USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 548 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 4:sc= 1.27 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.991 K(o=2.3,f=0.33) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0421 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 15 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.111) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.412) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.692! C(o=-0.69!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -65.391 -29.112 -8.189 1.00 0.00 N ATOM 2 CA GLY A 1 -64.030 -29.294 -7.719 1.00 0.00 C ATOM 3 C GLY A 1 -63.050 -28.367 -8.410 1.00 0.00 C ATOM 4 O GLY A 1 -62.632 -28.623 -9.539 1.00 0.00 O ATOM 0 H1 GLY A 1 -66.022 -29.768 -7.687 1.00 0.00 H new ATOM 0 H2 GLY A 1 -65.693 -28.134 -8.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 -65.434 -29.304 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -63.994 -29.120 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -63.727 -30.328 -7.885 1.00 0.00 H new ATOM 8 N SER A 2 -62.684 -27.284 -7.731 1.00 0.00 N ATOM 9 CA SER A 2 -61.751 -26.312 -8.288 1.00 0.00 C ATOM 10 C SER A 2 -60.315 -26.817 -8.187 1.00 0.00 C ATOM 11 O SER A 2 -59.541 -26.717 -9.139 1.00 0.00 O ATOM 12 CB SER A 2 -61.884 -24.972 -7.563 1.00 0.00 C ATOM 13 OG SER A 2 -62.866 -24.155 -8.177 1.00 0.00 O ATOM 0 H SER A 2 -63.020 -27.058 -6.795 1.00 0.00 H new ATOM 0 HA SER A 2 -61.996 -26.173 -9.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 -62.150 -25.144 -6.520 1.00 0.00 H new ATOM 0 HB3 SER A 2 -60.924 -24.456 -7.566 1.00 0.00 H new ATOM 0 HG SER A 2 -62.933 -23.305 -7.694 1.00 0.00 H new ATOM 19 N SER A 3 -59.966 -27.360 -7.025 1.00 0.00 N ATOM 20 CA SER A 3 -58.622 -27.878 -6.797 1.00 0.00 C ATOM 21 C SER A 3 -58.072 -28.538 -8.058 1.00 0.00 C ATOM 22 O SER A 3 -58.774 -29.285 -8.737 1.00 0.00 O ATOM 23 CB SER A 3 -58.629 -28.884 -5.643 1.00 0.00 C ATOM 24 OG SER A 3 -59.592 -29.900 -5.859 1.00 0.00 O ATOM 0 H SER A 3 -60.595 -27.453 -6.227 1.00 0.00 H new ATOM 0 HA SER A 3 -57.976 -27.040 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 3 -57.640 -29.331 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 3 -58.844 -28.368 -4.707 1.00 0.00 H new ATOM 0 HG SER A 3 -59.576 -30.531 -5.109 1.00 0.00 H new ATOM 30 N GLY A 4 -56.809 -28.255 -8.364 1.00 0.00 N ATOM 31 CA GLY A 4 -56.186 -28.828 -9.542 1.00 0.00 C ATOM 32 C GLY A 4 -54.690 -29.012 -9.375 1.00 0.00 C ATOM 33 O GLY A 4 -54.231 -29.519 -8.351 1.00 0.00 O ATOM 0 H GLY A 4 -56.207 -27.639 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -56.646 -29.792 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -56.376 -28.183 -10.400 1.00 0.00 H new ATOM 37 N SER A 5 -53.928 -28.602 -10.384 1.00 0.00 N ATOM 38 CA SER A 5 -52.476 -28.730 -10.346 1.00 0.00 C ATOM 39 C SER A 5 -51.853 -27.608 -9.520 1.00 0.00 C ATOM 40 O SER A 5 -52.465 -26.559 -9.317 1.00 0.00 O ATOM 41 CB SER A 5 -51.905 -28.711 -11.765 1.00 0.00 C ATOM 42 OG SER A 5 -51.840 -27.390 -12.272 1.00 0.00 O ATOM 0 H SER A 5 -54.292 -28.178 -11.238 1.00 0.00 H new ATOM 0 HA SER A 5 -52.232 -29.682 -9.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 -50.909 -29.153 -11.765 1.00 0.00 H new ATOM 0 HB3 SER A 5 -52.526 -29.324 -12.418 1.00 0.00 H new ATOM 0 HG SER A 5 -51.470 -27.406 -13.179 1.00 0.00 H new ATOM 48 N SER A 6 -50.633 -27.838 -9.047 1.00 0.00 N ATOM 49 CA SER A 6 -49.927 -26.849 -8.240 1.00 0.00 C ATOM 50 C SER A 6 -49.079 -25.935 -9.119 1.00 0.00 C ATOM 51 O SER A 6 -49.194 -24.712 -9.055 1.00 0.00 O ATOM 52 CB SER A 6 -49.042 -27.544 -7.204 1.00 0.00 C ATOM 53 OG SER A 6 -48.184 -28.490 -7.818 1.00 0.00 O ATOM 0 H SER A 6 -50.112 -28.700 -9.208 1.00 0.00 H new ATOM 0 HA SER A 6 -50.670 -26.240 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 6 -48.448 -26.801 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 6 -49.667 -28.042 -6.463 1.00 0.00 H new ATOM 0 HG SER A 6 -47.628 -28.919 -7.135 1.00 0.00 H new ATOM 59 N GLY A 7 -48.227 -26.539 -9.942 1.00 0.00 N ATOM 60 CA GLY A 7 -47.372 -25.766 -10.823 1.00 0.00 C ATOM 61 C GLY A 7 -45.989 -26.371 -10.967 1.00 0.00 C ATOM 62 O GLY A 7 -45.429 -26.890 -10.002 1.00 0.00 O ATOM 0 H GLY A 7 -48.114 -27.550 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -47.838 -25.695 -11.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -47.283 -24.750 -10.438 1.00 0.00 H new ATOM 66 N MET A 8 -45.439 -26.305 -12.174 1.00 0.00 N ATOM 67 CA MET A 8 -44.113 -26.851 -12.440 1.00 0.00 C ATOM 68 C MET A 8 -43.167 -25.764 -12.940 1.00 0.00 C ATOM 69 O MET A 8 -43.606 -24.725 -13.434 1.00 0.00 O ATOM 70 CB MET A 8 -44.200 -27.980 -13.469 1.00 0.00 C ATOM 71 CG MET A 8 -44.455 -29.346 -12.852 1.00 0.00 C ATOM 72 SD MET A 8 -42.973 -30.065 -12.119 1.00 0.00 S ATOM 73 CE MET A 8 -43.558 -31.709 -11.717 1.00 0.00 C ATOM 0 H MET A 8 -45.890 -25.879 -12.984 1.00 0.00 H new ATOM 0 HA MET A 8 -43.718 -27.250 -11.506 1.00 0.00 H new ATOM 0 HB2 MET A 8 -44.998 -27.755 -14.176 1.00 0.00 H new ATOM 0 HB3 MET A 8 -43.271 -28.015 -14.038 1.00 0.00 H new ATOM 0 HG2 MET A 8 -45.227 -29.257 -12.088 1.00 0.00 H new ATOM 0 HG3 MET A 8 -44.841 -30.020 -13.617 1.00 0.00 H new ATOM 0 HE1 MET A 8 -42.752 -32.279 -11.254 1.00 0.00 H new ATOM 0 HE2 MET A 8 -44.396 -31.638 -11.024 1.00 0.00 H new ATOM 0 HE3 MET A 8 -43.882 -32.213 -12.628 1.00 0.00 H new ATOM 83 N ALA A 9 -41.868 -26.009 -12.809 1.00 0.00 N ATOM 84 CA ALA A 9 -40.861 -25.052 -13.249 1.00 0.00 C ATOM 85 C ALA A 9 -41.017 -24.734 -14.732 1.00 0.00 C ATOM 86 O ALA A 9 -41.286 -25.621 -15.542 1.00 0.00 O ATOM 87 CB ALA A 9 -39.465 -25.586 -12.965 1.00 0.00 C ATOM 0 H ALA A 9 -41.488 -26.863 -12.401 1.00 0.00 H new ATOM 0 HA ALA A 9 -41.005 -24.128 -12.689 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -38.723 -24.861 -13.299 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -39.351 -25.755 -11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -39.319 -26.526 -13.498 1.00 0.00 H new ATOM 93 N SER A 10 -40.847 -23.462 -15.081 1.00 0.00 N ATOM 94 CA SER A 10 -40.973 -23.027 -16.467 1.00 0.00 C ATOM 95 C SER A 10 -39.607 -22.963 -17.143 1.00 0.00 C ATOM 96 O SER A 10 -39.310 -22.024 -17.880 1.00 0.00 O ATOM 97 CB SER A 10 -41.652 -21.657 -16.533 1.00 0.00 C ATOM 98 OG SER A 10 -42.897 -21.672 -15.855 1.00 0.00 O ATOM 0 H SER A 10 -40.622 -22.716 -14.423 1.00 0.00 H new ATOM 0 HA SER A 10 -41.587 -23.756 -16.997 1.00 0.00 H new ATOM 0 HB2 SER A 10 -41.002 -20.903 -16.089 1.00 0.00 H new ATOM 0 HB3 SER A 10 -41.805 -21.373 -17.574 1.00 0.00 H new ATOM 0 HG SER A 10 -43.310 -20.785 -15.910 1.00 0.00 H new ATOM 104 N GLY A 11 -38.778 -23.970 -16.885 1.00 0.00 N ATOM 105 CA GLY A 11 -37.453 -24.010 -17.475 1.00 0.00 C ATOM 106 C GLY A 11 -36.352 -23.954 -16.434 1.00 0.00 C ATOM 107 O GLY A 11 -36.254 -24.833 -15.579 1.00 0.00 O ATOM 0 H GLY A 11 -39.001 -24.759 -16.278 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -37.348 -24.922 -18.062 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -37.340 -23.173 -18.164 1.00 0.00 H new ATOM 111 N GLN A 12 -35.522 -22.919 -16.508 1.00 0.00 N ATOM 112 CA GLN A 12 -34.422 -22.754 -15.566 1.00 0.00 C ATOM 113 C GLN A 12 -34.105 -21.277 -15.352 1.00 0.00 C ATOM 114 O GLN A 12 -33.931 -20.524 -16.310 1.00 0.00 O ATOM 115 CB GLN A 12 -33.177 -23.487 -16.069 1.00 0.00 C ATOM 116 CG GLN A 12 -33.343 -24.997 -16.129 1.00 0.00 C ATOM 117 CD GLN A 12 -32.082 -25.705 -16.583 1.00 0.00 C ATOM 118 OE1 GLN A 12 -31.296 -25.161 -17.359 1.00 0.00 O ATOM 119 NE2 GLN A 12 -31.882 -26.926 -16.100 1.00 0.00 N ATOM 0 H GLN A 12 -35.590 -22.182 -17.210 1.00 0.00 H new ATOM 0 HA GLN A 12 -34.727 -23.183 -14.612 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -32.925 -23.118 -17.063 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -32.337 -23.248 -15.417 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -33.628 -25.367 -15.144 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -34.158 -25.242 -16.810 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -32.560 -27.338 -15.459 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -31.050 -27.451 -16.370 1.00 0.00 H new ATOM 128 N PHE A 13 -34.032 -20.870 -14.089 1.00 0.00 N ATOM 129 CA PHE A 13 -33.737 -19.483 -13.750 1.00 0.00 C ATOM 130 C