.00 C ATOM 234 C GLN A 19 -8.155 14.939 -4.039 1.00 0.00 C ATOM 235 O GLN A 19 -8.265 14.155 -4.982 1.00 0.00 O ATOM 236 CB GLN A 19 -8.801 17.353 -3.941 1.00 0.00 C ATOM 237 CG GLN A 19 -9.882 18.397 -3.706 1.00 0.00 C ATOM 238 CD GLN A 19 -9.572 19.719 -4.380 1.00 0.00 C ATOM 239 OE1 GLN A 19 -9.167 20.681 -3.727 1.00 0.00 O ATOM 240 NE2 GLN A 19 -9.761 19.774 -5.693 1.00 0.00 N ATOM 0 H GLN A 19 -8.957 15.714 -1.641 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.122 15.710 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.957 17.562 -3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.438 17.442 -4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.834 18.019 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.999 18.558 -2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.098 18.952 -6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.569 20.638 -6.200 1.00 0.00 H new ATOM 249 N ARG A 20 -7.077 14.990 -3.263 1.00 0.00 N ATOM 250 CA ARG A 20 -5.936 14.109 -3.480 1.00 0.00 C ATOM 251 C ARG A 20 -5.776 13.132 -2.318 1.00 0.00 C ATOM 252 O ARG A 20 -5.949 13.500 -1.156 1.00 0.00 O ATOM 253 CB ARG A 20 -4.656 14.929 -3.651 1.00 0.00 C ATOM 254 CG ARG A 20 -4.296 15.758 -2.429 1.00 0.00 C ATOM 255 CD ARG A 20 -4.919 17.143 -2.492 1.00 0.00 C ATOM 256 NE ARG A 20 -4.101 18.143 -1.810 1.00 0.00 N ATOM 257 CZ ARG A 20 -3.062 18.750 -2.372 1.00 0.00 C ATOM 258 NH1 ARG A 20 -2.716 18.462 -3.619 1.00 0.00 N ATOM 259 NH2 ARG A 20 -2.367 19.649 -1.687 1.00 0.00 N ATOM 0 H ARG A 20 -6.970 15.633 -2.478 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.117 13.538 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.830 14.255 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.771 15.592 -4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.635 15.246 -1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.212 15.848 -2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.052 17.433 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.910 17.116 -2.039 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.341 18.388 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.248 17.772 -4.150 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.918 18.930 -4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.631 19.875 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.569 20.115 -2.120 1.00 0.00 H new ATOM 273 N TYR A 21 -5.444 11.887 -2.641 1.00 0.00 N ATOM 274 CA TYR A 21 -5.263 10.857 -1.626 1.00 0.00 C ATOM 275 C TYR A 21 -3.820 10.362 -1.603 1.00 0.00 C ATOM 276 O TYR A 21 -3.388 9.635 -2.498 1.00 0.00 O ATOM 277 CB TYR A 21 -6.212 9.685 -1.883 1.00 0.00 C ATOM 278 CG TYR A 21 -6.152 8.612 -0.820 1.00 0.00 C ATOM 279 CD1 TYR A 21 -5.040 7.787 -0.699 1.00 0.00 C ATOM 280 CD2 TYR A 21 -7.206 8.423 0.065 1.00 0.00 C ATOM 281 CE1 TYR A 21 -4.981 6.805 0.270 1.00 0.00 C ATOM 282 CE2 TYR A 21 -7.155 7.444 1.039 1.00 0.00 C ATOM 283 CZ TYR A 21 -6.041 6.638 1.137 1.00 0.00 C ATOM 284 OH TYR A 21 -5.985 5.661 2.105 1.00 0.00 O ATOM 0 H TYR A 21 -5.295 11.567 -3.598 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.493 11.296 -0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.232 10.063 -1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.974 9.241 -2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.207 7.916 -1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.081 9.052 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.110 6.171 0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.983 7.311 1.719 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.810 5.676 2.633 1.00 0.00 H new ATOM 294 N ARG A 22 -3.081 10.760 -0.573 1.00 0.00 N ATOM 295 CA ARG A 22 -1.687 10.359 -0.433 1.00 0.00 C ATOM 296 C ARG A 22 -1.395 9.894 0.991 1.00 0.00 C ATOM 297 O ARG A 22 -0.836 10.638 1.796 1.00 0.00 O ATOM 298 CB ARG A 22 -0.760 11.519 -0.801 1.00 0.00 C ATOM 299 CG ARG A 22 -1.062 12.803 -0.046 1.00 0.00 C ATOM 300 CD ARG A 22 -0.384 14.002 -0.692 1.00 0.00 C ATOM 301 NE ARG A 22 -1.062 14.419 -1.917 1.00 0.00 N ATOM 302 CZ ARG A 22 -0.459 15.072 -2.904 1.00 0.00 C ATOM 303 NH1 ARG A 22 0.827 15.381 -2.811 1.00 0.00 N ATOM 304 NH2 ARG A 22 -1.143 15.418 -3.987 1.00 0.00 N ATOM 0 H ARG A 22 -3.425 11.360 0.177 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.505 9.527 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.271 11.226 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.838 11.710 -1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.140 12.965 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.727 12.707 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.367 14.833 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.653 13.754 -0.918 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.052 14.197 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.356 15.117 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.287 15.882 -3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.133 15.183 -4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.679 15.919 -4.745 1.00 0.00 H new ATOM 318 N HIS A 23 -1.780 8.658 1.294 1.00 0.00 N ATOM 319 CA HIS A 23 -1.560 8.093 2.621 1.00 0.00 C ATOM 320 C HIS A 23 -0.903 6.719 2.525 1.00 0.00 C ATOM 321 O HIS A 23 -1.535 5.745 2.115 1.00 0.00 O ATOM 322 CB HIS A 23 -2.884 7.986 3.379 1.00 0.00 C ATOM 323 CG HIS A 23 -3.350 9.287 3.957 1.00 0.00 C ATOM 324 ND1 HIS A 23 -4.538 9.888 3.597 1.00 0.00 N ATOM 325 CD2 HIS A 23 -2.781 10.102 4.876 1.00 0.00 C ATOM 326 CE1 HIS A 23 -4.679 11.017 4.269 1.00 0.00 C ATOM 327 NE2 HIS A 23 -3.626 11.170 5.052 1.00 0.00 N ATOM 0 H HIS A 23 -2.245 8.029 0.639 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.891 8.759 3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.649 7.603 2.704 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.775 7.259 4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.838 9.942 5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.513 11.699 4.191 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.467 11.954 5.685 1.00 0.00 H new ATOM 336 N CYS A 24 0.368 6.649 2.904 1.00 0.00 N ATOM 337 CA CYS A 24 1.112 5.396 2.859 1.00 0.00 C ATOM 338 C CYS A 24 0.277 4.248 3.421 1.00 0.00 C ATOM 339 O CYS A 24 0.045 4.168 4.627 1.00 0.00 O ATOM 340 CB CYS A 24 2.417 5.525 3.647 1.00 0.00 C ATOM 341 SG CYS A 24 3.208 3.932 4.041 1.00 0.00 S ATOM 0 H CYS A 24 0.905 7.446 3.246 1.00 0.00 H new ATOM 0 HA CYS A 24 1.345 5.177 1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.116 6.134 3.074 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.217 6.059 4.576 1.00 0.00 H new ATOM 346 N ASP A 25 -0.169 3.362 2.538 1.00 0.00 N ATOM 347 CA ASP A 25 -0.977 2.217 2.945 1.00 0.00 C ATOM 348 C ASP A 25 -0.308 0.908 2.536 1.00 0.00 C ATOM 349 O ASP A 25 -0.979 -0.047 2.147 1.00 0.00 O ATOM 350 CB ASP A 25 -2.373 2.306 2.327 1.00 0.00 C ATOM 351 CG ASP A 25 -2.350 2.149 0.819 1.00 0.00 C ATOM 352 OD1 ASP A 25 -1.964 3.115 0.129 1.00 0.00 O ATOM 353 OD2 ASP A 25 -2.720 1.061 0.330 1.00 0.00 O ATOM 0 H ASP A 25 0.015 3.414 1.536 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.068 2.234 4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.009 1.534 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.820 3.267 2.583 1.00 0.00 H new ATOM 358 N ALA A 26 1.017 0.873 2.627 1.00 0.00 N ATOM 359 CA ALA A 26 1.776 -0.319 2.268 1.00 