USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 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 Set 1.1: A 68 ASN : amide:sc= 1.16 K(o=2.3,f=-4.2!) USER MOD Set 1.2: A 71 THR OG1 : rot 60:sc= 1.19 USER MOD Set 2.1: A 37 CYS SG : rot 171:sc= 0.258 USER MOD Set 2.2: A 40 CYS SG : rot 84:sc= 0.334 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0.676 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 159:sc= 0.762 (180deg=0) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -154:sc= 2.17 (180deg=0.935) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0.814 USER MOD Single : A 9 THR OG1 : rot -33:sc= -0.163 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -148:sc= 0.786 USER MOD Single : A 24 SER OG : rot 170:sc= -0.0124 USER MOD Single : A 25 ASN : amide:sc=-0.00841 K(o=-0.0084,f=-1.6) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 79:sc= 0.713 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.946) USER MOD Single : A 67 THR OG1 : rot -32:sc= 0.22 USER MOD Single : A 74 ASN : amide:sc= 0.726 K(o=0.73,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.24) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.781 K(o=0.78,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 2.07 (180deg=2) USER MOD Single : A 99 LYS NZ :NH3+ 177:sc= 0.961 (180deg=0.956) USER MOD Single : A 101 LYS NZ :NH3+ 150:sc= 2.42 (180deg=1.79) USER MOD Single : A 109 SER OG : rot 40:sc= 0.689 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 2.681 -0.907 10.531 1.00 0.00 N ATOM 115 CA THR A 9 1.581 -0.880 9.547 1.00 0.00 C ATOM 116 C THR A 9 0.200 -0.838 10.208 1.00 0.00 C ATOM 117 O THR A 9 0.032 -1.230 11.366 1.00 0.00 O ATOM 118 CB THR A 9 1.630 -2.062 8.562 1.00 0.00 C ATOM 119 OG1 THR A 9 1.631 -3.308 9.222 1.00 0.00 O ATOM 120 CG2 THR A 9 2.842 -2.020 7.641 1.00 0.00 C ATOM 0 HA THR A 9 1.733 0.044 8.989 1.00 0.00 H new ATOM 0 HB THR A 9 0.724 -1.957 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.105 -3.226 10.076 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.820 -2.879 6.971 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.822 -1.102 7.054 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.754 -2.049 8.238 1.00 0.00 H new ATOM 128 N ILE A 10 -0.805 -0.382 9.450 1.00 0.00 N ATOM 129 CA ILE A 10 -2.233 -0.434 9.815 1.00 0.00 C ATOM 130 C ILE A 10 -3.037 -1.276 8.810 1.00 0.00 C ATOM 131 O ILE A 10 -2.679 -1.360 7.634 1.00 0.00 O ATOM 132 CB ILE A 10 -2.830 0.986 9.992 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.763 1.824 8.695 1.00 0.00 C ATOM 134 CG2 ILE A 10 -2.140 1.702 11.168 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.498 3.169 8.772 1.00 0.00 C ATOM 0 H ILE A 10 -0.646 0.047 8.538 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.307 -0.930 10.783 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.890 0.876 10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.717 2.009 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.184 1.240 7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.564 2.699 11.286 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.295 1.131 12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.072 1.784 10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.401 3.692 7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.553 2.996 8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.063 3.776 9.566 1.00 0.00 H new ATOM 147 N LYS A 11 -4.146 -1.877 9.257 1.00 0.00 N ATOM 148 CA LYS A 11 -5.117 -2.577 8.393 1.00 0.00 C ATOM 149 C LYS A 11 -6.293 -1.651 8.073 1.00 0.00 C ATOM 150 O LYS A 11 -6.835 -1.019 8.983 1.00 0.00 O ATOM 151 CB LYS A 11 -5.592 -3.881 9.057 1.00 0.00 C ATOM 152 CG LYS A 11 -4.454 -4.895 9.254 1.00 0.00 C ATOM 153 CD LYS A 11 -4.976 -6.179 9.915 1.00 0.00 C ATOM 154 CE LYS A 11 -3.823 -7.155 