PHE A 13 -32.605 -19.401 -12.730 1.00 0.00 C ATOM 131 O PHE A 13 -32.806 -19.644 -11.541 1.00 0.00 O ATOM 132 CB PHE A 13 -34.987 -18.794 -13.196 1.00 0.00 C ATOM 133 CG PHE A 13 -36.147 -18.800 -14.151 1.00 0.00 C ATOM 134 CD1 PHE A 13 -36.030 -18.226 -15.406 1.00 0.00 C ATOM 135 CD2 PHE A 13 -37.353 -19.379 -13.792 1.00 0.00 C ATOM 136 CE1 PHE A 13 -37.096 -18.230 -16.287 1.00 0.00 C ATOM 137 CE2 PHE A 13 -38.422 -19.386 -14.668 1.00 0.00 C ATOM 138 CZ PHE A 13 -38.293 -18.810 -15.917 1.00 0.00 C ATOM 0 H PHE A 13 -34.173 -21.480 -13.284 1.00 0.00 H new ATOM 0 HA PHE A 13 -33.421 -18.973 -14.660 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -35.285 -19.288 -12.271 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -34.741 -17.763 -12.941 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -35.096 -17.770 -15.700 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -37.459 -19.830 -12.816 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -36.992 -17.780 -17.263 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -39.357 -19.841 -14.376 1.00 0.00 H new ATOM 0 HZ PHE A 13 -39.127 -18.813 -16.603 1.00 0.00 H new ATOM 148 N VAL A 14 -31.412 -19.057 -13.206 1.00 0.00 N ATOM 149 CA VAL A 14 -30.246 -18.943 -12.338 1.00 0.00 C ATOM 150 C VAL A 14 -30.035 -17.502 -11.888 1.00 0.00 C ATOM 151 O VAL A 14 -29.465 -16.691 -12.617 1.00 0.00 O ATOM 152 CB VAL A 14 -28.971 -19.441 -13.042 1.00 0.00 C ATOM 153 CG1 VAL A 14 -27.760 -19.276 -12.136 1.00 0.00 C ATOM 154 CG2 VAL A 14 -29.131 -20.892 -13.471 1.00 0.00 C ATOM 0 H VAL A 14 -31.228 -18.852 -14.188 1.00 0.00 H new ATOM 0 HA VAL A 14 -30.438 -19.569 -11.466 1.00 0.00 H new ATOM 0 HB VAL A 14 -28.812 -18.837 -13.935 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -26.869 -19.634 -12.651 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -27.635 -18.223 -11.883 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -27.907 -19.853 -11.223 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -28.220 -21.227 -13.967 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -29.316 -21.512 -12.594 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -29.972 -20.977 -14.160 1.00 0.00 H new ATOM 164 N ASN A 15 -30.500 -17.190 -10.683 1.00 0.00 N ATOM 165 CA ASN A 15 -30.362 -15.845 -10.135 1.00 0.00 C ATOM 166 C ASN A 15 -29.036 -15.692 -9.397 1.00 0.00 C ATOM 167 O ASN A 15 -28.973 -15.830 -8.175 1.00 0.00 O ATOM 168 CB ASN A 15 -31.524 -15.535 -9.189 1.00 0.00 C ATOM 169 CG ASN A 15 -32.846 -15.406 -9.921 1.00 0.00 C ATOM 170 OD1 ASN A 15 -33.048 -16.012 -10.973 1.00 0.00 O ATOM 171 ND2 ASN A 15 -33.755 -14.614 -9.364 1.00 0.00 N ATOM 0 H ASN A 15 -30.976 -17.850 -10.067 1.00 0.00 H new ATOM 0 HA ASN A 15 -30.380 -15.138 -10.965 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -31.601 -16.325 -8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -31.316 -14.609 -8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -34.664 -14.489 -9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -33.544 -14.131 -8.491 1.00 0.00 H new ATOM 178 N LYS A 16 -27.977 -15.404 -10.146 1.00 0.00 N ATOM 179 CA LYS A 16 -26.652 -15.229 -9.565 1.00 0.00 C ATOM 180 C LYS A 16 -26.315 -13.749 -9.413 1.00 0.00 C ATOM 181 O LYS A 16 -26.610 -12.941 -10.295 1.00 0.00 O ATOM 182 CB LYS A 16 -25.596 -15.917 -10.434 1.00 0.00 C ATOM 183 CG LYS A 16 -25.597 -17.431 -10.307 1.00 0.00 C ATOM 184 CD LYS A 16 -24.700 -17.895 -9.172 1.00 0.00 C ATOM 185 CE LYS A 16 -24.655 -19.413 -9.083 1.00 0.00 C ATOM 186 NZ LYS A 16 -25.985 -19.989 -8.742 1.00 0.00 N ATOM 0 H LYS A 16 -28.011 -15.287 -11.159 1.00 0.00 H new ATOM 0 HA LYS A 16 -26.654 -15.686 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.764 -15.648 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.611 -15.538 -10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.614 -17.782 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.260 -17.876 -11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -23.692 -17.508 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -25.062 -17.485 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -24.315 -19.822 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.926 -19.711 -8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -25.855 -20.855 -8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -26.531 -19.298 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.499 -20.217 -9.617 1.00 0.00 H new ATOM 200 N LEU A 17 -25.694 -13.401 -8.291 1.00 0.00 N ATOM 201 CA LEU A 17 -25.315 -12.017 -8.025 1.00 0.00 C ATOM 202 C LEU A 17 -23.800 -11.848 -8.076 1.00 0.00 C ATOM 203 O LEU A 17 -23.085 -12.309 -7.187 1.00 0.00 O ATOM 204 CB LEU A 17 -25.844 -11.577 -6.659 1.00 0.00 C ATOM 205 CG LEU A 17 -26.088 -10.078 -6.485 1.00 0.00 C ATOM 206 CD1 LEU A 17 -24.790 -9.302 -6.651 1.00 0.00 C ATOM 207 CD2 LEU A 17 -27.134 -9.589 -7.476 1.00 0.00 C ATOM 0 H LEU A 17 -25.442 -14.057 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.758 -11.389 -8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -26.780 -12.102 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.136 -11.900 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.463 -9.906 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -24.984 -8.237 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -24.070 -9.632 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -24.384 -9.480 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.295 -8.520 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.787 -9.775 -8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -28.070 -10.121 -7.309 1.00 0.00 H new ATOM 219 N GLN A 18 -23.319 -11.183 -9.121 1.00 0.00 N ATOM 220 CA GLN A 18 -21.889 -10.952 -9.287 1.00 0.00 C ATOM 221 C GLN A 18 -21.545 -9.484 -9.056 1.00 0.00 C ATOM 222 O GLN A 18 -21.648 -8.663 -9.967 1.00 0.00 O ATOM 223 CB GLN A 18 -21.440 -11.380 -10.685 1.00 0.00 C ATOM 224 CG GLN A 18 -21.016 -12.838 -10.768 1.00 0.00 C ATOM 225 CD GLN A 18 -20.844 -13.315 -12.196 1.00 0.00 C ATOM 226 OE1 GLN A 18 -21.820 -13.612 -12.886 1.00 0.00 O ATOM 227 NE2 GLN A 18 -19.598 -13.391 -12.649 1.00 0.00 N ATOM 0 H GLN A 18 -23.898 -10.795 -9.865 1.00 0.00 H new ATOM 0 HA GLN A 18 -21.361 -11.551 -8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -22.255 -11.207 -11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.608 -10.750 -10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.078 -12.971 -10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.761 -13.458 -10.269 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -18.819 -13.135 -12.043 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -19.420 -13.705 -13.603 1.00 0.00 H new ATOM 236 N GLU A 19 -21.135 -9.162 -7.833 1.00 0.00 N ATOM 237 CA GLU A 19 -20.776 -7.792 -7.484 1.00 0.00 C ATOM 238 C GLU A 19 -19.379 -7.449 -7.993 1.00 0.00 C ATOM 239 O GLU A 19 -18.377 -7.846 -7.399 1.00 0.00 O ATOM 240 CB GLU A 19 -20.842 -7.595 -5.968 1.00 0.00 C ATOM 241 CG GLU A 19 -20.934 -6.138 -5.548 1.00 0.00 C ATOM 242 CD GLU A 19 -22.358 -5.618 -5.553 1.00 0.00 C ATOM 243 OE1 GLU A 19 -23.117 -5.955 -4.620 1.00 0.00 O ATOM 244 OE2 GLU A 19 -22.713 -4.872 -6.490 1.00 0.00 O ATOM 0 H GLU A 19 -21.043 -9.830 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.492 -7.123 -7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -21.706 -8.132 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -19.957 -8.041 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -20.513 -6.025 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -20.327 -5.531 -6.220 1.00 0.00 H new ATOM 251 N GLU A 20 -19.322 -6.710 -9.096 1.00 0.00 N ATOM 252 CA GLU A 20 -18.048 -6.315 -9.685 1.00 0.00 C ATOM 253 C GLU A 20 -17.011 -6.035 -8.601 1.00 0.00 C ATOM 254 O GLU A 20 -17.290 -5.340 -7.624 1.00 0.00 O ATOM 255 CB GLU A 20 -18.230 -5.076 -10.564 1.00 0.00 C ATOM 256 CG GLU A 20 -19.009 -5.344 -11.841 1.00 0.00 C ATOM 257 CD GLU A 20 -18.113 -5.747 -12.997 1.00 0.00 C ATOM 258 OE1 GLU A 20 -17.411 -4.868 -13.538 1.00 0.00 O ATOM 259 OE2 GLU A 20 -18.115 -6.942 -13.360 1.00 0.00 O ATOM 0 H GLU A 20 -20.142 -6.373 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.690 -7.140 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -18.745 -4.306 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.249 -4.678 -10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.738 -6.134 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.569 -4.450 -12.115 1.00 0.00 H new ATOM 266 N VAL A 21 -15.813 -6.582 -8.782 1.00 0.00 N ATOM 267 CA VAL A 21 -14.733 -6.392 -7.821 1.00 0.00 C ATOM 268 C VAL A 21 -14.714 -4.962 -7.291 1.00 0.00 C ATOM 269 O VAL A 21 -14.864 -4.006 -8.052 1.00 0.00 O ATOM 270 CB VAL A 21 -13.363 -6.714 -8.445 1.00 0.00 C ATOM 271 CG1 VAL A 21 -13.042 -5.735 -9.564 1.00 0.00 C ATOM 272 CG2 VAL A 21 -12.275 -6.696 -7.381 1.00 0.00 C ATOM 0 H VAL A 21 -15.566 -7.160 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.919 -7.080 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.405 -7.716 -8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.070 -5.979 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.807 -5.803 -10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.019 -4.721 -9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.313 -6.926 -7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.231 -5.708 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.500 -7.441 -6.618 1.00 0.00 H new ATOM 282 N ILE A 22 -14.530 -4.824 -5.983 1.00 0.00 N ATOM 283 CA ILE A 22 -14.490 -3.511 -5.351 1.00 0.00 C ATOM 284 C ILE A 22 -13.165 -3.288 -4.631 1.00 0.00 C ATOM 285 O ILE A 22 -12.511 -4.239 -4.201 1.00 0.00 O ATOM 286 CB ILE A 22 -15.644 -3.334 -4.347 1.00 0.00 C ATOM 287 CG1 ILE A 22 -16.985 -3.627 -5.022 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.631 -1.926 -3.769 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.151 -3.666 -4.058 1.00 0.00 C ATOM 0 H ILE A 22 -14.406 -5.606 -5.339 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.596 -2.774 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.508 -4.042 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.175 -2.866 -5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.920 -4.584 -5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.452 -1.816 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.685 -1.752 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.747 -1.201 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.069 -3.878 -4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.983 -4.446 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.242 -2.702 -3.558 1.00 0.00 H new ATOM 301 N CYS A 23 -12.774 -2.024 -4.499 1.00 0.00 N ATOM 302 CA CYS A 23 -11.528 -1.674 -3.829 1.00 0.00 C ATOM 303 C CYS A 23 -11.670 -1.801 -2.315 1.00 0.00 C ATOM 304 O CYS A 23 -12.522 -1.169 -1.691 1.00 0.00 O ATOM 305 CB CYS A 23 -11.111 -0.248 -4.195 1.00 0.00 C ATOM 306 SG CYS A 23 -9.477 0.237 -3.552 1.00 0.00 S ATOM 0 H CYS A 23 -13.303 -1.225 -4.848 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.757 -2.368 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.106 -0.150 -5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.860 0.447 -3.815 1.00 0.00 H new ATOM 311 N PRO A 24 -10.815 -2.639 -1.709 1.00 0.00 N ATOM 312 CA PRO A 24 -10.824 -2.869 -0.262 1.00 0.00 C ATOM 313 C PRO A 24 -10.341 -1.653 0.521 1.00 0.00 C ATOM 314 O PRO A 24 -10.207 -1.704 1.744 1.00 0.00 O ATOM 315 CB PRO A 24 -9.855 -4.040 -0.082 1.00 0.00 C ATOM 316 CG PRO A 24 -8.943 -3.960 -1.257 1.00 0.00 C ATOM 317 CD PRO A 24 -9.773 -3.426 -2.391 1.00 0.00 C ATOM 0 HA PRO A 24 -11.828 -3.068 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.303 -3.957 0.854 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.385 -4.992 -0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.097 -3.304 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.534 -4.941 -1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.181 -2.809 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.203 -4.230 -2.988 1.00 0.00 H new ATOM 325 N ILE A 25 -10.082 -0.561 -0.190 1.00 0.00 N ATOM 326 CA ILE A 25 -9.615 0.668 0.439 1.00 0.00 C ATOM 327 C ILE A 25 -10.722 1.717 0.485 1.00 0.00 C ATOM 328 O ILE A 25 -11.152 2.135 1.560 1.00 0.00 O ATOM 329 CB ILE A 25 -8.399 1.253 -0.302 1.00 0.00 C ATOM 330 CG1 ILE A 25 -7.205 0.301 -0.200 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.043 2.621 0.262 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.965 0.809 -0.902 1.00 0.00 C ATOM 0 H ILE A 25 -10.188 -0.502 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.320 0.410 1.456 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.656 1.371 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.974 0.133 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.483 -0.664 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.181 3.022 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.890 3.296 0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.802 2.527 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.159 0.084 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.179 0.951 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.662 1.759 -0.463 1.00 0.00 H new ATOM 344 N CYS A 26 -11.180 2.137 -0.690 1.00 0.00 N ATOM 345 CA CYS A 26 -12.237 3.136 -0.786 1.00 0.00 C ATOM 346 C CYS A 26 -13.610 2.471 -0.846 1.00 0.00 C ATOM 347 O CYS A 26 -14.631 3.105 -0.580 1.00 0.00 O ATOM 348 CB CYS A 26 -12.028 4.013 -2.021 1.00 0.00 C ATOM 349 SG CYS A 26 -11.806 3.077 -3.569 1.00 0.00 S ATOM 0 H CYS A 26 -10.835 1.801 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.194 3.761 0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.885 4.678 -2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.153 4.644 -1.862 1.00 0.00 H new ATOM 354 N LEU A 27 -13.625 1.190 -1.199 1.00 0.00 N ATOM 355 CA LEU A 27 -14.871 0.438 -1.294 1.00 0.00 C ATOM 356 C LEU A 27 -15.712 0.925 -2.470 1.00 0.00 C ATOM 357 O LEU A 27 -16.923 1.108 -2.346 1.00 0.00 O ATOM 358 CB LEU A 27 -15.668 0.566 0.005 1.00 0.00 C ATOM 359 CG LEU A 27 -14.873 0.395 1.300 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.604 1.043 2.465 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.621 -1.080 1.580 1.00 0.00 C ATOM 0 H LEU A 27 -12.789 0.651 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.622 -0.610 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.143 1.547 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.467 -0.175 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.910 0.892 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.023 0.911 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.732 2.107 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.581 0.576 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.054 -1.183 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.574 -1.600 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.054 -1.515 0.757 1.00 0.00 H new ATOM 373 N ASP A 28 -15.062 1.131 -3.610 1.00 0.00 N ATOM 374 CA ASP A 28 -15.751 1.593 -4.810 1.00 0.00 C ATOM 375 C ASP A 28 -15.517 0.635 -5.974 1.00 0.00 C ATOM 376 O ASP A 28 -14.512 -0.075 -6.013 1.00 0.00 O ATOM 377 CB ASP A 28 -15.277 2.998 -5.186 1.00 0.00 C ATOM 378 CG ASP A 28 -13.933 2.987 -5.887 1.00 0.00 C ATOM 379 OD1 ASP A 28 -13.198 1.989 -5.744 1.00 0.00 O ATOM 380 OD2 ASP A 28 -13.617 3.978 -6.579 1.00 0.00 O ATOM 0 H ASP A 28 -14.059 0.986 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.820 1.623 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.018 3.467 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.209 3.608 -4.286 1.00 0.00 H new ATOM 385 N ILE A 29 -16.451 0.621 -6.918 1.00 0.00 N ATOM 386 CA ILE A 29 -16.346 -0.249 -8.083 1.00 0.00 C ATOM 387 C ILE A 29 -14.990 -0.096 -8.763 1.00 0.00 C ATOM 388 O ILE A 29 -14.755 0.867 -9.495 1.00 0.00 O ATOM 389 CB ILE A 29 -17.458 0.044 -9.107 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.834 -0.143 -8.466 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.308 -0.856 -10.325 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.964 0.452 -9.277 1.00 0.00 C ATOM 0 H ILE A 29 -17.289 1.202 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.456 -1.272 -7.723 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.368 1.080 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.019 -1.208 -8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.829 0.312 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.101 -0.637 -11.039 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.340 -0.678 -10.792 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.375 -1.899 -10.017 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.910 0.282 -8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.802 1.523 -9.395 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.995 -0.020 -10.259 1.00 0.00 H new ATOM 404 N LEU A 30 -14.100 -1.052 -8.519 1.00 0.00 N ATOM 405 CA LEU A 30 -12.767 -1.025 -9.110 1.00 0.00 C ATOM 406 C LEU A 30 -12.846 -0.947 -10.631 1.00 0.00 C ATOM 407 O LEU A 30 -12.921 -1.969 -11.311 1.00 0.00 O ATOM 408 CB LEU A 30 -11.977 -2.267 -8.692 1.00 0.00 C ATOM 409 CG LEU A 30 -11.192 -2.155 -7.385 1.00 0.00 C ATOM 410 CD1 LEU A 30 -10.944 -3.533 -6.792 1.00 0.00 C ATOM 411 CD2 LEU A 30 -9.876 -1.427 -7.614 1.00 0.00 C ATOM 0 H LEU A 30 -14.278 -1.855 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.254 -0.135 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.672 -3.102 -8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.279 -2.515 -9.492 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.785 -1.578 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.384 -3.434 -5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.898 -4.020 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.372 -4.135 -7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.331 -1.357 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.277 -1.977 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.076 -0.425 -7.993 1.00 0.00 H new ATOM 423 N GLN A 31 -12.828 0.274 -11.157 1.00 0.00 N ATOM 424 CA GLN A 31 -12.896 0.485 -12.598 1.00 0.00 C ATOM 425 C GLN A 31 -11.583 0.095 -13.269 1.00 0.00 C ATOM 426 O GLN A 31 -11.577 -0.546 -14.320 1.00 0.00 O ATOM 427 CB GLN A 31 -13.225 1.947 -12.906 1.00 0.00 C ATOM 428 CG GLN A 31 -13.608 2.192 -14.356 1.00 0.00 C ATOM 429 CD GLN A 31 -14.515 3.395 -14.525 1.00 0.00 C ATOM 430 OE1 GLN A 31 -15.182 3.821 -13.582 1.00 0.00 O ATOM 431 NE2 GLN A 31 -14.543 3.951 -15.731 1.00 0.00 N ATOM 0 H GLN A 31 -12.767 1.131 -10.607 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.688 -0.150 -12.995 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.044 2.270 -12.263 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.362 2.565 -12.657 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.704 2.338 -14.947 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.107 1.307 -14.750 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.974 3.565 -16.484 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.134 4.764 -15.904 1.00 0.00 H new ATOM 440 N LYS A 32 -10.472 0.485 -12.654 1.00 0.00 N ATOM 441 CA LYS A 32 -9.151 0.177 -13.190 1.00 0.00 C ATOM 442 C LYS A 32 -8.355 -0.683 -12.213 1.00 0.00 C ATOM 443 O LYS A 32 -7.510 -0.193 -11.464 1.00 0.00 O ATOM 444 CB LYS A 32 -8.386 1.467 -13.491 1.00 0.00 C ATOM 445 CG LYS A 32 -9.086 2.370 -14.492 1.00 0.00 C ATOM 446 CD LYS A 32 -8.573 3.798 -14.410 1.00 0.00 C ATOM 447 CE LYS A 32 -9.203 4.679 -15.477 1.00 0.00 C ATOM 448 NZ LYS A 32 -8.403 5.911 -15.723 1.00 0.00 N ATOM 0 H LYS A 32 -10.460 1.016 -11.783 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.284 -0.383 -14.116 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.237 2.016 -12.561 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.397 1.212 -13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.933 1.985 -15.500 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.160 2.357 -14.306 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.790 4.208 -13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.489 3.803 -14.526 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.296 4.115 -16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.212 4.956 -15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.866 6.485 -16.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.335 6.462 -14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.448 5.647 -16.041 1.00 0.00 H new ATOM 462 N PRO A 33 -8.629 -1.996 -12.220 1.00 0.00 N ATOM 463 CA PRO A 33 -7.947 -2.951 -11.342 1.00 0.00 C ATOM 464 C PRO A 33 -6.486 -3.153 -11.728 1.00 0.00 C ATOM 465 O PRO A 33 -6.184 -3.667 -12.806 1.00 0.00 O ATOM 466 CB PRO A 33 -8.738 -4.246 -11.544 1.00 0.00 C ATOM 467 CG PRO A 33 -9.340 -4.114 -12.900 1.00 0.00 C ATOM 468 CD PRO A 33 -9.624 -2.649 -13.086 1.00 0.00 C ATOM 0 HA PRO A 33 -7.922 -2.608 -10.308 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.089 -5.120 -11.482 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.506 -4.364 -10.780 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.658 -4.480 -13.667 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.254 -4.702 -12.980 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.511 -2.347 -14.127 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.642 -2.396 -12.790 1.00 0.00 H new ATOM 476 N VAL A 34 -5.582 -2.746 -10.843 1.00 0.00 N ATOM 477 CA VAL A 34 -4.152 -2.885 -11.091 1.00 0.00 C ATOM 478 C VAL A 34 -3.545 -3.976 -10.216 1.00 0.00 C ATOM 479 O VAL A 34 -3.697 -3.964 -8.994 1.00 0.00 O ATOM 480 CB VAL A 34 -3.407 -1.561 -10.833 1.00 0.00 C ATOM 481 CG1 VAL A 34 -1.915 -1.733 -11.073 1.00 0.00 C ATOM 482 CG2 VAL A 34 -3.972 -0.453 -11.708 1.00 0.00 C ATOM 0 H VAL A 34 -5.815 -2.317 -9.947 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.038 -3.160 -12.140 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.553 -1.279 -9.790 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.405 -0.788 -10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.524 -2.496 -10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.745 -2.039 -12.105 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.434 0.475 -11.513 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.858 -0.724 -12.758 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.029 -0.314 -11.482 1.00 0.00 H new ATOM 492 N THR A 35 -2.855 -4.920 -10.850 1.00 0.00 N ATOM 493 CA THR A 35 -2.226 -6.019 -10.130 1.00 0.00 C ATOM 494 C THR A 35 -0.774 -5.697 -9.794 1.00 0.00 C ATOM 495 O THR A 35 0.076 -5.621 -10.681 1.00 0.00 O ATOM 496 CB THR A 35 -2.274 -7.325 -10.946 1.00 0.00 C ATOM 497 OG1 THR A 35 -3.632 -7.672 -11.235 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.605 -8.462 -10.187 1.00 0.00 C ATOM 0 H THR A 35 -2.718 -4.945 -11.860 1.00 0.00 H new ATOM 0 HA THR A 35 -2.789 -6.155 -9.206 1.00 0.00 H new ATOM 0 HB THR A 35 -1.734 -7.165 -11.879 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.228 -6.971 -10.896 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.651 -9.374 -10.783 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.563 -8.207 -9.994 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.121 -8.621 -9.240 1.00 0.00 H new ATOM 506 N ILE A 36 -0.497 -5.508 -8.508 1.00 0.00 N ATOM 507 CA ILE A 36 0.852 -5.196 -8.056 1.00 0.00 C ATOM 508 C ILE A 36 1.662 -6.467 -7.823 1.00 0.00 C ATOM 509 O ILE A 36 1.148 -7.577 -7.960 1.00 0.00 O ATOM 510 CB ILE A 36 0.833 -4.368 -6.757 1.00 0.00 C ATOM 511 CG1 ILE A 36 -0.030 -5.057 -5.699 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.321 -2.962 -7.033 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.007 -4.365 -4.355 1.00 0.00 C ATOM 0 H ILE A 36 -1.189 -5.566 -7.761 1.00 0.00 H new ATOM 0 HA ILE A 36 1.321 -4.609 -8.845 1.00 0.00 H new ATOM 0 HB ILE A 36 1.851 -4.295 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.059 -5.105 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.313 -6.084 -5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.313 -2.389 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.973 -2.473 -7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.691 -3.016 -7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.641 -4.909 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.015 -4.340 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.378 -3.346 -4.464 1.00 0.00 H new ATOM 525 N ASP A 37 2.931 -6.296 -7.468 1.00 0.00 N ATOM 526 CA ASP A 37 3.813 -7.430 -7.213 1.00 0.00 C ATOM 527 C ASP A 37 3.153 -8.429 -6.268 1.00 0.00 C ATOM 528 O ASP A 37 3.219 -9.640 -6.483 1.00 0.00 O ATOM 529 CB ASP A 37 5.139 -6.949 -6.622 1.00 0.00 C ATOM 530 CG ASP A 37 6.229 -7.998 -6.717 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.018 -9.121 -6.212 1.00 0.00 O ATOM 532 OD2 ASP A 37 7.293 -7.696 -7.297 1.00 0.00 O ATOM 0 H ASP A 37 3.372 -5.384 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 37 