0.00 C ATOM 360 C ALA A 26 1.958 -1.237 3.472 1.00 0.00 C ATOM 361 O ALA A 26 1.693 -0.863 4.614 1.00 0.00 O ATOM 362 CB ALA A 26 3.128 0.071 1.690 1.00 0.00 C ATOM 0 H ALA A 26 1.587 1.656 2.946 1.00 0.00 H new ATOM 0 HA ALA A 26 1.213 -0.864 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.684 -0.829 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.980 0.681 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.690 0.641 2.430 1.00 0.00 H new ATOM 368 N PRO A 27 2.421 -2.469 3.212 1.00 0.00 N ATOM 369 CA PRO A 27 2.648 -3.466 4.263 1.00 0.00 C ATOM 370 C PRO A 27 3.828 -3.106 5.159 1.00 0.00 C ATOM 371 O PRO A 27 3.725 -3.154 6.385 1.00 0.00 O ATOM 372 CB PRO A 27 2.945 -4.746 3.477 1.00 0.00 C ATOM 373 CG PRO A 27 3.472 -4.274 2.167 1.00 0.00 C ATOM 374 CD PRO A 27 2.758 -2.983 1.874 1.00 0.00 C ATOM 0 HA PRO A 27 1.795 -3.550 4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.674 -5.368 3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.046 -5.349 3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.550 -4.122 2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.286 -5.009 1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.393 -2.288 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.866 -3.145 1.269 1.00 0.00 H new ATOM 382 N ILE A 28 4.946 -2.744 4.540 1.00 0.00 N ATOM 383 CA ILE A 28 6.145 -2.374 5.282 1.00 0.00 C ATOM 384 C ILE A 28 6.751 -1.084 4.740 1.00 0.00 C ATOM 385 O ILE A 28 6.907 -0.919 3.530 1.00 0.00 O ATOM 386 CB ILE A 28 7.206 -3.489 5.230 1.00 0.00 C ATOM 387 CG1 ILE A 28 6.633 -4.795 5.783 1.00 0.00 C ATOM 388 CG2 ILE A 28 8.446 -3.076 6.009 1.00 0.00 C ATOM 389 CD1 ILE A 28 6.185 -4.697 7.224 1.00 0.00 C ATOM 0 H ILE A 28 5.047 -2.699 3.526 1.00 0.00 H new ATOM 0 HA ILE A 28 5.841 -2.222 6.318 1.00 0.00 H new ATOM 0 HB ILE A 28 7.491 -3.651 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.786 -5.100 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.387 -5.578 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.187 -3.874 5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.863 -2.168 5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.177 -2.890 7.049 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.790 -5.660 7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.033 -4.423 7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.408 -3.938 7.313 1.00 0.00 H new ATOM 401 N CYS A 29 7.093 -0.172 5.644 1.00 0.00 N ATOM 402 CA CYS A 29 7.684 1.103 5.258 1.00 0.00 C ATOM 403 C CYS A 29 9.115 1.219 5.776 1.00 0.00 C ATOM 404 O CYS A 29 9.371 1.043 6.968 1.00 0.00 O ATOM 405 CB CYS A 29 6.841 2.263 5.793 1.00 0.00 C ATOM 406 SG CYS A 29 6.938 3.778 4.787 1.00 0.00 S ATOM 0 H CYS A 29 6.971 -0.293 6.649 1.00 0.00 H new ATOM 0 HA CYS A 29 7.705 1.150 4.169 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.800 1.945 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.162 2.493 6.809 1.00 0.00 H new ATOM 411 N LEU A 30 10.043 1.516 4.874 1.00 0.00 N ATOM 412 CA LEU A 30 11.448 1.656 5.239 1.00 0.00 C ATOM 413 C LEU A 30 11.841 3.127 5.339 1.00 0.00 C ATOM 414 O LEU A 30 12.697 3.498 6.142 1.00 0.00 O ATOM 415 CB LEU A 30 12.335 0.948 4.213 1.00 0.00 C ATOM 416 CG LEU A 30 11.904 -0.463 3.813 1.00 0.00 C ATOM 417 CD1 LEU A 30 12.310 -0.759 2.378 1.00 0.00 C ATOM 418 CD2 LEU A 30 12.501 -1.492 4.762 1.00 0.00 C ATOM 0 H LEU A 30 9.848 1.665 3.884 1.00 0.00 H new ATOM 0 HA LEU A 30 11.592 1.193 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.377 1.562 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.348 0.897 4.612 1.00 0.00 H new ATOM 0 HG LEU A 30 10.818 -0.523 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.995 -1.768 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.834 -0.042 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.393 -0.680 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.184 -2.491 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.589 -1.431 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.159 -1.292 5.777 1.00 0.00 H new ATOM 430 N TYR A 31 11.209 3.959 4.520 1.00 0.00 N ATOM 431 CA TYR A 31 11.492 5.390 4.516 1.00 0.00 C ATOM 432 C TYR A 31 11.296 5.988 5.905 1.00 0.00 C ATOM 433 O TYR A 31 10.168 6.169 6.361 1.00 0.00 O ATOM 434 CB TYR A 31 10.592 6.106 3.508 1.00 0.00 C ATOM 435 CG TYR A 31 11.201 7.369 2.943 1.00 0.00 C ATOM 436 CD1 TYR A 31 12.495 7.375 2.439 1.00 0.00 C ATOM 437 CD2 TYR A 31 10.481 8.558 2.913 1.00 0.00 C ATOM 438 CE1 TYR A 31 13.056 8.527 1.922 1.00 0.00 C ATOM 439 CE2 TYR A 31 11.033 9.714 2.397 1.00 0.00 C ATOM 440 CZ TYR A 31 12.321 9.694 1.903 1.00 0.00 C ATOM 441 OH TYR A 31 12.876 10.843 1.388 1.00 0.00 O ATOM 0 H TYR A 31 10.497 3.668 3.850 1.00 0.00 H new ATOM 0 HA TYR A 31 12.533 5.528 4.225 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.364 5.424 2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.646 6.353 3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.073 6.463 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.473 8.578 3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 31 14.064 8.514 1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.459 10.629 2.380 1.00 0.00 H new ATOM 0 HH TYR A 31 12.227 11.575 1.448 1.00 0.00 H new ATOM 451 N GLU A 32 12.405 6.293 6.573 1.00 0.00 N ATOM 452 CA GLU A 32 12.355 6.871 7.911 1.00 0.00 C ATOM 453 C GLU A 32 11.246 7.913 8.012 1.00 0.00 C ATOM 454 O GLU A 32 10.543 7.990 9.020 1.00 0.00 O ATOM 455 CB GLU A 32 13.701 7.506 8.266 1.00 0.00 C ATOM 456 CG GLU A 32 13.781 8.001 9.700 1.00 0.00 C ATOM 457 CD GLU A 32 13.299 6.969 10.701 1.00 0.00 C ATOM 458 OE1 GLU A 32 14.120 6.135 11.137 1.00 0.00 O ATOM 459 OE2 GLU A 32 12.100 6.995 11.049 1.00 0.00 O ATOM 0 H GLU A 32 13.347 6.150 6.210 1.00 0.00 H new ATOM 0 HA GLU A 32 12.142 6.069 8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.493 6.776 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.888 8.341 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.812 8.271 9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.184 8.907 9.802 1.00 0.00 H new ATOM 466 N GLN A 33 11.096 8.714 6.962 1.00 0.00 N ATOM 467 CA GLN A 33 10.073 9.753 6.934 1.00 0.00 C ATOM 468 C GLN A 33 8.729 9.206 7.401 1.00 0.00 C ATOM 469 O GLN A 33 8.087 9.777 8.282 1.00 0.00 O ATOM 470 CB GLN A 33 9.941 10.329 5.523 1.00 0.00 C ATOM 471 CG GLN A 33 9.514 11.788 5.499 1.00 0.00 C ATOM 472 CD GLN A 33 10.570 12.714 6.072 1.00 0.00 C ATOM 473 OE1 GLN A 33 10.324 13.428 7.044 1.00 0.00 O ATOM 474 NE2 GLN A 33 11.753 12.707 5.470 1.00 0.00 N ATOM 0 H GLN A 33 11.669 8.664 6.120 1.00 0.00 H new ATOM 0 HA GLN A 33 10.378 10.547 7.616 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.897 10.230 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.216 9.737 4.964 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.296 12.082 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.590 11.902 6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.913 12.099 4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.502 13.310 5.810 1.00 0.00 H new ATOM 483 N GLY A 34 8.307 8.095 6.803 1.00 0.00 N ATOM 484 CA GLY A 34 7.040 7.490 7.171 1.00 0.00 C ATOM 485 C GLY A 34 5.904 8.493 7.196 1.00 0.00 C ATOM 486 O GLY A 34 5.364 8.803 8.257 1.00 0.00 O ATOM 0 H GLY A 34 8.820 7.604 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.802 6.694 