10.171 1.00 0.00 C ATOM 155 NZ LYS A 11 -4.292 -8.387 10.855 1.00 0.00 N ATOM 0 H LYS A 11 -4.402 -1.894 10.244 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.630 -2.846 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.039 -3.650 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.373 -4.332 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.003 -5.134 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.671 -4.455 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.471 -5.936 10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.722 -6.648 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.353 -7.420 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.061 -6.668 10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.486 -9.025 11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.718 -8.135 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.001 -8.865 10.262 1.00 0.00 H new ATOM 169 N VAL A 12 -6.688 -1.567 6.800 1.00 0.00 N ATOM 170 CA VAL A 12 -7.756 -0.664 6.315 1.00 0.00 C ATOM 171 C VAL A 12 -8.688 -1.357 5.320 1.00 0.00 C ATOM 172 O VAL A 12 -8.258 -2.244 4.586 1.00 0.00 O ATOM 173 CB VAL A 12 -7.181 0.630 5.694 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.366 1.420 6.725 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.300 0.387 4.459 1.00 0.00 C ATOM 0 H VAL A 12 -6.273 -2.131 6.058 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.342 -0.390 7.192 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.052 1.200 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.973 2.325 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.006 1.690 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.539 0.807 7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.934 1.341 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.454 -0.243 4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.886 -0.110 3.686 1.00 0.00 H new ATOM 185 N THR A 13 -9.956 -0.940 5.277 1.00 0.00 N ATOM 186 CA THR A 13 -10.993 -1.431 4.346 1.00 0.00 C ATOM 187 C THR A 13 -11.898 -0.290 3.864 1.00 0.00 C ATOM 188 O THR A 13 -11.931 0.787 4.462 1.00 0.00 O ATOM 189 CB THR A 13 -11.872 -2.531 4.973 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.515 -2.051 6.138 1.00 0.00 O ATOM 191 CG2 THR A 13 -11.090 -3.789 5.351 1.00 0.00 C ATOM 0 H THR A 13 -10.309 -0.224 5.911 1.00 0.00 H new ATOM 0 HA THR A 13 -10.455 -1.856 3.498 1.00 0.00 H new ATOM 0 HB THR A 13 -12.598 -2.797 4.205 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.070 -2.762 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.769 -4.522 5.787 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.625 -4.210 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.318 -3.533 6.077 1.00 0.00 H new ATOM 199 N ASP A 14 -12.667 -0.528 2.800 1.00 0.00 N ATOM 200 CA ASP A 14 -13.561 0.431 2.129 1.00 0.00 C ATOM 201 C ASP A 14 -14.538 1.170 3.071 1.00 0.00 C ATOM 202 O ASP A 14 -14.887 2.325 2.815 1.00 0.00 O ATOM 203 CB ASP A 14 -14.332 -0.345 1.046 1.00 0.00 C ATOM 204 CG ASP A 14 -15.300 0.551 0.257 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.828 1.361 -0.576 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.533 0.429 0.455 1.00 0.00 O ATOM 0 H ASP A 14 -12.687 -1.445 2.355 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.945 1.224 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.622 -0.803 0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.891 -1.156 1.513 1.00 0.00 H new ATOM 211 N ALA A 15 -14.926 0.553 4.193 1.00 0.00 N ATOM 212 CA ALA A 15 -15.797 1.158 5.206 1.00 0.00 C ATOM 213 C ALA A 15 -15.157 2.345 5.968 1.00 0.00 C ATOM 214 O ALA A 15 -15.886 3.189 6.499 1.00 0.00 O ATOM 215 CB ALA A 15 -16.223 0.046 6.174 1.00 0.00 C ATOM 0 H ALA A 15 -14.638 -0.397 4.426 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.656 