4.007 -7.929 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.460 -6.047 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.990 -6.677 -5.577 1.00 0.00 H new ATOM 537 N CYS A 38 2.517 -7.915 -5.221 1.00 0.00 N ATOM 538 CA CYS A 38 1.846 -8.761 -4.242 1.00 0.00 C ATOM 539 C CYS A 38 0.710 -9.547 -4.890 1.00 0.00 C ATOM 540 O CYS A 38 0.359 -10.637 -4.439 1.00 0.00 O ATOM 541 CB CYS A 38 1.302 -7.912 -3.091 1.00 0.00 C ATOM 542 SG CYS A 38 -0.399 -7.313 -3.348 1.00 0.00 S ATOM 0 H CYS A 38 2.452 -6.915 -5.029 1.00 0.00 H new ATOM 0 HA CYS A 38 2.576 -9.469 -3.849 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.334 -8.500 -2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.959 -7.055 -2.944 1.00 0.00 H new ATOM 547 N GLY A 39 0.140 -8.986 -5.952 1.00 0.00 N ATOM 548 CA GLY A 39 -0.950 -9.648 -6.645 1.00 0.00 C ATOM 549 C GLY A 39 -2.275 -8.936 -6.456 1.00 0.00 C ATOM 550 O GLY A 39 -2.989 -8.670 -7.423 1.00 0.00 O ATOM 0 H GLY A 39 0.413 -8.085 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.719 -9.704 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.037 -10.673 -6.284 1.00 0.00 H new ATOM 554 N HIS A 40 -2.606 -8.627 -5.206 1.00 0.00 N ATOM 555 CA HIS A 40 -3.855 -7.942 -4.893 1.00 0.00 C ATOM 556 C HIS A 40 -4.126 -6.822 -5.893 1.00 0.00 C ATOM 557 O HIS A 40 -3.203 -6.151 -6.353 1.00 0.00 O ATOM 558 CB HIS A 40 -3.808 -7.374 -3.474 1.00 0.00 C ATOM 559 CG HIS A 40 -3.671 -8.423 -2.413 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.054 -8.192 -1.202 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.077 -9.714 -2.387 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.085 -9.296 -0.477 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.700 -10.234 -1.173 1.00 0.00 N ATOM 0 H HIS A 40 -2.027 -8.840 -4.394 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.665 -8.668 -4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.971 -6.680 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.716 -6.800 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.600 -10.237 -3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.677 -9.411 0.516 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.868 -11.190 -0.860 1.00 0.00 H new ATOM 571 N ASN A 41 -5.398 -6.627 -6.225 1.00 0.00 N ATOM 572 CA ASN A 41 -5.790 -5.590 -7.172 1.00 0.00 C ATOM 573 C ASN A 41 -6.395 -4.391 -6.447 1.00 0.00 C ATOM 574 O ASN A 41 -7.278 -4.544 -5.602 1.00 0.00 O ATOM 575 CB ASN A 41 -6.793 -6.146 -8.184 1.00 0.00 C ATOM 576 CG ASN A 41 -6.135 -7.037 -9.221 1.00 0.00 C ATOM 577 OD1 ASN A 41 -5.667 -6.562 -10.256 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.097 -8.336 -8.946 1.00 0.00 N ATOM 0 H ASN A 41 -6.175 -7.173 -5.852 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.896 -5.260 -7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.561 -6.712 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.295 -5.319 -8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.667 -8.985 -9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.498 -8.685 -8.075 1.00 0.00 H new ATOM 585 N PHE A 42 -5.914 -3.199 -6.782 1.00 0.00 N ATOM 586 CA PHE A 42 -6.406 -1.974 -6.163 1.00 0.00 C ATOM 587 C PHE A 42 -6.880 -0.982 -7.221 1.00 0.00 C ATOM 588 O PHE A 42 -6.766 -1.235 -8.421 1.00 0.00 O ATOM 589 CB PHE A 42 -5.312 -1.337 -5.304 1.00 0.00 C ATOM 590 CG PHE A 42 -5.041 -2.082 -4.028 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.780 -1.818 -2.886 1.00 0.00 C ATOM 592 CD2 PHE A 42 -4.047 -3.045 -3.971 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.534 -2.502 -1.711 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.796 -3.732 -2.798 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.540 -3.460 -1.667 1.00 0.00 C ATOM 0 H PHE A 42 -5.183 -3.055 -7.479 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.253 -2.232 -5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.392 -1.281 -5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.600 -0.314 -5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.557 -1.069 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.462 -3.261 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.118 -2.288 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.019 -4.481 -2.766 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.345 -3.995 -0.750 1.00 0.00 H new ATOM 605 N CYS A 43 -7.414 0.147 -6.768 1.00 0.00 N ATOM 606 CA CYS A 43 -7.907 1.178 -7.673 1.00 0.00 C ATOM 607 C CYS A 43 -6.912 2.330 -7.780 1.00 0.00 C ATOM 608 O CYS A 43 -6.374 2.796 -6.775 1.00 0.00 O ATOM 609 CB CYS A 43 -9.261 1.703 -7.192 1.00 0.00 C ATOM 610 SG CYS A 43 -9.149 3.132 -6.068 1.00 0.00 S ATOM 0 H CYS A 43 -7.516 0.371 -5.778 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.027 0.732 -8.660 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.859 1.983 -8.059 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.792 0.897 -6.686 1.00 0.00 H new ATOM 615 N LEU A 44 -6.671 2.784 -9.005 1.00 0.00 N ATOM 616 CA LEU A 44 -5.741 3.882 -9.244 1.00 0.00 C ATOM 617 C LEU A 44 -5.921 4.985 -8.206 1.00 0.00 C ATOM 618 O LEU A 44 -4.994 5.315 -7.467 1.00 0.00 O ATOM 619 CB LEU A 44 -5.943 4.451 -10.650 1.00 0.00 C ATOM 620 CG LEU A 44 -5.155 5.719 -10.981 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.698 5.384 -11.257 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.774 6.436 -12.172 1.00 0.00 C ATOM 0 H LEU A 44 -7.106 2.409 -9.848 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.727 3.491 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.675 3.681 -11.374 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.004 4.661 -10.786 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.197 6.385 -10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.152 6.298 -11.491 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.259 4.915 -10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.636 4.698 -12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.200 7.336 -12.393 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.763 5.776 -13.040 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.803 6.710 -11.937 1.00 0.00 H new ATOM 634 N LYS A 45 -7.122 5.552 -8.155 1.00 0.00 N ATOM 635 CA LYS A 45 -7.427 6.615 -7.206 1.00 0.00 C ATOM 636 C LYS A 45 -6.777 6.341 -5.854 1.00 0.00 C ATOM 637 O LYS A 45 -6.400 7.267 -5.135 1.00 0.00 O ATOM 638 CB LYS A 45 -8.941 6.757 -7.036 1.00 0.00 C ATOM 639 CG LYS A 45 -9.692 6.877 -8.351 1.00 0.00 C ATOM 640 CD LYS A 45 -11.102 7.405 -8.142 1.00 0.00 C ATOM 641 CE LYS A 45 -11.659 8.026 -9.414 1.00 0.00 C ATOM 642 NZ LYS A 45 -12.060 6.992 -10.407 1.00 0.00 N ATOM 0 H LYS A 45 -7.900 5.292 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.023 7.547 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.319 5.894 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.149 7.637 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.149 7.543 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.736 5.902 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.752 6.592 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.099 8.148 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.521 8.646 -9.168 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.909 8.682 -9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.434 7.456 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.233 6.416 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.794 6.381 -9.995 1.00 0.00 H new ATOM 656 N CYS A 46 -6.647 5.063 -5.513 1.00 0.00 N ATOM 657 CA CYS A 46 -6.042 4.666 -4.248 1.00 0.00 C ATOM 658 C CYS A 46 -4.543 4.430 -4.413 1.00 0.00 C ATOM 659 O CYS A 46 -3.724 5.174 -3.872 1.00 0.00 O ATOM 660 CB CYS A 46 -6.712 3.399 -3.713 1.00 0.00 C ATOM 661 SG CYS A 46 -8.130 3.716 -2.614 1.00 0.00 S ATOM 0 H CYS A 46 -6.953 4.284 -6.096 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.189 5.476 -3.534 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -7.047 2.794 -4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.971 2.810 -3.172 1.00 0.00 H new ATOM 666 N ILE A 47 -4.192 3.391 -5.162 1.00 0.00 N ATOM 667 CA ILE A 47 -2.793 3.058 -5.399 1.00 0.00 C ATOM 668 C ILE A 47 -1.948 4.318 -5.560 1.00 0.00 C ATOM 669 O ILE A 47 -0.773 4.343 -5.190 1.00 0.00 O ATOM 670 CB ILE A 47 -2.627 2.179 -6.653 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.348 