6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.134 7.027 8.153 1.00 0.00 H new ATOM 490 N ARG A 35 5.541 9.003 6.023 1.00 0.00 N ATOM 491 CA ARG A 35 4.464 9.979 5.914 1.00 0.00 C ATOM 492 C ARG A 35 4.069 10.193 4.456 1.00 0.00 C ATOM 493 O ARG A 35 4.573 9.515 3.560 1.00 0.00 O ATOM 494 CB ARG A 35 4.887 11.309 6.540 1.00 0.00 C ATOM 495 CG ARG A 35 5.795 12.140 5.649 1.00 0.00 C ATOM 496 CD ARG A 35 6.536 13.203 6.444 1.00 0.00 C ATOM 497 NE ARG A 35 5.658 14.303 6.836 1.00 0.00 N ATOM 498 CZ ARG A 35 5.895 15.098 7.875 1.00 0.00 C ATOM 499 NH1 ARG A 35 6.976 14.915 8.621 1.00 0.00 N ATOM 500 NH2 ARG A 35 5.049 16.077 8.168 1.00 0.00 N ATOM 0 H ARG A 35 5.978 8.756 5.135 1.00 0.00 H new ATOM 0 HA ARG A 35 3.600 9.590 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.995 11.889 6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.399 11.111 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.514 11.489 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.203 12.616 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.972 12.751 7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.361 13.592 5.848 1.00 0.00 H new ATOM 0 HE ARG A 35 4.818 14.470 6.283 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.628 14.163 8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.155 15.526 9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.217 16.220 7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.231 16.687 8.965 1.00 0.00 H new ATOM 514 N ASP A 36 3.165 11.139 4.226 1.00 0.00 N ATOM 515 CA ASP A 36 2.703 11.444 2.877 1.00 0.00 C ATOM 516 C ASP A 36 3.745 12.259 2.117 1.00 0.00 C ATOM 517 O ASP A 36 3.418 13.256 1.472 1.00 0.00 O ATOM 518 CB ASP A 36 1.379 12.206 2.929 1.00 0.00 C ATOM 519 CG ASP A 36 1.409 13.353 3.920 1.00 0.00 C ATOM 520 OD1 ASP A 36 2.518 13.818 4.256 1.00 0.00 O ATOM 521 OD2 ASP A 36 0.323 13.785 4.359 1.00 0.00 O ATOM 0 H ASP A 36 2.737 11.708 4.957 1.00 0.00 H new ATOM 0 HA ASP A 36 2.550 10.502 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.147 12.593 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.578 11.518 3.198 1.00 0.00 H new ATOM 526 N SER A 37 5.000 11.830 2.199 1.00 0.00 N ATOM 527 CA SER A 37 6.090 12.523 1.523 1.00 0.00 C ATOM 528 C SER A 37 6.807 11.591 0.551 1.00 0.00 C ATOM 529 O SER A 37 7.464 10.634 0.961 1.00 0.00 O ATOM 530 CB SER A 37 7.085 13.074 2.546 1.00 0.00 C ATOM 531 OG SER A 37 6.733 14.388 2.944 1.00 0.00 O ATOM 0 H SER A 37 5.287 11.006 2.727 1.00 0.00 H new ATOM 0 HA SER A 37 5.664 13.352 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.113 12.422 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.087 13.077 2.118 1.00 0.00 H new ATOM 0 HG SER A 37 7.383 14.717 3.599 1.00 0.00 H new ATOM 537 N PHE A 38 6.676 11.877 -0.740 1.00 0.00 N ATOM 538 CA PHE A 38 7.309 11.065 -1.772 1.00 0.00 C ATOM 539 C PHE A 38 8.105 11.937 -2.739 1.00 0.00 C ATOM 540 O PHE A 38 8.052 13.164 -2.670 1.00 0.00 O ATOM 541 CB PHE A 38 6.255 10.264 -2.539 1.00 0.00 C ATOM 542 CG PHE A 38 5.231 9.616 -1.652 1.00 0.00 C ATOM 543 CD1 PHE A 38 4.214 10.366 -1.084 1.00 0.00 C ATOM 544 CD2 PHE A 38 5.286 8.258 -1.385 1.00 0.00 C ATOM 545 CE1 PHE A 38 3.269 9.774 -0.267 1.00 0.00 C ATOM 546 CE2 PHE A 38 4.344 7.660 -0.569 1.00 0.00 C ATOM 547 CZ PHE A 38 3.335 8.419 -0.008 1.00 0.00 C ATOM 0 H PHE A 38 6.137 12.666 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 38 7.996 10.374 -1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.748 10.925 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.753 9.494 -3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.159 11.426 -1.282 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.073 7.660 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.480 10.370 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.397 6.600 -0.370 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.600 7.954 0.632 1.00 0.00 H new ATOM 557 N GLU A 39 8.842 11.293 -3.638 1.00 0.00 N ATOM 558 CA GLU A 39 9.649 12.010 -4.618 1.00 0.00 C ATOM 559 C GLU A 39 9.116 11.787 -6.030 1.00 0.00 C ATOM 560 O GLU A 39 9.050 10.655 -6.510 1.00 0.00 O ATOM 561 CB GLU A 39 11.110 11.559 -4.536 1.00 0.00 C ATOM 562 CG GLU A 39 11.943 12.373 -3.561 1.00 0.00 C ATOM 563 CD GLU A 39 11.302 12.478 -2.191 1.00 0.00 C ATOM 564 OE1 GLU A 39 10.588 11.532 -1.797 1.00 0.00 O ATOM 565 OE2 GLU A 39 11.512 13.506 -1.514 1.00 0.00 O ATOM 0 H GLU A 39 8.897 10.277 -3.708 1.00 0.00 H new ATOM 0 HA GLU A 39 9.590 13.074 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.142 10.510 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.558 11.625 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.928 11.918 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.093 13.374 -3.965 1.00 0.00 H new ATOM 572 N ASP A 40 8.736 12.875 -6.691 1.00 0.00 N ATOM 573 CA ASP A 40 8.208 12.801 -8.048 1.00 0.00 C ATOM 574 C ASP A 40 9.004 11.806 -8.887 1.00 0.00 C ATOM 575 O ASP A 40 8.455 11.140 -9.764 1.00 0.00 O ATOM 576 CB ASP A 40 8.238 14.181 -8.707 1.00 0.00 C ATOM 577 CG ASP A 40 6.931 14.931 -8.540 1.00 0.00 C ATOM 578 OD1 ASP A 40 5.866 14.326 -8.782 1.00 0.00 O ATOM 579 OD2 ASP A 40 6.974 16.122 -8.168 1.00 0.00 O ATOM 0 H ASP A 40 8.784 13.819 -6.309 1.00 0.00 H new ATOM 0 HA ASP A 40 7.175 12.457 -7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.048 14.769 -8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.456 14.069 -9.769 1.00 0.00 H new ATOM 584 N GLU A 41 10.302 11.712 -8.611 1.00 0.00 N ATOM 585 CA GLU A 41 11.173 10.799 -9.342 1.00 0.00 C ATOM 586 C GLU A 41 12.069 10.019 -8.385 1.00 0.00 C ATOM 587 O GLU A 41 12.990 10.574 -7.787 1.00 0.00 O ATOM 588 CB GLU A 41 12.031 11.573 -10.345 1.00 0.00 C ATOM 589 CG GLU A 41 12.893 12.649 -9.707 1.00 0.00 C ATOM 590 CD GLU A 41 13.381 13.677 -10.709 1.00 0.00 C ATOM 591 OE1 GLU A 41 12.551 14.478 -11.188 1.00 0.00 O ATOM 592 OE2 GLU A 41 14.592 13.680 -11.015 1.00 0.00 O ATOM 0 H GLU A 41 10.772 12.256 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 41 10.544 10.091 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.674 10.872 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.380 12.034 -11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.322 13.151 -8.926 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.751 12.182 -9.224 1.00 0.00 H new ATOM 599 N GLY A 42 11.791 8.726 -8.244 1.00 0.00 N ATOM 600 CA GLY A 42 12.579 7.890 -7.358 1.00 0.00 C ATOM 601 C GLY A 42 11.776 6.746 -6.772 1.00 0.00 C ATOM 602 O GLY A 42 10.558 6.684 -6.943 1.00 0.00 O ATOM 0 H GLY A 42 11.034 8.243 -8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.431 7.488 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.979 8.500 -6.549 1.00 0.00 H new ATOM 606 N ARG A 43 12.458 5.838 -6.083 1.00 0.00 N ATOM 607 CA ARG A 43 11.799 4.688 -5.473 1.00 0.00 C ATOM 608 C ARG A 43 10.760 5.137 -4.450 1.00 0.00 C ATOM 609 O ARG A 43 9.711 4.510 -4.301 1.00 0.00 O ATOM 610 CB ARG A 43 12.831 3.779 -4.803 1.00 0.00 C ATOM 611 CG ARG A 43 13.659 4.480 -3.738 1.00 0.00 C ATOM 612 CD ARG A 43 14.573 3.505 -3.012 1.00 0.00 C ATOM 613 NE ARG A 43 15.726 3.127 -3.825 1.00 0.00 N ATOM 614 CZ ARG A 43 16.837 3.851 -3.907 1.00 0.00 C ATOM 615 NH1 ARG A 43 16.944 4.986 -3.228 1.00 0.00 N ATOM 616 NH2 ARG A 43 17.843 3.441 -4.668 1.00 0.00 N ATOM 0 H ARG A 43 13.466 5.875 -5.933 1.00 0.00 H