1.595 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.874 0.462 6.943 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.759 -0.728 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.339 -0.387 6.642 1.00 0.00 H new ATOM 221 N SER A 16 -13.819 2.432 6.007 1.00 0.00 N ATOM 222 CA SER A 16 -13.050 3.435 6.773 1.00 0.00 C ATOM 223 C SER A 16 -11.887 4.071 5.991 1.00 0.00 C ATOM 224 O SER A 16 -11.207 4.955 6.506 1.00 0.00 O ATOM 225 CB SER A 16 -12.516 2.810 8.071 1.00 0.00 C ATOM 226 OG SER A 16 -13.571 2.283 8.867 1.00 0.00 O ATOM 0 H SER A 16 -13.220 1.788 5.491 1.00 0.00 H new ATOM 0 HA SER A 16 -13.750 4.242 6.991 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.809 2.016 7.830 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.969 3.562 8.640 1.00 0.00 H new ATOM 0 HG SER A 16 -13.199 1.891 9.685 1.00 0.00 H new ATOM 232 N PHE A 17 -11.666 3.670 4.734 1.00 0.00 N ATOM 233 CA PHE A 17 -10.560 4.089 3.860 1.00 0.00 C ATOM 234 C PHE A 17 -10.439 5.617 3.738 1.00 0.00 C ATOM 235 O PHE A 17 -9.347 6.178 3.851 1.00 0.00 O ATOM 236 CB PHE A 17 -10.823 3.445 2.487 1.00 0.00 C ATOM 237 CG PHE A 17 -9.606 3.282 1.606 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.197 4.326 0.758 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.912 2.057 1.599 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.088 4.149 -0.087 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.820 1.874 0.735 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.402 2.924 -0.101 1.00 0.00 C ATOM 0 H PHE A 17 -12.288 3.007 4.272 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.610 3.762 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.271 2.464 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.558 4.050 1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.734 5.263 0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.219 1.258 2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.763 4.956 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.302 0.927 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.553 2.788 -0.754 1.00 0.00 H new ATOM 252 N ALA A 18 -11.566 6.316 3.592 1.00 0.00 N ATOM 253 CA ALA A 18 -11.568 7.772 3.498 1.00 0.00 C ATOM 254 C ALA A 18 -11.159 8.465 4.816 1.00 0.00 C ATOM 255 O ALA A 18 -10.522 9.519 4.790 1.00 0.00 O ATOM 256 CB ALA A 18 -12.933 8.230 2.982 1.00 0.00 C ATOM 0 H ALA A 18 -12.492 5.892 3.536 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.801 8.078 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.948 9.317 2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.115 7.796 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.711 7.903 3.672 1.00 0.00 H new ATOM 262 N THR A 19 -11.486 7.857 5.961 1.00 0.00 N ATOM 263 CA THR A 19 -11.111 8.322 7.310 1.00 0.00 C ATOM 264 C THR A 19 -9.666 7.959 7.686 1.00 0.00 C ATOM 265 O THR A 19 -9.027 8.694 8.440 1.00 0.00 O ATOM 266 CB THR A 19 -12.081 7.740 8.360 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.422 7.891 7.930 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.980 8.431 9.721 1.00 0.00 C ATOM 0 H THR A 19 -12.037 6.999 5.980 1.00 0.00 H new ATOM 0 HA THR A 19 -11.179 9.410 7.298 1.00 0.00 H new ATOM 0 HB THR A 19 -11.798 6.693 8.465 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.026 7.516 8.605 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.687 7.975 10.414 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.968 8.321 10.111 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.212 9.490 9.609 1.00 0.00 H new ATOM 276 N ASP A 20 -9.133 6.847 7.167 1.00 0.00 N ATOM 277 CA ASP A 20 -7.832 6.295 7.575 1.00 0.00 C ATOM 278 C ASP A 20 -6.660 6.688 6.658 1.00 0.00 C ATOM 279 O ASP A 20 -5.567 6.960 7.161 1.00 0.00 O ATOM 280 CB ASP A 20 -7.919 4.761 7.660 1.00 0.00 C ATOM 