0.843 -6.464 1.00 0.00 C ATOM 672 CG2 ILE A 47 -1.153 1.954 -6.952 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.402 0.003 -7.721 1.00 0.00 C ATOM 0 H ILE A 47 -4.857 2.765 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.450 2.501 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.074 2.695 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.847 0.276 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.365 1.033 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.053 1.331 -7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.666 2.914 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.682 1.456 -6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.927 -0.929 -7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.930 0.550 -8.502 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.388 -0.218 -8.055 1.00 0.00 H new ATOM 685 N THR A 48 -2.554 5.364 -6.114 1.00 0.00 N ATOM 686 CA THR A 48 -1.859 6.627 -6.323 1.00 0.00 C ATOM 687 C THR A 48 -1.865 7.475 -5.056 1.00 0.00 C ATOM 688 O THR A 48 -0.876 8.132 -4.734 1.00 0.00 O ATOM 689 CB THR A 48 -2.494 7.435 -7.470 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.455 6.676 -8.684 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.768 8.756 -7.669 1.00 0.00 C ATOM 0 H THR A 48 -3.525 5.360 -6.426 1.00 0.00 H new ATOM 0 HA THR A 48 -0.831 6.381 -6.587 1.00 0.00 H new ATOM 0 HB THR A 48 -3.530 7.645 -7.206 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.862 7.196 -9.408 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.235 9.309 -8.484 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.825 9.344 -6.753 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.723 8.564 -7.913 1.00 0.00 H new ATOM 699 N GLN A 49 -2.985 7.454 -4.341 1.00 0.00 N ATOM 700 CA GLN A 49 -3.118 8.221 -3.108 1.00 0.00 C ATOM 701 C GLN A 49 -2.195 7.675 -2.024 1.00 0.00 C ATOM 702 O GLN A 49 -1.591 8.437 -1.268 1.00 0.00 O ATOM 703 CB GLN A 49 -4.568 8.195 -2.621 1.00 0.00 C ATOM 704 CG GLN A 49 -4.866 7.055 -1.660 1.00 0.00 C ATOM 705 CD GLN A 49 -6.263 7.133 -1.077 1.00 0.00 C ATOM 706 OE1 GLN A 49 -7.111 7.880 -1.566 1.00 0.00 O ATOM 707 NE2 GLN A 49 -6.511 6.360 -0.026 1.00 0.00 N ATOM 0 H GLN A 49 -3.813 6.915 -4.594 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.831 9.251 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.795 9.142 -2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.231 8.116 -3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.746 6.105 -2.181 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.137 7.068 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.779 5.756 0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.434 6.370 0.408 1.00 0.00 H new ATOM 716 N ILE A 50 -2.090 6.352 -1.955 1.00 0.00 N ATOM 717 CA ILE A 50 -1.239 5.705 -0.964 1.00 0.00 C ATOM 718 C ILE A 50 0.057 6.482 -0.760 1.00 0.00 C ATOM 719 O ILE A 50 0.446 6.778 0.369 1.00 0.00 O ATOM 720 CB ILE A 50 -0.900 4.259 -1.371 1.00 0.00 C ATOM 721 CG1 ILE A 50 -2.181 3.448 -1.571 1.00 0.00 C ATOM 722 CG2 ILE A 50 -0.012 3.608 -0.321 1.00 0.00 C ATOM 723 CD1 ILE A 50 -3.045 3.368 -0.332 1.00 0.00 C ATOM 0 H ILE A 50 -2.583 5.708 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.800 5.688 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.356 4.281 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.760 3.893 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.917 2.438 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.219 2.586 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.913 4.176 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.531 3.595 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.936 2.778 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.483 2.896 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.340 4.373 -0.028 1.00 0.00 H new ATOM 735 N GLY A 51 0.723 6.812 -1.864 1.00 0.00 N ATOM 736 CA GLY A 51 1.968 7.553 -1.785 1.00 0.00 C ATOM 737 C GLY A 51 2.342 8.199 -3.105 1.00 0.00 C ATOM 738 O GLY A 51 1.537 8.235 -4.035 1.00 0.00 O ATOM 0 H GLY A 51 0.422 6.579 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.881 8.323 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.768 6.882 -1.473 1.00 0.00 H new ATOM 742 N GLU A 52 3.565 8.712 -3.185 1.00 0.00 N ATOM 743 CA GLU A 52 4.042 9.362 -4.400 1.00 0.00 C ATOM 744 C GLU A 52 4.347 8.332 -5.484 1.00 0.00 C ATOM 745 O GLU A 52 4.936 7.285 -5.215 1.00 0.00 O ATOM 746 CB GLU A 52 5.293 10.192 -4.104 1.00 0.00 C ATOM 747 CG GLU A 52 5.017 11.433 -3.272 1.00 0.00 C ATOM 748 CD GLU A 52 4.006 12.358 -3.922 1.00 0.00 C ATOM 749 OE1 GLU A 52 4.194 12.704 -5.106 1.00 0.00 O ATOM 750 OE2 GLU A 52 3.027 12.735 -3.244 1.00 0.00 O ATOM 0 H GLU A 52 4.243 8.690 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 52 3.254 10.022 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.018 9.568 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.752 10.491 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.651 11.133 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.950 11.974 -3.113 1.00 0.00 H new ATOM 757 N THR A 53 3.941 8.637 -6.713 1.00 0.00 N ATOM 758 CA THR A 53 4.168 7.739 -7.838 1.00 0.00 C ATOM 759 C THR A 53 5.586 7.883 -8.379 1.00 0.00 C ATOM 760 O THR A 53 6.293 6.893 -8.564 1.00 0.00 O ATOM 761 CB THR A 53 3.166 8.003 -8.978 1.00 0.00 C ATOM 762 OG1 THR A 53 3.316 9.343 -9.462 1.00 0.00 O ATOM 763 CG2 THR A 53 1.737 7.787 -8.504 1.00 0.00 C ATOM 0 H THR A 53 3.453 9.500 -6.954 1.00 0.00 H new ATOM 0 HA THR A 53 4.025 6.724 -7.467 1.00 0.00 H new ATOM 0 HB THR A 53 3.374 7.300 -9.785 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.677 9.502 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.048 7.979 -9.326 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.618 6.758 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.520 8.468 -7.681 1.00 0.00 H new ATOM 771 N SER A 54 5.996 9.122 -8.630 1.00 0.00 N ATOM 772 CA SER A 54 7.329 9.395 -9.153 1.00 0.00 C ATOM 773 C SER A 54 8.400 8.766 -8.266 1.00 0.00 C ATOM 774 O SER A 54 8.554 9.138 -7.102 1.00 0.00 O ATOM 775 CB SER A 54 7.560 10.904 -9.258 1.00 0.00 C ATOM 776 OG SER A 54 6.584 11.512 -10.086 1.00 0.00 O ATOM 0 H SER A 54 5.424 9.953 -8.479 1.00 0.00 H new ATOM 0 HA SER A 54 7.399 8.954 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.528 11.350 -8.264 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.554 11.096 -9.661 1.00 0.00 H new ATOM 0 HG SER A 54 6.752 12.476 -10.136 1.00 0.00 H new ATOM 782 N CYS A 55 9.136 7.812 -8.824 1.00 0.00 N ATOM 783 CA CYS A 55 10.192 7.130 -8.084 1.00 0.00 C ATOM 784 C CYS A 55 9.780 6.903 -6.634 1.00 0.00 C ATOM 785 O CYS A 55 10.514 7.248 -5.708 1.00 0.00 O ATOM 786 CB CYS A 55 11.487 7.941 -8.139 1.00 0.00 C ATOM 787 SG CYS A 55 12.986 6.954 -7.926 1.00 0.00 S ATOM 0 H CYS A 55 9.021 7.493 -9.786 1.00 0.00 H new ATOM 0 HA CYS A 55 10.360 6.159 -8.550 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.539 8.458 -9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.456 8.707 -7.364 1.00 0.00 H new ATOM 0 HG CYS A 55 14.028 7.728 -7.990 1.00 0.00 H new ATOM 793 N GLY A 56 8.600 6.321 -6.443 1.00 0.00 N ATOM 794 CA GLY A 56 8.110 6.060 -5.102 1.00 0.00 C ATOM 795 C GLY A 56 7.535 4.665 -4.956 1.00 0.00 C ATOM 796 O GLY A 56 6.520 4.336 -5.571 1.00 0.00 O ATOM 0 H GLY A 56 7.975 6.026 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.924 6.190 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.344 6.794 -4.849 1.00 0.00 H new ATOM 800 N PHE A 57 8.185 3.841 -4.141 1.00 0.00 N ATOM 801 CA PHE A 57 7.734 2.472 -3.919 1.00 0.00 C ATOM 802 C PHE A 57 6.859 2.384 -2.673 1.00 0.00 C ATOM 803 O PHE A 57 7.331 2.582 -1.553 1.00 0.00 O ATOM 804 CB PHE A 57 8.935 1.533 -3.781 1.00 0.00 C ATOM 805 CG PHE A 57 9.669 1.687 -2.479 1.00 0.00 C ATOM 806 CD1 PHE A 57 10.547 2.741 -2.284 1.00 0.00 C ATOM 807 CD2 PHE A 57 9.482 0.777 -1.451 1.00 0.00 C ATOM 808 CE1 PHE A 57 11.224 2.886 -1.088 1.00 0.00 C ATOM 809 CE2 PHE A 57 10.156 0.917 -0.253 1.00 0.00 C ATOM 810 CZ PHE A 57 11.029 1.972 -0.071 1.00 0.00 C ATOM 0 H PHE A 57 9.026 4.097 -3.623 1.00 0.00 H new ATOM 0 HA PHE A 57 7.140 2.167 -4.781 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.593 0.502 -3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.627 