new ATOM 0 HA ARG A 43 11.291 4.131 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.317 2.931 -4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.499 3.378 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.257 5.266 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.996 4.963 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.918 3.956 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.010 2.611 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 43 15.675 2.260 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.172 5.304 -2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.798 5.540 -3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.764 2.569 -5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.695 3.998 -4.730 1.00 0.00 H new ATOM 630 N TRP A 44 11.058 6.224 -3.749 1.00 0.00 N ATOM 631 CA TRP A 44 10.150 6.756 -2.740 1.00 0.00 C ATOM 632 C TRP A 44 9.124 7.692 -3.370 1.00 0.00 C ATOM 633 O TRP A 44 8.776 8.724 -2.794 1.00 0.00 O ATOM 634 CB TRP A 44 10.935 7.495 -1.655 1.00 0.00 C ATOM 635 CG TRP A 44 12.047 6.680 -1.067 1.00 0.00 C ATOM 636 CD1 TRP A 44 13.374 7.002 -1.041 1.00 0.00 C ATOM 637 CD2 TRP A 44 11.928 5.407 -0.423 1.00 0.00 C ATOM 638 NE1 TRP A 44 14.087 6.005 -0.419 1.00 0.00 N ATOM 639 CE2 TRP A 44 13.223 5.016 -0.030 1.00 0.00 C ATOM 640 CE3 TRP A 44 10.853 4.560 -0.138 1.00 0.00 C ATOM 641 CZ2 TRP A 44 13.469 3.816 0.631 1.00 0.00 C ATOM 642 CZ3 TRP A 44 11.100 3.369 0.518 1.00 0.00 C ATOM 643 CH2 TRP A 44 12.399 3.006 0.897 1.00 0.00 C ATOM 0 H TRP A 44 11.922 6.755 -3.861 1.00 0.00 H new ATOM 0 HA TRP A 44 9.620 5.918 -2.287 1.00 0.00 H new ATOM 0 HB2 TRP A 44 11.349 8.411 -2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 44 10.251 7.791 -0.860 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.800 7.907 -1.449 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.096 6.002 -0.271 1.00 0.00 H new ATOM 0 HE3 TRP A 44 9.848 4.831 -0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 14.470 3.534 0.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 10.277 2.706 0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 44 12.559 2.069 1.409 1.00 0.00 H new ATOM 654 N ARG A 45 8.644 7.327 -4.554 1.00 0.00 N ATOM 655 CA ARG A 45 7.659 8.136 -5.261 1.00 0.00 C ATOM 656 C ARG A 45 6.241 7.690 -4.917 1.00 0.00 C ATOM 657 O ARG A 45 5.986 6.504 -4.703 1.00 0.00 O ATOM 658 CB ARG A 45 7.882 8.043 -6.772 1.00 0.00 C ATOM 659 CG ARG A 45 7.661 6.648 -7.335 1.00 0.00 C ATOM 660 CD ARG A 45 8.030 6.579 -8.809 1.00 0.00 C ATOM 661 NE ARG A 45 7.056 7.270 -9.650 1.00 0.00 N ATOM 662 CZ ARG A 45 5.941 6.704 -10.100 1.00 0.00 C ATOM 663 NH1 ARG A 45 5.661 5.446 -9.792 1.00 0.00 N ATOM 664 NH2 ARG A 45 5.104 7.398 -10.861 1.00 0.00 N ATOM 0 H ARG A 45 8.921 6.476 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 45 7.782 9.172 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.210 8.739 -7.274 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.899 8.361 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.259 5.929 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.617 6.363 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.015 7.021 -8.957 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.099 5.536 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 45 7.242 8.240 -9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.302 4.909 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.804 5.015 -10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.316 8.366 -11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.248 6.963 -11.206 1.00 0.00 H new ATOM 678 N LEU A 46 5.322 8.647 -4.866 1.00 0.00 N ATOM 679 CA LEU A 46 3.928 8.354 -4.547 1.00 0.00 C ATOM 680 C LEU A 46 3.251 7.616 -5.697 1.00 0.00 C ATOM 681 O LEU A 46 3.129 8.146 -6.802 1.00 0.00 O ATOM 682 CB LEU A 46 3.172 9.647 -4.240 1.00 0.00 C ATOM 683 CG LEU A 46 1.664 9.508 -4.027 1.00 0.00 C ATOM 684 CD1 LEU A 46 1.372 8.881 -2.673 1.00 0.00 C ATOM 685 CD2 LEU A 46 0.981 10.863 -4.148 1.00 0.00 C ATOM 0 H LEU A 46 5.516 9.633 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 46 3.909 7.712 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.605 10.094 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.340 10.346 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 46 1.266 8.852 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.294 8.790 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.829 7.892 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.784 9.510 -1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.092 10.745 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.383 11.542 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.161 11.274 -5.141 1.00 0.00 H new ATOM 697 N ILE A 47 2.810 6.391 -5.429 1.00 0.00 N ATOM 698 CA ILE A 47 2.141 5.582 -6.440 1.00 0.00 C ATOM 699 C ILE A 47 0.683 5.335 -6.071 1.00 0.00 C ATOM 700 O ILE A 47 0.383 4.809 -4.998 1.00 0.00 O ATOM 701 CB ILE A 47 2.847 4.227 -6.633 1.00 0.00 C ATOM 702 CG1 ILE A 47 4.301 4.440 -7.059 1.00 0.00 C ATOM 703 CG2 ILE A 47 2.106 3.386 -7.662 1.00 0.00 C ATOM 704 CD1 ILE A 47 5.056 3.151 -7.296 1.00 0.00 C ATOM 0 H ILE A 47 2.904 5.937 -4.520 1.00 0.00 H new ATOM 0 HA ILE A 47 2.186 6.143 -7.374 1.00 0.00 H new ATOM 0 HB ILE A 47 2.841 3.693 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.320 5.036 -7.971 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.815 5.017 -6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.617 2.431 -7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.086 3.210 -7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.084 3.914 -8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.079 3.378 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.068 2.563 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.565 2.582 -8.086 1.00 0.00 H new ATOM 716 N LEU A 48 -0.221 5.717 -6.966 1.00 0.00 N ATOM 717 CA LEU A 48 -1.650 5.536 -6.736 1.00 0.00 C ATOM 718 C LEU A 48 -2.169 4.305 -7.473 1.00 0.00 C ATOM 719 O LEU A 48 -1.794 4.051 -8.619 1.00 0.00 O ATOM 720 CB LEU A 48 -2.421 6.778 -7.188 1.00 0.00 C ATOM 721 CG LEU A 48 -2.229 8.033 -6.337 1.00 0.00 C ATOM 722 CD1 LEU A 48 -2.457 9.284 -7.172 1.00 0.00 C ATOM 723 CD2 LEU A 48 -3.165 8.013 -5.138 1.00 0.00 C ATOM 0 H LEU A 48 0.010 6.154 -7.858 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.805 5.389 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.129 7.010 -8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.483 6.535 -7.207 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.202 8.047 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.316 10.168 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.746 9.305 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.473 9.277 -7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.014 8.914 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.198 7.975 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.954 7.136 -4.527 1.00 0.00 H new ATOM 735 N CYS A 49 -3.034 3.546 -6.810 1.00 0.00 N ATOM 736 CA CYS A 49 -3.606 2.342 -7.402 1.00 0.00 C ATOM 737 C CYS A 49 -4.037 2.597 -8.843 1.00 0.00 C ATOM 738 O CYS A 49 -4.243 3.741 -9.248 1.00 0.00 O ATOM 739 CB CYS A 49 -4.802 1.863 -6.577 1.00 0.00 C ATOM 740 SG CYS A 49 -5.609 0.368 -7.237 1.00 0.00 S ATOM 0 H CYS A 49 -3.355 3.743 -5.862 