281 CG ASP A 20 -8.800 4.231 8.807 1.00 0.00 C ATOM 282 OD1 ASP A 20 -8.935 4.904 9.856 1.00 0.00 O ATOM 283 OD2 ASP A 20 -9.311 3.093 8.680 1.00 0.00 O ATOM 0 H ASP A 20 -9.597 6.297 6.444 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.618 6.732 8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.307 4.379 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.913 4.359 7.777 1.00 0.00 H new ATOM 288 N VAL A 21 -6.858 6.685 5.332 1.00 0.00 N ATOM 289 CA VAL A 21 -5.766 6.814 4.340 1.00 0.00 C ATOM 290 C VAL A 21 -5.936 7.962 3.342 1.00 0.00 C ATOM 291 O VAL A 21 -4.931 8.545 2.933 1.00 0.00 O ATOM 292 CB VAL A 21 -5.483 5.476 3.623 1.00 0.00 C ATOM 293 CG1 VAL A 21 -4.837 4.477 4.590 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.725 4.811 3.034 1.00 0.00 C ATOM 0 H VAL A 21 -7.782 6.593 4.910 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.889 7.082 4.929 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.816 5.732 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.644 3.539 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.897 4.886 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.510 4.295 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.442 3.877 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.439 4.603 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.182 5.477 2.302 1.00 0.00 H new ATOM 304 N LEU A 22 -7.169 8.356 2.992 1.00 0.00 N ATOM 305 CA LEU A 22 -7.412 9.584 2.206 1.00 0.00 C ATOM 306 C LEU A 22 -7.387 10.869 3.060 1.00 0.00 C ATOM 307 O LEU A 22 -7.353 11.973 2.516 1.00 0.00 O ATOM 308 CB LEU A 22 -8.728 9.494 1.409 1.00 0.00 C ATOM 309 CG LEU A 22 -8.917 8.239 0.537 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.222 8.346 -0.252 1.00 0.00 C ATOM 311 CD2 LEU A 22 -7.777 8.052 -0.464 1.00 0.00 C ATOM 0 H LEU A 22 -8.016 7.845 3.239 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.581 9.654 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.558 9.549 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.798 10.371 0.765 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.934 7.385 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.350 7.455 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.060 8.432 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.189 9.227 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.956 7.154 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.727 8.918 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.834 7.951 0.073 1.00 0.00 H new ATOM 323 N SER A 23 -7.428 10.743 4.388 1.00 0.00 N ATOM 324 CA SER A 23 -7.628 11.857 5.329 1.00 0.00 C ATOM 325 C SER A 23 -6.406 12.763 5.543 1.00 0.00 C ATOM 326 O SER A 23 -6.568 13.900 5.995 1.00 0.00 O ATOM 327 CB SER A 23 -8.071 11.285 6.678 1.00 0.00 C ATOM 328 OG SER A 23 -7.111 10.357 7.157 1.00 0.00 O ATOM 0 H SER A 23 -7.321 9.842 4.855 1.00 0.00 H new ATOM 0 HA SER A 23 -8.387 12.496 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.198 12.092 7.399 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.039 10.796 6.573 1.00 0.00 H new ATOM 0 HG SER A 23 -7.562 9.658 7.676 1.00 0.00 H new ATOM 334 N SER A 24 -5.190 12.285 5.248 1.00 0.00 N ATOM 335 CA SER A 24 -3.938 12.949 5.642 1.00 0.00 C ATOM 336 C SER A 24 -3.270 13.753 4.522 1.00 0.00 C ATOM 337 O SER A 24 -3.219 13.319 3.369 1.00 0.00 O ATOM 338 CB SER A 24 -2.961 11.939 6.239 1.00 0.00 C ATOM 339 OG SER A 24 -1.958 12.648 6.945 1.00 0.00 O ATOM 0 H SER A 24 -5.045 11.421 4.726 1.00 0.00 H new ATOM 0 HA SER A 24 -4.218 13.681 6.399 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.484 11.256 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.513 11.333 5.451 1.00 0.00 H new ATOM 0 HG SER A 24 -1.418 12.018 7.466 1.00 0.00 H new ATOM 345 N ASN A 25 -2.704 14.914 4.875 1.00 0.00 N ATOM 