1.717 -4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.704 3.458 -3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.802 -0.051 -1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.905 3.713 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.000 0.202 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.558 2.082 0.864 1.00 0.00 H new ATOM 820 N PHE A 58 5.580 2.085 -2.875 1.00 0.00 N ATOM 821 CA PHE A 58 4.636 1.972 -1.769 1.00 0.00 C ATOM 822 C PHE A 58 4.326 0.509 -1.467 1.00 0.00 C ATOM 823 O PHE A 58 4.429 -0.353 -2.340 1.00 0.00 O ATOM 824 CB PHE A 58 3.343 2.722 -2.094 1.00 0.00 C ATOM 825 CG PHE A 58 2.351 1.900 -2.865 1.00 0.00 C ATOM 826 CD1 PHE A 58 2.457 1.772 -4.241 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.311 1.256 -2.214 1.00 0.00 C ATOM 828 CE1 PHE A 58 1.545 1.016 -4.953 1.00 0.00 C ATOM 829 CE2 PHE A 58 0.397 0.498 -2.921 1.00 0.00 C ATOM 830 CZ PHE A 58 0.513 0.379 -4.292 1.00 0.00 C ATOM 0 H PHE A 58 5.173 1.916 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 58 5.094 2.419 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.882 3.055 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.586 3.616 -2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.262 2.269 -4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.214 1.347 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.639 0.923 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.408 -0.001 -2.402 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.202 -0.211 -4.846 1.00 0.00 H new ATOM 840 N LYS A 59 3.947 0.235 -0.223 1.00 0.00 N ATOM 841 CA LYS A 59 3.620 -1.122 0.197 1.00 0.00 C ATOM 842 C LYS A 59 2.114 -1.361 0.144 1.00 0.00 C ATOM 843 O LYS A 59 1.325 -0.416 0.167 1.00 0.00 O ATOM 844 CB LYS A 59 4.138 -1.378 1.615 1.00 0.00 C ATOM 845 CG LYS A 59 3.536 -0.452 2.658 1.00 0.00 C ATOM 846 CD LYS A 59 2.135 -0.890 3.051 1.00 0.00 C ATOM 847 CE LYS A 59 1.792 -0.454 4.467 1.00 0.00 C ATOM 848 NZ LYS A 59 1.232 0.926 4.502 1.00 0.00 N ATOM 0 H LYS A 59 3.859 0.936 0.513 1.00 0.00 H new ATOM 0 HA LYS A 59 4.104 -1.815 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.923 -2.411 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.222 -1.265 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.174 -0.434 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.504 0.565 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.411 -0.468 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.056 -1.974 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.071 -1.150 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.687 -0.499 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.011 1.186 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.930 1.594 4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.364 0.963 3.931 1.00 0.00 H new ATOM 862 N CYS A 60 1.723 -2.629 0.074 1.00 0.00 N ATOM 863 CA CYS A 60 0.313 -2.992 0.018 1.00 0.00 C ATOM 864 C CYS A 60 -0.339 -2.855 1.391 1.00 0.00 C ATOM 865 O CYS A 60 0.173 -3.340 2.400 1.00 0.00 O ATOM 866 CB CYS A 60 0.154 -4.426 -0.493 1.00 0.00 C ATOM 867 SG CYS A 60 -1.578 -4.968 -0.660 1.00 0.00 S ATOM 0 H CYS A 60 2.364 -3.422 0.055 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.185 -2.310 -0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.645 -4.512 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.671 -5.102 0.188 1.00 0.00 H new ATOM 872 N PRO A 61 -1.496 -2.177 1.432 1.00 0.00 N ATOM 873 CA PRO A 61 -2.243 -1.961 2.674 1.00 0.00 C ATOM 874 C PRO A 61 -2.864 -3.246 3.209 1.00 0.00 C ATOM 875 O PRO A 61 -3.237 -3.328 4.380 1.00 0.00 O ATOM 876 CB PRO A 61 -3.336 -0.970 2.263 1.00 0.00 C ATOM 877 CG PRO A 61 -3.518 -1.193 0.801 1.00 0.00 C ATOM 878 CD PRO A 61 -2.164 -1.572 0.268 1.00 0.00 C ATOM 0 HA PRO A 61 -1.601 -1.600 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.261 -1.152 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.038 0.057 2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.246 -1.983 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.892 -0.293 0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.241 -2.275 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.620 -0.703 -0.101 1.00 0.00 H new ATOM 886 N LEU A 62 -2.973 -4.249 2.345 1.00 0.00 N ATOM 887 CA LEU A 62 -3.549 -5.533 2.731 1.00 0.00 C ATOM 888 C LEU A 62 -2.472 -6.476 3.259 1.00 0.00 C ATOM 889 O LEU A 62 -2.589 -7.015 4.359 1.00 0.00 O ATOM 890 CB LEU A 62 -4.264 -6.173 1.539 1.00 0.00 C ATOM 891 CG LEU A 62 -5.623 -5.575 1.172 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.000 -5.944 -0.254 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.692 -6.045 2.147 1.00 0.00 C ATOM 0 H LEU A 62 -2.670 -4.198 1.372 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.272 -5.355 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.611 -6.103 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.401 -7.234 1.750 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.551 -4.489 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.970 -5.510 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.247 -5.558 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.054 -7.029 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.653 -5.610 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.763 -7.132 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.428 -5.730 3.156 1.00 0.00 H new ATOM 905 N CYS A 63 -1.422 -6.669 2.467 1.00 0.00 N ATOM 906 CA CYS A 63 -0.323 -7.545 2.854 1.00 0.00 C ATOM 907 C CYS A 63 0.991 -6.773 2.918 1.00 0.00 C ATOM 908 O CYS A 63 1.434 -6.196 1.924 1.00 0.00 O ATOM 909 CB CYS A 63 -0.198 -8.708 1.867 1.00 0.00 C ATOM 910 SG CYS A 63 0.298 -8.206 0.187 1.00 0.00 S ATOM 0 H CYS A 63 -1.310 -6.230 1.553 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.539 -7.942 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.531 -9.421 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.154 -9.228 1.812 1.00 0.00 H new ATOM 915 N LYS A 64 1.612 -6.767 4.093 1.00 0.00 N ATOM 916 CA LYS A 64 2.876 -6.068 4.287 1.00 0.00 C ATOM 917 C LYS A 64 4.043 -6.896 3.757 1.00 0.00 C ATOM 918 O LYS A 64 5.070 -7.038 4.421 1.00 0.00 O ATOM 919 CB LYS A 64 3.089 -5.760 5.771 1.00 0.00 C ATOM 920 CG LYS A 64 2.355 -4.518 6.245 1.00 0.00 C ATOM 921 CD LYS A 64 3.066 -3.248 5.806 1.00 0.00 C ATOM 922 CE LYS A 64 4.119 -2.821 6.817 1.00 0.00 C ATOM 923 NZ LYS A 64 4.889 -1.636 6.348 1.00 0.00 N ATOM 0 H LYS A 64 1.260 -7.239 4.926 1.00 0.00 H new ATOM 0 HA LYS A 64 2.834 -5.132 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.759 -6.615 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.156 -5.635 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.339 -4.522 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.275 -4.534 7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.536 -3.410 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.337 -2.448 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.637 -2.589 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.803 -3.649 7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.772 -1.559 6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.112 -1.745 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.321 -0.776 6.486 1.00 0.00 H new ATOM 937 N THR A 65 3.878 -7.440 2.555 1.00 0.00 N ATOM 938 CA THR A 65 4.917 -8.253 1.936 1.00 0.00 C ATOM 939 C THR A 65 5.894 -7.389 1.146 1.00 0.00 C ATOM 940 O THR A 65 5.566 -6.272 0.746 1.00 0.00 O ATOM 941 CB THR A 65 4.315 -9.315 0.997 1.00 0.00 C ATOM 942 OG1 THR A 65 5.349 -10.167 0.493 1.00 0.00 O ATOM 943 CG2 THR A 65 3.582 -8.658 -0.163 1.00 0.00 C ATOM 0 H THR A 65 3.035 -7.332 1.991 1.00 0.00 H new ATOM 0 HA THR A 65 5.450 -8.753 2.745 1.00 0.00 H new ATOM 0 HB THR A 65 3.602 -9.910 1.567 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.957 -10.840 -0.102 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.165 -9.428 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.776 -8.033 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.279 -8.042 -0.731 1.00 0.00 H new ATOM 951 N SER A 66 7.096 -7.913 0.926 1.00 0.00 N ATOM 952 CA SER A 66 8.122 -7.187 0.187 1.00 0.00 C ATOM 953 C SER A 66 7.622 -6.803 -1.202 1.00 0.00 C ATOM 954 O SER A 66 7.599 -7.628 -2.117 1.00 0.00 O ATOM 955 CB SER A 66 9.390 -8.035 0.068 1.00 0.00 C ATOM 956 OG SER A 66 9.893 -8.382 1.347 1.00 0.00 O ATOM 0 H SER A 66 7.383 -8.837 1.249 1.00 0.00 H new ATOM 0 HA SER A 66 8.353 -6.274 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.174 -8.940 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.149 -7.484 -0.488 1.00 0.00 H new ATOM 0 HG SER A 66 10.702 -8.925 1.244 1.00 0.00 H new ATOM 962 N VAL A 67 7.221 -5.545 -1.353 1.00 0.00 N ATOM 963 CA VAL A 67 6.722 -5.049 -2.631 1.00 0.00 C ATOM 964 C VAL A 67 7.264 -3.656 -2.929 1.00 0.00 C ATOM 965 O VAL A 67 7.246 -2.774 -2.070 1.00 0.00 O ATOM 966 CB VAL A 67 5.183 -5.005 -2.652 1.00 0.00 C ATOM 967 CG1 VAL A 67 4.606 -6.408 -2.531 1.00 0.00 C ATOM 968 CG2 VAL A 67 4.660 -4.107 -1.541 1.00 0.00 C ATOM 0 H VAL A 67 7.232 -4.850 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 67 7.069 -5.742 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 67 4.862 -4.587 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.517 -6.356 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.953 -7.017 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.934 -6.857 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.571 -4.088 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.990 -4.492 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.045 -3.096 -1.679 1.00 0.00 H new ATOM 978 N ARG A 68 7.745 -3.464 -4.153 1.00 0.00 N ATOM 979 CA ARG A 68 8.293 -2.177 -4.565 1.00 0.00 C ATOM 980 C ARG A 68 7.883 -1.846 -5.997 1.00 0.00 C ATOM 981 O ARG A 68 7.929 -2.700 -6.882 1.00 0.00 O ATOM 982 CB ARG A 68 9.818 -2.188 -4.450 1.00 0.00 C ATOM 983 CG ARG A 68 10.320 -2.193 -3.015 1.00 0.00 C ATOM 984 CD ARG A 68 11.821 -2.427 -2.951 1.00 0.00 C ATOM 985 NE ARG A 68 12.567 -1.402 -3.676 1.00 0.00 N ATOM 986 CZ ARG A 68 13.823 -1.071 -3.397 1.00 0.00 C ATOM 987 NH1 ARG A 68 14.470 -1.681 -2.414 1.00 0.00 N ATOM 988 NH2 ARG A 68 14.434 -0.127 -4.102 1.00 0.00 N ATOM 0 H ARG A 68 7.766 -4.183 -4.876 1.00 0.00 H new ATOM 0 HA ARG A 68 7.891 -1.410 -3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.207 -3.067 -4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.219 -1.314 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.078 -1.242 -2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.805 -2.971 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.142 -2.440 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.053 -3.407 -3.368 1.00 0.00 H new ATOM 0 HE ARG A 68 12.098 -0.913 -4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.004 -2.407 -1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.434 -1.425 -2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.939 0.345 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 68 15.398 0.126 -3.887 1.00 0.00 H new ATOM 1002 N LYS A 69 7.481 -0.598 -6.218 1.00 0.00 N ATOM 1003 CA LYS A 69 7.063 -0.152 -7.542 1.00 0.00 C ATOM 1004 C LYS A 69 7.969 -0.733 -8.623 1.00 0.00 C ATOM 1005 O LYS A 69 7.494 -1.221 -9.648 1.00 0.00 O ATOM 1006 CB LYS A 69 7.079 1.377 -7.615 1.00 0.00 C ATOM 1007 CG LYS A 69 6.302 1.937 -8.794 1.00 0.00 C ATOM 1008 CD LYS A 69 6.001 3.415 -8.612 1.00 0.00 C ATOM 1009 CE LYS A 69 5.038 3.923 -9.674 1.00 0.00 C ATOM 1010 NZ LYS A 69 5.710 4.104 -10.991 1.00 0.00 N ATOM 0 H LYS A 69 7.436 0.122 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 69 6.047 -0.508 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.664 1.781 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.112 1.719 -7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.874 1.791 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.369 1.386 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.574 3.581 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.929 3.985 -8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.212 3.220 -9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.609 4.872 -9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.020 4.451 -11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.482 4.794 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.097 3.193 -11.311 1.00 0.00 H new ATOM 1024 N ASN A 70 9.276 -0.677 -8.386 1.00 0.00 N ATOM 1025 CA ASN A 70 10.248 -1.199 -9.340 1.00 0.00 C ATOM 1026 C ASN A 70 10.692 -2.605 -8.950 1.00 0.00 C ATOM 1027 O ASN A 70 11.655 -2.779 -8.203 1.00 0.00 O ATOM 1028 CB ASN A 70 11.463 -0.272 -9.420 1.00 0.00 C ATOM 1029 CG ASN A 70 12.226 -0.205 -8.111 1.00 0.00 C ATOM 1030 OD1 ASN A 70 11.647 0.050 -7.055 1.00 0.00 O ATOM 1031 ND2 ASN A 70 13.532 -0.435 -8.175 1.00 0.00 N ATOM 0 H ASN A 70 9.686 -0.276 -7.543 1.00 0.00 H new ATOM 0 HA ASN A 70 9.770 -1.247 -10.319 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.130 -0.619 -10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.135 0.730 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.097 -0.404 -7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.970 -0.643 -9.073 1.00 0.00 H new ATOM 1038 N ALA A 71 9.984 -3.607 -9.462 1.00 0.00 N ATOM 1039 CA ALA A 71 10.306 -4.998 -9.170 1.00 0.00 C ATOM 1040 C ALA A 71 10.456 -5.808 -10.453 1.00 0.00 C ATOM 1041 O ALA A 71 9.524 -6.490 -10.880 1.00 0.00 O ATOM 1042 CB ALA A 71 9.236 -5.611 -8.278 1.00 0.00 C ATOM 0 H ALA A 71 9.183 -3.481 -10.081 1.00 0.00 H new ATOM 0 HA ALA A 71 11.260 -5.022 -8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.489 -6.650 -8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.180 -5.055 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.272 -5.568 -8.784 1.00 0.00 H new ATOM 1048 N ILE A 72 11.633 -5.727 -11.064 1.00 0.00 N ATOM 1049 CA ILE A 72 11.904 -6.453 -12.298 1.00 0.00 C ATOM 1050 C ILE A 72 12.659 -7.749 -12.019 1.00 0.00 C ATOM 1051 O ILE A 72 13.463 -7.823 -11.090 1.00 0.00 O ATOM 1052 CB ILE A 72 12.721 -5.599 -13.286 1.00 0.00 C ATOM 1053 CG1 ILE A 72 14.064 -5.208 -12.667 1.00 0.00 C ATOM 1054 CG2 ILE A 72 11.936 -4.360 -13.689 1.00 0.00 C ATOM 1055 CD1 ILE A 72 15.074 -4.711 -13.678 1.00 0.00 C ATOM 0 H ILE A 72 12.414 -5.166 -10.724 1.00 0.00 H new ATOM 0 HA ILE A 72 10.938 -6.687 -12.745 1.00 0.00 H new ATOM 0 HB ILE A 72 12.914 -6.190 -14.181 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.898 -4.432 -11.920 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.479 -6.070 -12.145 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.526 -3.767 -14.387 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.003 -4.660 -14.166 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.716 -3.765 -12.803 1.00 0.00 H new ATOM 0 HD11 ILE A 72 16.002 -4.452 -13.168 1.00 0.00 H new ATOM 0 HD12 ILE A 72 15.269 -5.493 -14.412 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.679 -3.829 -14.183 1.00 0.00 H new ATOM 1067 N ARG A 73 12.395 -8.767 -12.832 1.00 0.00 N ATOM 1068 CA ARG A 73 13.050 -10.060 -12.673 1.00 0.00 C ATOM 1069 C ARG A 73 13.230 -10.748 -14.023 1.00 0.00 C ATOM 1070 O ARG A 73 12.269 -11.238 -14.614 1.00 0.00 O ATOM 1071 CB ARG A 73 12.236 -10.956 -11.737 1.00 0.00 C ATOM 1072 CG ARG A 73 12.517 -10.711 -10.264 1.00 0.00 C ATOM 1073 CD ARG A 73 11.590 -11.528 -9.377 1.00 0.00 C ATOM 1074 NE ARG A 73 10.183 -11.287 -9.686 1.00 0.00 N ATOM 1075 CZ ARG A 73 9.519 -11.932 -10.638 1.00 0.00 C ATOM 1076 NH1 ARG A 73 10.130 -12.854 -11.369 1.00 0.00 N ATOM 1077 NH2 ARG A 73 8.240 -11.657 -10.860 1.00 0.00 N ATOM 0 H ARG A 73 11.733 -8.721 -13.607 1.00 0.00 H new ATOM 0 HA ARG A 73 14.034 -9.889 -12.237 1.00 0.00 H new ATOM 0 HB2 ARG A 73 11.175 -10.797 -11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 73 12.449 -11.999 -11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 73 13.553 -10.967 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.396 -9.651 -10.041 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.812 -12.588 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.779 -11.282 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 73 9.683 -10.585 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.113 -13.070 -11.201 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.617 -13.348 -12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.766 -10.949 -10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.731 -12.153 -11.592 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.570 2.562 -3.898 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.251 -7.243 -1.158 1.00 0.00 ZN