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.840 1.567 -7.403 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.471 1.664 -5.558 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.537 2.666 -6.522 1.00 0.00 H new ATOM 745 N ALA A 50 -4.173 1.522 -9.613 1.00 0.00 N ATOM 746 CA ALA A 50 -4.581 1.629 -11.008 1.00 0.00 C ATOM 747 C ALA A 50 -6.021 1.161 -11.196 1.00 0.00 C ATOM 748 O ALA A 50 -6.810 1.808 -11.886 1.00 0.00 O ATOM 749 CB ALA A 50 -3.643 0.824 -11.896 1.00 0.00 C ATOM 0 H ALA A 50 -4.007 0.568 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.526 2.678 -11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.960 0.913 -12.935 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.627 1.205 -11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.669 -0.224 -11.597 1.00 0.00 H new ATOM 755 N THR A 51 -6.358 0.034 -10.577 1.00 0.00 N ATOM 756 CA THR A 51 -7.702 -0.521 -10.678 1.00 0.00 C ATOM 757 C THR A 51 -8.747 0.482 -10.204 1.00 0.00 C ATOM 758 O THR A 51 -9.731 0.743 -10.896 1.00 0.00 O ATOM 759 CB THR A 51 -7.838 -1.815 -9.854 1.00 0.00 C ATOM 760 OG1 THR A 51 -6.872 -2.778 -10.292 1.00 0.00 O ATOM 761 CG2 THR A 51 -9.237 -2.397 -9.987 1.00 0.00 C ATOM 0 H THR A 51 -5.718 -0.512 -10.000 1.00 0.00 H new ATOM 0 HA THR A 51 -7.872 -0.749 -11.730 1.00 0.00 H new ATOM 0 HB THR A 51 -7.661 -1.573 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.964 -3.597 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.309 -3.310 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.968 -1.673 -9.626 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.438 -2.625 -11.034 1.00 0.00 H new ATOM 769 N CYS A 52 -8.528 1.042 -9.019 1.00 0.00 N ATOM 770 CA CYS A 52 -9.451 2.017 -8.451 1.00 0.00 C ATOM 771 C CYS A 52 -8.818 3.405 -8.409 1.00 0.00 C ATOM 772 O CYS A 52 -9.451 4.399 -8.765 1.00 0.00 O ATOM 773 CB CYS A 52 -9.871 1.593 -7.042 1.00 0.00 C ATOM 774 SG CYS A 52 -8.552 1.747 -5.795 1.00 0.00 S ATOM 0 H CYS A 52 -7.719 0.837 -8.433 1.00 0.00 H new ATOM 0 HA CYS A 52 -10.334 2.059 -9.089 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.723 2.198 -6.731 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.209 0.557 -7.071 1.00 0.00 H new ATOM 779 N GLY A 53 -7.564 3.465 -7.971 1.00 0.00 N ATOM 780 CA GLY A 53 -6.866 4.735 -7.891 1.00 0.00 C ATOM 781 C GLY A 53 -7.294 5.557 -6.691 1.00 0.00 C ATOM 782 O GLY A 53 -7.648 6.728 -6.827 1.00 0.00 O ATOM 0 H GLY A 53 -7.019 2.657 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.792 4.553 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.049 5.305 -8.802 1.00 0.00 H new ATOM 786 N SER A 54 -7.264 4.942 -5.513 1.00 0.00 N ATOM 787 CA SER A 54 -7.657 5.622 -4.285 1.00 0.00 C ATOM 788 C SER A 54 -6.527 5.592 -3.261 1.00 0.00 C ATOM 789 O SER A 54 -6.220 6.603 -2.628 1.00 0.00 O ATOM 790 CB SER A 54 -8.911 4.973 -3.696 1.00 0.00 C ATOM 791 OG SER A 54 -9.581 5.862 -2.819 1.00 0.00 O ATOM 0 H SER A 54 -6.971 3.974 -5.383 1.00 0.00 H new ATOM 0 HA SER A 54 -7.875 6.662 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.583 4.676 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.636 4.065 -3.159 1.00 0.00 H new ATOM 0 HG SER A 54 -10.380 5.424 -2.457 1.00 0.00 H new ATOM 797 N HIS A 55 -5.910 4.425 -3.104 1.00 0.00 N ATOM 798 CA HIS A 55 -4.813 4.262 -2.157 1.00 0.00 C ATOM 799 C HIS A 55 -3.532 4.893 -2.696 1.00 0.00 C ATOM 800 O HIS A 55 -3.360 5.034 -3.906 1.00 0.00 O ATOM 801 CB HIS A 55 -4.580 2.779 -1.864 1.00 0.00 C ATOM 802 CG HIS A 55 -5.657 2.158 -1.029 1.00 0.00 C ATOM 803 ND1 HIS A 55 -5.401 1.466 0.136 1.00 0.00 N ATOM 804 CD2 HIS A 55 -7.000 2.129 -1.194 1.00 0.00 C ATOM 805 CE1 HIS A 55 -6.539 1.036 0.650 1.00 0.00 C ATOM 806 NE2 HIS A 55 -7.525 1.426 -0.138 1.00 0.00 N ATOM 0 H HIS A 55 -6.151 3.579 -3.620 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.086 4.769 -1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.505 2.238 -2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.624 2.664 -1.354 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -4.477 1.310 0.538 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.555 2.576 -2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.645 0.463 1.559 1.00 0.00 H new ATOM 815 N GLY A 56 -2.637 5.271 -1.788 1.00 0.00 N ATOM 816 CA GLY A 56 -1.384 5.883 -2.192 1.00 0.00 C ATOM 817 C GLY A 56 -0.243 5.540 -1.256 1.00 0.00 C ATOM 818 O GLY A 56 -0.322 5.785 -0.051 1.00 0.00 O ATOM 0 H GLY A 56 -2.757 5.165 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.133 5.557 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.507 6.965 -2.228 1.00 0.00 H new ATOM 822 N THR A 57 0.822 4.968 -1.808 1.00 0.00 N ATOM 823 CA THR A 57 1.984 4.588 -1.014 1.00 0.00 C ATOM 824 C THR A 57 3.259 4.634 -1.848 1.00 0.00 C ATOM 825 O THR A 57 3.209 4.784 -3.069 1.00 0.00 O ATOM 826 CB THR A 57 1.822 3.174 -0.423 1.00 0.00 C ATOM 827 OG1 THR A 57 2.643 3.033 0.741 1.00 0.00 O ATOM 828 CG2 THR A 57 2.197 2.113 -1.447 1.00 0.00 C ATOM 0 H THR A 57 0.904 4.757 -2.803 1.00 0.00 H new ATOM 0 HA THR A 57 2.060 5.309 -0.200 1.00 0.00 H new ATOM 0 HB THR A 57 0.776 3.036 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.541 2.745 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.075 1.123 -1.007 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.550 2.205 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.235 2.250 -1.749 1.00 0.00 H new ATOM 836 N HIS A 58 4.402 4.504 -1.181 1.00 0.00 N ATOM 837 CA HIS A 58 5.691 4.530 -1.862 1.00 0.00 C ATOM 838 C HIS A 58 5.869 3.292 -2.737 1.00 0.00 C ATOM 839 O HIS A 58 5.103 2.334 -2.635 1.00 0.00 O ATOM 840 CB HIS A 58 6.828 4.616 -0.843 1.00 0.00 C ATOM 841 CG HIS A 58 6.567 5.589 0.264 1.00 0.00 C ATOM 842 ND1 HIS A 58 5.711 5.325 1.313 1.00 0.00 N ATOM 843 CD2 HIS A 58 7.057 6.832 0.484 1.00 0.00 C ATOM 844 CE1 HIS A 58 5.684 6.364 2.129 1.00 0.00 C ATOM 845 NE2 HIS A 58 6.492 7.292 1.649 1.00 0.00 N ATOM 0 H HIS A 58 4.461 4.380 -0.170 1.00 0.00 H new ATOM 0 HA HIS A 58 5.718 5.412 -2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.997 3.628 -0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.745 4.901 -1.358 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.761 7.363 -0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.100 6.441 3.034 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.668 8.202 2.074 1.00 0.00 H new ATOM 853 N ARG A 59 6.883 3.321 -3.596 1.00 0.00 N ATOM 854 CA ARG A 59 7.159 2.203 -4.489 1.00 0.00 C ATOM 855 C ARG A 59 7.726 1.016 -3.716 1.00 0.00 C ATOM 856 O ARG A 59 7.067 -0.014 -3.568 1.00 0.00 O ATOM 857 CB ARG A 59 8.140 2.627 -5.584 1.00 0.00 C ATOM 858 CG ARG A 59 8.073 1.761 -6.831 1.00 0.00 C ATOM 859 CD ARG A 59 9.035 0.586 -6.746 1.00 0.00 C ATOM 860 NE ARG A 59 10.421 0.998 -6.951 1.00 0.00 N ATOM 861 CZ ARG A 59 10.899 1.413 -8.118 1.00 0.00 C ATOM 862 NH1 ARG A 59 10.107 1.473 -9.180 1.00 0.00 N ATOM 863 NH2 ARG A 59 12.173 1.771 -8.225 1.00 0.00 N ATOM 0 H ARG A 59 7.527 4.107 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 59 6.219 1.899 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.938 3.662 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.153 2.595 -5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.056 1.391 -6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.310 2.364 -7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.939 0.109 -5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.764 -0.159 -7.494 1.00 0.00 H new ATOM 0 HE ARG A 59 11.057 0.965 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.127 1.200 -9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.477 1.792 -10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.785 1.727 -7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.540 2.090 -9.122 1.00 0.00 H new ATOM 877 N ASP A 60 8.951 1.167 -3.224 1.00 0.00 N ATOM 878 CA ASP A 60 9.607 0.109 -2.465 1.00 0.00 C ATOM 879 C ASP A 60 8.765 -0.297 -1.260 1.00 0.00 C ATOM 880 O ASP A 60 8.635 -1.481 -0.950 1.00 0.00 O ATOM 881 CB ASP A 60 10.992 0.565 -2.005 1.00 0.00 C ATOM 882 CG ASP A 60 11.794 -0.560 -1.381 1.00 0.00 C ATOM 883 OD1 ASP A 60 11.219 -1.324 -0.578 1.00 0.00 O ATOM 884 OD2 ASP A 60 12.997 -0.676 -1.696 1.00 0.00 O ATOM 0 H ASP A 60 9.510 2.013 -3.338 1.00 0.00 H new ATOM 0 HA ASP A 60 9.717 -0.757 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.540 0.969 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.884 1.374 -1.283 1.00 0.00 H new ATOM 889 N CYS A 61 8.195 0.694 -0.582 1.00 0.00 N ATOM 890 CA CYS A 61 7.366 0.442 0.591 1.00 0.00 C ATOM 891 C CYS A 61 6.342 -0.653 0.308 1.00 0.00 C ATOM 892 O CYS A 61 6.052 -1.484 1.169 1.00 0.00 O ATOM 893 CB CYS A 61 6.653 1.724 1.022 1.00 0.00 C ATOM 894 SG CYS A 61 5.703 1.563 2.569 1.00 0.00 S ATOM 0 H CYS A 61 8.292 1.680 -0.825 1.00 0.00 H new ATOM 0 HA CYS A 61 8.016 0.107 1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.393 2.515 1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.979 2.037 0.225 1.00 0.00 H new ATOM 899 N SER A 62 5.798 -0.647 -0.905 1.00 0.00 N ATOM 900 CA SER A 62 4.803 -1.637 -1.301 1.00 0.00 C ATOM 901 C SER A 62 5.475 -2.910 -1.807 1.00 0.00 C ATOM 902 O SER A 62 4.933 -3.615 -2.659 1.00 0.00 O ATOM 903 CB SER A 62 3.886 -1.065 -2.384 1.00 0.00 C ATOM 904 OG SER A 62 2.746 -0.448 -1.813 1.00 0.00 O ATOM 0 H SER A 62 6.029 0.032 -1.630 1.00 0.00 H new ATOM 0 HA SER A 62 4.205 -1.886 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.435 -0.338 -2.983 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.573 -1.862 -3.058 1.00 0.00 H new ATOM 0 HG SER A 62 2.082 -0.275 -2.513 1.00 0.00 H new ATOM 910 N SER A 63 6.659 -3.198 -1.277 1.00 0.00 N ATOM 911 CA SER A 63 7.408 -4.383 -1.677 1.00 0.00 C ATOM 912 C SER A 63 7.215 -4.672 -3.162 1.00 0.00 C ATOM 913 O SER A 63 7.107 -5.829 -3.573 1.00 0.00 O ATOM 914 CB SER A 63 6.969 -5.593 -0.849 1.00 0.00 C ATOM 915 OG SER A 63 8.037 -6.510 -0.681 1.00 0.00 O ATOM 0 H SER A 63 7.120 -2.627 -0.569 1.00 0.00 H new ATOM 0 HA SER A 63 8.466 -4.192 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.614 -5.261 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.133 -6.090 -1.340 1.00 0.00 H new ATOM 0 HG SER A 63 7.732 -7.273 -0.148 1.00 0.00 H new ATOM 921 N LEU A 64 7.173 -3.614 -3.964 1.00 0.00 N ATOM 922 CA LEU A 64 6.993 -3.752 -5.405 1.00 0.00 C ATOM 923 C LEU A 64 8.299 -4.156 -6.080 1.00 0.00 C ATOM 924 O LEU A 64 9.309 -4.383 -5.415 1.00 0.00 O ATOM 925 CB LEU A 64 6.480 -2.440 -6.002 1.00 0.00 C ATOM 926 CG LEU A 64 5.000 -2.131 -5.773 1.00 0.00 C ATOM 927 CD1 LEU A 64 4.663 -0.735 -6.273 1.00 0.00 C ATOM 928 CD2 LEU A 64 4.126 -3.171 -6.460 1.00 0.00 C ATOM 0 H LEU A 64 7.261 -2.651 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 64 6.257 -4.536 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.069 -1.621 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.665 -2.456 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 64 4.802 -2.169 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.606 -0.533 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.264 -0.001 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.877 -0.669 -7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.076 -2.936 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.327 -3.165 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.348 -4.158 -6.055 1.00 0.00 H new ATOM 940 N ARG A 65 8.272 -4.242 -7.406 1.00 0.00 N ATOM 941 CA ARG A 65 9.454 -4.617 -8.172 1.00 0.00 C ATOM 942 C ARG A 65 10.298 -3.390 -8.505 1.00 0.00 C ATOM 943 O ARG A 65 9.820 -2.256 -8.495 1.00 0.00 O ATOM 944 CB ARG A 65 9.047 -5.334 -9.461 1.00 0.00 C ATOM 945 CG ARG A 65 8.765 -6.815 -9.271 1.00 0.00 C ATOM 946 CD ARG A 65 8.744 -7.553 -10.601 1.00 0.00 C ATOM 947 NE ARG A 65 10.062 -8.068 -10.962 1.00 0.00 N ATOM 948 CZ ARG A 65 10.539 -9.232 -10.535 1.00 0.00 C ATOM 949 NH1 ARG A 65 9.808 -9.998 -9.737 1.00 0.00 N ATOM 950 NH2 ARG A 65 11.748 -9.632 -10.908 1.00 0.00 N ATOM 0 H ARG A 65 7.444 -4.057 -7.972 1.00 0.00 H new ATOM 0 HA ARG A 65 10.052 -5.293 -7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.158 -4.853 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.841 -5.216 -10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.526 -7.251 -8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.807 -6.942 -8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.035 -8.379 -10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.391 -6.881 -11.383 1.00 0.00 H new ATOM 0 HE ARG A 65 10.649 -7.503 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.878 -9.694 -9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.176 -10.891 -9.410 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.312 -9.046 -11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.113 -10.526 -10.580 1.00 0.00 H new ATOM 964 N PRO A 66 11.585 -3.621 -8.806 1.00 0.00 N ATOM 965 CA PRO A 66 12.523 -2.548 -9.147 1.00 0.00 C ATOM 966 C PRO A 66 12.217 -1.919 -10.502 1.00 0.00 C ATOM 967 O PRO A 66 12.770 -0.877 -10.852 1.00 0.00 O ATOM 968 CB PRO A 66 13.878 -3.259 -9.181 1.00 0.00 C ATOM 969 CG PRO A 66 13.553 -4.680 -9.485 1.00 0.00 C ATOM 970 CD PRO A 66 12.223 -4.948 -8.837 1.00 0.00 C ATOM 0 HA PRO A 66 12.476 -1.724 -8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.531 -2.831 -9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.397 -3.167 -8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.504 -4.848 -10.561 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.320 -5.348 -9.093 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.634 -5.664 -9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.340 -5.361 -7.835 1.00 0.00 H new ATOM 978 N ASN A 67 11.333 -2.559 -11.260 1.00 0.00 N ATOM 979 CA ASN A 67 10.953 -2.062 -12.577 1.00 0.00 C ATOM 980 C ASN A 67 9.441 -2.122 -12.766 1.00 0.00 C ATOM 981 O ASN A 67 8.952 -2.484 -13.837 1.00 0.00 O ATOM 982 CB ASN A 67 11.648 -2.876 -13.672 1.00 0.00 C ATOM 983 CG ASN A 67 13.111 -3.128 -13.364 1.00 0.00 C ATOM 984 OD1 ASN A 67 13.486 -4.217 -12.929 1.00 0.00 O ATOM 985 ND2 ASN A 67 13.945 -2.120 -13.589 1.00 0.00 N ATOM 0 H ASN A 67 10.866 -3.423 -10.985 1.00 0.00 H new ATOM 0 HA ASN A 67 11.269 -1.021 -12.650 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.135 -3.830 -13.792 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.565 -2.348 -14.622 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.941 -2.231 -13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.589 -1.235 -13.950 1.00 0.00 H new ATOM 992 N SER A 68 8.704 -1.763 -11.719 1.00 0.00 N ATOM 993 CA SER A 68 7.247 -1.779 -11.769 1.00 0.00 C ATOM 994 C SER A 68 6.712 -0.510 -12.426 1.00 0.00 C ATOM 995 O SER A 68 7.422 0.489 -12.544 1.00 0.00 O ATOM 996 CB SER