346 CA ASN A 25 -1.845 15.729 4.002 1.00 0.00 C ATOM 347 C ASN A 25 -0.373 15.253 3.980 1.00 0.00 C ATOM 348 O ASN A 25 0.380 15.620 3.073 1.00 0.00 O ATOM 349 CB ASN A 25 -1.992 17.219 4.374 1.00 0.00 C ATOM 350 CG ASN A 25 -1.454 17.611 5.746 1.00 0.00 C ATOM 351 OD1 ASN A 25 -1.106 16.792 6.585 1.00 0.00 O ATOM 352 ND2 ASN A 25 -1.385 18.892 6.029 1.00 0.00 N ATOM 0 H ASN A 25 -2.833 15.325 5.800 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.186 15.599 2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.481 17.816 3.619 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.048 17.484 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.044 19.195 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.673 19.583 5.337 1.00 0.00 H new ATOM 359 N LYS A 26 0.022 14.388 4.924 1.00 0.00 N ATOM 360 CA LYS A 26 1.240 13.561 4.864 1.00 0.00 C ATOM 361 C LYS A 26 1.076 12.498 3.758 1.00 0.00 C ATOM 362 O LYS A 26 -0.061 12.090 3.499 1.00 0.00 O ATOM 363 CB LYS A 26 1.424 12.919 6.256 1.00 0.00 C ATOM 364 CG LYS A 26 2.627 11.979 6.403 1.00 0.00 C ATOM 365 CD LYS A 26 2.606 11.270 7.762 1.00 0.00 C ATOM 366 CE LYS A 26 3.645 10.148 7.750 1.00 0.00 C ATOM 367 NZ LYS A 26 3.592 9.339 8.992 1.00 0.00 N ATOM 0 H LYS A 26 -0.513 14.238 5.779 1.00 0.00 H new ATOM 0 HA LYS A 26 2.123 14.151 4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.517 13.716 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.520 12.362 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.615 11.239 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.552 12.547 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.825 11.979 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.614 10.864 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.474 9.503 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.641 10.575 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.522 8.908 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.339 9.951 9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.878 8.590 8.888 1.00 0.00 H new ATOM 381 N PRO A 27 2.151 12.006 3.108 1.00 0.00 N ATOM 382 CA PRO A 27 2.024 10.881 2.187 1.00 0.00 C ATOM 383 C PRO A 27 1.598 9.600 2.925 1.00 0.00 C ATOM 384 O PRO A 27 2.157 9.260 3.971 1.00 0.00 O ATOM 385 CB PRO A 27 3.379 10.724 1.492 1.00 0.00 C ATOM 386 CG PRO A 27 4.158 11.994 1.845 1.00 0.00 C ATOM 387 CD PRO A 27 3.520 12.489 3.140 1.00 0.00 C ATOM 0 HA PRO A 27 1.243 11.066 1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.900 9.832 1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.259 10.622 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.219 11.784 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.080 12.740 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.051 12.105 4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.551 13.577 3.202 1.00 0.00 H new ATOM 395 N VAL A 28 0.628 8.865 2.380 1.00 0.00 N ATOM 396 CA VAL A 28 0.093 7.634 2.979 1.00 0.00 C ATOM 397 C VAL A 28 -0.054 6.566 1.894 1.00 0.00 C ATOM 398 O VAL A 28 -0.710 6.773 0.874 1.00 0.00 O ATOM 399 CB VAL A 28 -1.223 7.901 3.740 1.00 0.00 C ATOM 400 CG1 VAL A 28 -1.775 6.598 4.328 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.037 8.892 4.897 1.00 0.00 C ATOM 0 H VAL A 28 0.182 9.109 1.496 1.00 0.00 H new ATOM 0 HA VAL A 28 0.793 7.260 3.726 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.915 8.327 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.703 6.804 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.969 5.889 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.046 6.173 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.991 9.047 5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.313 8.491 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.675 9.843 4.507 1.00 0.00 H new ATOM 