A 68 6.670 -1.918 -10.359 1.00 0.00 C ATOM 997 OG SER A 68 5.277 -1.653 -10.349 1.00 0.00 O ATOM 0 H SER A 68 9.092 -1.458 -10.827 1.00 0.00 H new ATOM 0 HA SER A 68 6.938 -2.636 -12.368 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.854 -2.925 -9.985 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.179 -1.229 -9.685 1.00 0.00 H new ATOM 0 HG SER A 68 4.932 -1.750 -9.437 1.00 0.00 H new ATOM 1003 N LYS A 69 5.455 -0.558 -12.853 1.00 0.00 N ATOM 1004 CA LYS A 69 4.822 0.586 -13.498 1.00 0.00 C ATOM 1005 C LYS A 69 3.457 0.873 -12.880 1.00 0.00 C ATOM 1006 O LYS A 69 3.150 2.013 -12.530 1.00 0.00 O ATOM 1007 CB LYS A 69 4.669 0.331 -15.000 1.00 0.00 C ATOM 1008 CG LYS A 69 5.988 0.088 -15.712 1.00 0.00 C ATOM 1009 CD LYS A 69 5.911 0.482 -17.178 1.00 0.00 C ATOM 1010 CE LYS A 69 6.286 1.941 -17.384 1.00 0.00 C ATOM 1011 NZ LYS A 69 5.874 2.436 -18.726 1.00 0.00 N ATOM 0 H LYS A 69 4.854 -1.377 -12.764 1.00 0.00 H new ATOM 0 HA LYS A 69 5.461 1.456 -13.346 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.020 -0.532 -15.149 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.171 1.186 -15.457 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.777 0.658 -15.222 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.258 -0.965 -15.631 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.578 -0.152 -17.762 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.901 0.309 -17.550 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.815 2.549 -16.612 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.363 2.059 -17.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.148 3.434 -18.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.343 1.872 -19.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.843 2.348 -18.827 1.00 0.00 H new ATOM 1025 N LYS A 70 2.642 -0.168 -12.746 1.00 0.00 N ATOM 1026 CA LYS A 70 1.312 -0.029 -12.166 1.00 0.00 C ATOM 1027 C LYS A 70 1.160 -0.914 -10.933 1.00 0.00 C ATOM 1028 O LYS A 70 1.544 -2.083 -10.946 1.00 0.00 O ATOM 1029 CB LYS A 70 0.243 -0.389 -13.200 1.00 0.00 C ATOM 1030 CG LYS A 70 0.382 -1.797 -13.754 1.00 0.00 C ATOM 1031 CD LYS A 70 -0.876 -2.236 -14.484 1.00 0.00 C ATOM 1032 CE LYS A 70 -1.885 -2.861 -13.532 1.00 0.00 C ATOM 1033 NZ LYS A 70 -2.840 -1.852 -12.995 1.00 0.00 N ATOM 0 H LYS A 70 2.880 -1.118 -13.032 1.00 0.00 H new ATOM 0 HA LYS A 70 1.182 1.010 -11.863 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.742 -0.282 -12.745 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.292 0.323 -14.024 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.232 -1.839 -14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.592 -2.490 -12.940 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.327 -1.378 -14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.615 -2.954 -15.261 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.438 -3.644 -14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.358 -3.338 -12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.797 -2.258 -12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.555 -1.582 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.836 -1.010 -13.606 1.00 0.00 H new ATOM 1047 N TRP A 71 0.597 -0.349 -9.871 1.00 0.00 N ATOM 1048 CA TRP A 71 0.393 -1.089 -8.631 1.00 0.00 C ATOM 1049 C TRP A 71 -1.070 -1.046 -8.205 1.00 0.00 C ATOM 1050 O TRP A 71 -1.784 -0.089 -8.503 1.00 0.00 O ATOM 1051 CB TRP A 71 1.277 -0.516 -7.521 1.00 0.00 C ATOM 1052 CG TRP A 71 0.677 -0.654 -6.154 1.00 0.00 C ATOM 1053 CD1 TRP A 71 0.733 -1.750 -5.342 1.00 0.00 C ATOM 1054 CD2 TRP A 71 -0.069 0.339 -5.442 1.00 0.00 C ATOM 1055 NE1 TRP A 71 0.065 -1.499 -4.167 1.00 0.00 N ATOM 1056 CE2 TRP A 71 -0.435 -0.224 -4.203 1.00 0.00 C ATOM 1057 CE3 TRP A 71 -0.463 1.648 -5.729 1.00 0.00 C ATOM 1058 CZ2 TRP A 71 -1.176 0.478 -3.256 1.00 0.00 C ATOM 1059 CZ3 TRP A 71 -1.198 2.344 -4.788 1.00 0.00 C ATOM 1060 CH2 TRP A 71 -1.548 1.759 -3.564 1.00 0.00 C ATOM 0 H TRP A 71 0.274 0.618 -9.844 1.00 0.00 H new ATOM 0 HA TRP A 71 0.670 -2.128 -8.807 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.243 -1.020 -7.539 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.464 0.539 -7.723 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.229 -2.678 -5.587 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.041 -2.156 -3.394 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.198 2.108 -6.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.448 0.028 -2.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.508 3.357 -5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.123 2.330 -2.849 1.00 0.00 H new ATOM 1071 N GLU A 72 -1.510 -2.089 -7.508 1.00 0.00 N ATOM 1072 CA GLU A 72 -2.890 -2.169 -7.043 1.00 0.00 C ATOM 1073 C GLU A 72 -2.950 -2.189 -5.518 1.00 0.00 C ATOM 1074 O GLU A 72 -2.038 -2.686 -4.856 1.00 0.00 O ATOM 1075 CB GLU A 72 -3.570 -3.417 -7.608 1.00 0.00 C ATOM 1076 CG GLU A 72 -3.498 -3.517 -9.123 1.00 0.00 C ATOM 1077 CD GLU A 72 -2.272 -4.271 -9.600 1.00 0.00 C ATOM 1078 OE1 GLU A 72 -1.957 -5.326 -9.010 1.00 0.00 O ATOM 1079 OE2 GLU A 72 -1.628 -3.806 -10.563 1.00 0.00 O ATOM 0 H GLU A 72 -0.932 -2.890 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.418 -1.284 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.107 -4.302 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.616 -3.421 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.394 -4.016 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.492 -2.514 -9.550 1.00 0.00 H new ATOM 1086 N CYS A 73 -4.030 -1.646 -4.967 1.00 0.00 N ATOM 1087 CA CYS A 73 -4.211 -1.600 -3.521 1.00 0.00 C ATOM 1088 C CYS A 73 -4.742 -2.931 -2.997 1.00 0.00 C ATOM 1089 O CYS A 73 -5.162 -3.791 -3.770 1.00 0.00 O ATOM 1090 CB CYS A 73 -5.170 -0.470 -3.142 1.00 0.00 C ATOM 1091 SG CYS A 73 -6.900 -0.770 -3.626 1.00 0.00 S ATOM 0 H CYS A 73 -4.794 -1.231 -5.501 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.240 -1.411 -3.064 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.127 -0.318 -2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.828 0.454 -3.609 1.00 0.00 H new ATOM 1096 N ASN A 74 -4.719 -3.092 -1.678 1.00 0.00 N ATOM 1097 CA ASN A 74 -5.198 -4.318 -1.050 1.00 0.00 C ATOM 1098 C ASN A 74 -6.649 -4.595 -1.433 1.00 0.00 C ATOM 1099 O ASN A 74 -6.978 -5.682 -1.907 1.00 0.00 O ATOM 1100 CB ASN A 74 -5.071 -4.219 0.472 1.00 0.00 C ATOM 1101 CG ASN A 74 -4.944 -5.579 1.131 1.00 0.00 C ATOM 1102 OD1 ASN A 74 -3.856 -5.983 1.541 1.00 0.00 O ATOM 1103 ND2 ASN A 74 -6.060 -6.292 1.236 1.00 0.00 N ATOM 0 H ASN A 74 -4.374 -2.390 -1.024 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.583 -5.144 -1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.200 -3.614 0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.943 -3.703 0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.037 -7.214 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.940 -5.917 0.882 1.00 0.00 H new ATOM 1110 N GLU A 75 -7.510 -3.604 -1.225 1.00 0.00 N ATOM 1111 CA GLU A 75 -8.925 -3.742 -1.549 1.00 0.00 C ATOM 1112 C GLU A 75 -9.110 -4.431 -2.898 1.00 0.00 C ATOM 1113 O GLU A 75 -9.955 -5.313 -3.047 1.00 0.00 O ATOM 1114 CB GLU A 75 -9.603 -2.370 -1.567 1.00 0.00 C ATOM 1115 CG GLU A 75 -11.039 -2.408 -2.061 1.00 0.00 C ATOM 1116 CD GLU A 75 -11.140 -2.294 -3.570 1.00 0.00 C ATOM 1117 OE1 GLU A 75 -10.388 -1.489 -4.157 1.00 0.00 O ATOM 1118 OE2 GLU A 75 -11.972 -3.012 -4.164 1.00 0.00 O ATOM 0 H GLU A 75 -7.253 -2.698 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.389 -4.359 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.585 -1.952 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.027 -1.697 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.506 -3.339 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.599 -1.594 -1.601 1.00 0.00 H new ATOM 1125 N CYS A 76 -8.313 -4.021 -3.879 1.00 0.00 N ATOM 1126 CA CYS A 76 -8.387 -4.596 -5.216 1.00 0.00 C ATOM 1127 C CYS A 76 -7.691 -5.953 -5.265 1.00 0.00 C ATOM 1128 O CYS A 76 -8.218 -6.914 -5.826 1.00 0.00 O ATOM 1129 CB CYS A 76 -7.754 -3.648 -6.238 1.00 0.00 C ATOM 1130 SG CYS A 76 -8.669 -2.091 -6.474 1.00 0.00 S ATOM 0 H CYS A 76 -7.608 -3.292 -3.772 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.439 -4.738 -5.465 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.738 -3.415 -5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.679 -4.162 -7.196 1.00 0.00 H new ATOM 1135 N LEU A 77 -6.503 -6.023 -4.673 1.00 0.00 N ATOM 1136 CA LEU A 77 -5.734 -7.262 -4.648 1.00 0.00 C ATOM 1137 C LEU A 77 -6.575 -8.415 -4.111 1.00 0.00 C ATOM 1138 O LEU A 77 -7.536 -8.220 -3.366 1.00 0.00 O ATOM 1139 CB LEU A 77 -4.479 -7.088 -3.790 1.00 0.00 C ATOM 1140 CG LEU A 77 -3.364 -6.236 -4.396 1.00 0.00 C ATOM 1141 CD1 LEU A 77 -2.296 -5.935 -3.356 1.00 0.00 C ATOM 1142 CD2 LEU A 77 -2.754 -6.936 -5.602 1.00 0.00 C ATOM 0 H LEU A 77 -6.052 -5.237 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.439 -7.498 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.772 -6.643 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.075 -8.076 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.795 -5.291 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.511 -5.328 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.742 -5.392 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.868 -6.869 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.962 -6.315 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.339 -7.896 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.524 -7.099 -6.356 1.00 0.00 H new ATOM 1154 N PRO A 78 -6.206 -9.646 -4.495 1.00 0.00 N ATOM 1155 CA PRO A 78 -6.912 -10.855 -4.061 1.00 0.00 C ATOM 1156 C PRO A 78 -6.704 -11.149 -2.579 1.00 0.00 C ATOM 1157 O PRO A 78 -7.126 -12.190 -2.078 1.00 0.00 O ATOM 1158 CB PRO A 78 -6.285 -11.958 -4.918 1.00 0.00 C ATOM 1159 CG PRO A 78 -4.930 -11.445 -5.264 1.00 0.00 C ATOM 1160 CD PRO A 78 -5.070 -9.952 -5.381 1.00 0.00 C ATOM 0 HA PRO A 78 -7.991 -10.762 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.224 -12.898 -4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.877 -12.148 -5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.204 -11.710 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.576 -11.878 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.163 -9.437 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.268 -9.646 -6.408 1.00 0.00 H new ATOM 1168 N ALA A 79 -6.051 -10.223 -1.884 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.790 -10.382 -0.459 1.00 0.00 C ATOM 1170 C ALA A 79 -6.726 -9.511 0.372 1.00 0.00 C ATOM 1171 O ALA A 79 -7.194 -8.470 -0.090 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.339 -10.045 -0.148 1.00 0.00 C ATOM 0 H ALA A 79 -5.693 -9.356 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.975 -11.423 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.158 -10.168 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.683 -10.712 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.136 -9.013 -0.434 1.00 0.00 H new ATOM 1178 N SER A 80 -6.996 -9.944 1.599 1.00 0.00 N ATOM 1179 CA SER A 80 -7.881 -9.205 2.493 1.00 0.00 C ATOM 1180 C SER A 80 -7.487 -9.423 3.950 1.00 0.00 C ATOM 1181 O SER A 80 -6.616 -10.237 4.254 1.00 0.00 O ATOM 1182 CB SER A 80 -9.334 -9.635 2.276 1.00 0.00 C ATOM 1183 OG SER A 80 -10.234 -8.670 2.792 1.00 0.00 O ATOM 0 H SER A 80 -6.615 -10.802 1.997 1.00 0.00 H new ATOM 0 HA SER A 80 -7.785 -8.144 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.519 -9.777 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.509 -10.596 2.761 1.00 0.00 H new ATOM 0 HG SER A 80 -11.155 -8.967 2.639 1.00 0.00 H new ATOM 1189 N GLY A 81 -8.135 -8.688 4.849 1.00 0.00 N ATOM 1190 CA GLY A 81 -7.838 -8.814 6.264 1.00 0.00 C ATOM 1191 C GLY A 81 -8.927 -9.547 7.021 1.00 0.00 C ATOM 1192 O GLY A 81 -9.883 -10.058 6.437 1.00 0.00 O ATOM 0 H GLY A 81 -8.860 -8.008 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.894 -9.344 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.706 -7.821 6.694 1.00 0.00 H new ATOM 1196 N PRO A 82 -8.789 -9.608 8.354 1.00 0.00 N ATOM 1197 CA PRO A 82 -9.759 -10.283 9.221 1.00 0.00 C ATOM 1198 C PRO A 82 -11.088 -9.538 9.294 1.00 0.00 C ATOM 1199 O PRO A 82 -12.151 -10.126 9.097 1.00 0.00 O ATOM 1200 CB PRO A 82 -9.071 -10.286 10.588 1.00 0.00 C ATOM 1201 CG PRO A 82 -8.137 -9.127 10.544 1.00 0.00 C ATOM 1202 CD PRO A 82 -7.675 -9.021 9.117 1.00 0.00 C ATOM 0 HA PRO A 82 -10.011 -11.278 8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.795 -10.181 11.396 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.536 -11.220 10.760 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.636 -8.211 10.862 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.293 -9.280 11.217 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.492 -7.986 8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.745 -9.566 8.954 1.00 0.00 H new ATOM 1210 N SER A 83 -11.019 -8.242 9.578 1.00 0.00 N ATOM 1211 CA SER A 83 -12.218 -7.417 9.681 1.00 0.00 C ATOM 1212 C SER A 83 -12.004 -6.063 9.013 1.00 0.00 C ATOM 1213 O SER A 83 -11.053 -5.347 9.326 1.00 0.00 O ATOM 1214 CB SER A 83 -12.602 -7.220 11.148 1.00 0.00 C ATOM 1215 OG SER A 83 -13.999 -7.026 11.288 1.00 0.00 O ATOM 0 H SER A 83 -10.146 -7.740 9.741 1.00 0.00 H new ATOM 0 HA SER A 83 -13.029 -7.932 9.167 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.292 -8.089 11.728 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.070 -6.360 11.554 1.00 0.00 H new ATOM 0 HG SER A 83 -14.219 -6.904 12.235 1.00 0.00 H new ATOM 1221 N SER A 84 -12.896 -5.718 8.090 1.00 0.00 N ATOM 1222 CA SER A 84 -12.804 -4.451 7.373 1.00 0.00 C ATOM 1223 C SER A 84 -12.805 -3.276 8.346 1.00 0.00 C ATOM 1224 O SER A 84 -13.840 -2.921 8.908 1.00 0.00 O ATOM 1225 CB SER A 84 -13.967 -4.313 6.388 1.00 0.00 C ATOM 1226 OG SER A 84 -13.627 -3.450 5.317 1.00 0.00 O ATOM 0 H SER A 84 -13.691 -6.298 7.821 1.00 0.00 H new ATOM 0 HA SER A 84 -11.865 -4.442 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.236 -5.295 5.997 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.844 -3.926 6.907 1.00 0.00 H new ATOM 0 HG SER A 84 -14.385 -3.379 4.700 1.00 0.00 H new ATOM 1232 N GLY A 85 -11.634 -2.675 8.539 1.00 0.00 N ATOM 1233 CA GLY A 85 -11.520 -1.546 9.444 1.00 0.00 C ATOM 1234 C GLY A 85 -12.037 -0.259 8.833 1.00 0.00 C ATOM 1235 O GLY A 85 -11.717 0.815 9.340 1.00 0.00 O ATOM 0 H GLY A 85 -10.763 -2.950 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.075 -1.759 10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.476 -1.416 9.728 1.00 0.00 H new TER 1239 GLY A 85 HETATM 1240 ZN ZN A 201 5.353 3.860 3.080 1.00 0.00 ZN HETATM 1241 ZN ZN A 401 -7.371 -0.260 -5.850 1.00 0.00 ZN