411 N LEU A 29 0.614 5.435 2.102 1.00 0.00 N ATOM 412 CA LEU A 29 0.824 4.345 1.152 1.00 0.00 C ATOM 413 C LEU A 29 -0.093 3.171 1.514 1.00 0.00 C ATOM 414 O LEU A 29 -0.117 2.748 2.668 1.00 0.00 O ATOM 415 CB LEU A 29 2.318 3.969 1.230 1.00 0.00 C ATOM 416 CG LEU A 29 2.922 3.248 0.015 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.389 2.953 0.316 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.263 1.908 -0.320 1.00 0.00 C ATOM 0 H LEU A 29 1.054 5.242 3.002 1.00 0.00 H new ATOM 0 HA LEU A 29 0.577 4.632 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.888 4.882 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.462 3.336 2.105 1.00 0.00 H new ATOM 0 HG LEU A 29 2.770 3.912 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.839 2.440 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.918 3.888 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.459 2.319 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.752 1.470 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.360 1.232 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.207 2.066 -0.539 1.00 0.00 H new ATOM 430 N VAL A 30 -0.831 2.630 0.546 1.00 0.00 N ATOM 431 CA VAL A 30 -1.711 1.470 0.726 1.00 0.00 C ATOM 432 C VAL A 30 -1.300 0.320 -0.199 1.00 0.00 C ATOM 433 O VAL A 30 -1.208 0.491 -1.416 1.00 0.00 O ATOM 434 CB VAL A 30 -3.189 1.849 0.538 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.076 0.722 1.080 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.569 3.148 1.262 1.00 0.00 C ATOM 0 H VAL A 30 -0.836 2.992 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.598 1.123 1.753 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.342 2.002 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.125 0.989 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.865 -0.200 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.870 0.575 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.624 3.364 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.389 3.035 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.964 3.969 0.877 1.00 0.00 H new ATOM 446 N ASP A 31 -1.063 -0.858 0.378 1.00 0.00 N ATOM 447 CA ASP A 31 -0.706 -2.094 -0.326 1.00 0.00 C ATOM 448 C ASP A 31 -1.892 -3.072 -0.414 1.00 0.00 C ATOM 449 O ASP A 31 -2.419 -3.529 0.603 1.00 0.00 O ATOM 450 CB ASP A 31 0.514 -2.730 0.356 1.00 0.00 C ATOM 451 CG ASP A 31 0.782 -4.151 -0.164 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.869 -4.326 -1.401 1.00 0.00 O ATOM 453 OD2 ASP A 31 0.899 -5.076 0.671 1.00 0.00 O ATOM 0 H ASP A 31 -1.116 -0.984 1.389 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.446 -1.849 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.392 -2.108 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.353 -2.762 1.434 1.00 0.00 H new ATOM 458 N PHE A 32 -2.283 -3.406 -1.644 1.00 0.00 N ATOM 459 CA PHE A 32 -3.308 -4.387 -2.006 1.00 0.00 C ATOM 460 C PHE A 32 -2.621 -5.696 -2.423 1.00 0.00 C ATOM 461 O PHE A 32 -1.917 -5.754 -3.437 1.00 0.00 O ATOM 462 CB PHE A 32 -4.199 -3.820 -3.123 1.00 0.00 C ATOM 463 CG PHE A 32 -4.918 -2.527 -2.770 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.225 -1.299 -2.754 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.295 -2.542 -2.480 1.00 0.00 C ATOM 466 CE1 PHE A 32 -4.897 -0.109 -2.430 1.00 0.00 C ATOM 467 CE2 PHE A 32 -6.966 -1.349 -2.163 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.269 -0.132 -2.139 1.00 0.00 C ATOM 0 H PHE A 32 -1.866 -2.971 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.953 -4.599 -1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.585 -3.648 -4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.942 -4.571 -3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.172 -1.273 -2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.839 -3.475 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.356 0.826 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.022 -1.369 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.787 0.784 -1.897 1.00 0.00 H new ATOM 478 N TRP A 33 -2.804 -6.742 -1.618 1.00 0.00 N ATOM 479 CA TRP A 33 -2.049 -8.000 -1.690 1.00 0.00 C ATOM 480 C TRP A 33 -2.932 -9.219 -1.373 1.00 0.00 C ATOM 481 O TRP A 33 -4.102 -9.060 -1.027 1.00 0.00 O ATOM 482 CB TRP A 33 -0.861 -7.905 -0.717 1.00 0.00 C ATOM 483 CG TRP A 33 -1.208 -8.035 0.736 1.00 0.00 C ATOM 484 CD1 TRP A 33 -1.867 -7.113 1.473 1.00 0.00 C ATOM 485 CD2 TRP A 33 -0.948 -9.152 1.644 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.116 -7.612 2.735 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.568 -8.865 2.899 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.249 -10.375 1.538 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.539 -9.763 3.975 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.192 -11.271 2.621 1.00 0.00 C ATOM 491 CH2 TRP A 33 -0.854 -10.980 3.826 1.00 0.00 C ATOM 0 H TRP A 33 -3.502 -6.741 -0.874 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.687 -8.144 -2.708 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.141 -8.683 -0.972 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.363 -6.947 -0.870 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.156 -6.132 1.126 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.640 -7.116 3.456 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.249 -10.626 0.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.035 -9.523 4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.366 -12.191 2.526 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.836 -11.692 4.638 1.00 0.00 H new ATOM 502 N ALA A 34 -2.391 -10.437 -1.458 1.00 0.00 N ATOM 503 CA ALA A 34 -3.031 -11.626 -0.885 1.00 0.00 C ATOM 504 C ALA A 34 -2.022 -12.608 -0.289 1.00 0.00 C ATOM 505 O ALA A 34 -0.965 -12.859 -0.874 1.00 0.00 O ATOM 506 CB ALA A 34 -3.871 -12.343 -1.947 1.00 0.00 C ATOM 0 H ALA A 34 -1.503 -10.627 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.671 -11.276 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.340 -13.223 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.643 -11.668 -2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.229 -12.649 -2.773 1.00 0.00 H new ATOM 512 N THR A 35 -2.394 -13.253 0.818 1.00 0.00 N ATOM 513 CA THR A 35 -1.603 -14.341 1.419 1.00 0.00 C ATOM 514 C THR A 35 -1.469 -15.573 0.502 1.00 0.00 C ATOM 515 O THR A 35 -0.502 -16.328 0.615 1.00 0.00 O ATOM 516 CB THR A 35 -2.152 -14.693 2.812 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.194 -15.437 3.539 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.458 -15.489 2.779 1.00 0.00 C ATOM 0 H THR A 35 -3.252 -13.040 1.327 1.00 0.00 H new ATOM 0 HA THR A 35 -0.584 -13.975 1.542 1.00 0.00 H new ATOM 0 HB THR A 35 -2.363 -13.739 3.294 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.552 -15.655 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.782 -15.699 3.798 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.225 -14.908 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.299 -16.428 2.248 1.00 0.00 H new ATOM 526 N TRP A 36 -2.377 -15.747 -0.471 1.00 0.00 N ATOM 527 CA TRP A 36 -2.309 -16.804 -1.492 1.00 0.00 C ATOM 528 C TRP A 36 -1.416 -16.484 -2.708 1.00 0.00 C ATOM 529 O TRP A 36 -1.243 -17.344 -3.575 1.00 0.00 O ATOM 530 CB TRP A 36 -3.732 -17.237 -1.895 1.00 0.00 C ATOM 531 CG TRP A 36 -4.743 -16.198 -2.313 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.873 -15.918 -1.621 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.813 -15.354 -3.517 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.659 -15.038 -2.326 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.045 -14.622 -3.481 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.975 -15.110 -4.630 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.422 -13.712 -4.477 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.324 -14.160 -5.614 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.549 -13.473 -5.547 1.00 0.00 C ATOM 0 H TRP A 36 -3.195 -15.145 -0.572 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.798 -17.647 -1.027 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.635 -17.946 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.156 -17.783 -1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.121 -16.328 -0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.585 -14.732 -2.027 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.051 -15.661 -4.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.372 -13.202 -4.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.643 -13.959 -6.427 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.816 -12.764 -6.317 1.00 0.00 H new ATOM 550 N CYS A 37 -0.837 -15.280 -2.799 1.00 0.00 N ATOM 551 CA CYS A 37 -0.070 -14.818 -3.963 1.00 0.00 C ATOM 552 C CYS A 37 1.449 -14.788 -3.686 1.00 0.00 C ATOM 553 O CYS A 37 1.923 -14.061 -2.812 1.00 0.00 O ATOM 554 CB CYS A 37 -0.644 -13.456 -4.374 1.00 0.00 C ATOM 555 SG CYS A 37 0.173 -12.815 -5.864 1.00 0.00 S ATOM 0 H CYS A 37 -0.889 -14.587 -2.052 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.173 -15.517 -4.793 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.714 -13.551 -4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.522 -12.746 -3.556 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.463 -11.764 -6.290 1.00 0.00 H new ATOM 561 N GLY A 38 2.233 -15.546 -4.459 1.00 0.00 N ATOM 562 CA GLY A 38 3.697 -15.621 -4.314 1.00 0.00 C ATOM 563 C GLY A 38 4.428 -14.289 -4.564 1.00 0.00 C ATOM 564 O GLY A 38 5.226 -13.881 -3.719 1.00 0.00 O ATOM 0 H GLY A 38 1.870 -16.132 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.933 -15.968 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.081 -16.369 -5.008 1.00 0.00 H new ATOM 568 N PRO A 39 4.122 -13.540 -5.643 1.00 0.00 N ATOM 569 CA PRO A 39 4.630 -12.178 -5.834 1.00 0.00 C ATOM 570 C PRO A 39 4.246 -11.201 -4.709 1.00 0.00 C ATOM 571 O PRO A 39 5.047 -10.330 -4.364 1.00 0.00 O ATOM 572 CB PRO A 39 4.083 -11.732 -7.191 1.00 0.00 C ATOM 573 CG PRO A 39 3.953 -13.046 -7.960 1.00 0.00 C ATOM 574 CD PRO A 39 3.517 -14.028 -6.875 1.00 0.00 C ATOM 0 HA PRO A 39 5.720 -12.175 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.123 -11.226 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.759 -11.038 -7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.218 -12.975 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.897 -13.342 -8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.431 -14.064 -6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.853 -15.040 -7.103 1.00 0.00 H new ATOM 582 N CYS A 40 3.079 -11.371 -4.072 1.00 0.00 N ATOM 583 CA CYS A 40 2.735 -10.616 -2.861 1.00 0.00 C ATOM 584 C CYS A 40 3.661 -10.978 -1.693 1.00 0.00 C ATOM 585 O CYS A 40 4.219 -10.079 -1.069 1.00 0.00 O ATOM 586 CB CYS A 40 1.271 -10.823 -2.465 1.00 0.00 C ATOM 587 SG CYS A 40 0.170 -10.045 -3.675 1.00 0.00 S ATOM 0 H CYS A 40 2.358 -12.025 -4.376 1.00 0.00 H new ATOM 0 HA CYS A 40 2.876 -9.561 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.053 -11.889 -2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.092 -10.399 -1.477 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.017 -10.854 -4.675 1.00 0.00 H new ATOM 593 N LYS A 41 3.898 -12.273 -1.436 1.00 0.00 N ATOM 594 CA LYS A 41 4.858 -12.737 -0.412 1.00 0.00 C ATOM 595 C LYS A 41 6.282 -12.235 -0.676 1.00 0.00 C ATOM 596 O LYS A 41 7.007 -11.966 0.278 1.00 0.00 O ATOM 597 CB LYS A 41 4.846 -14.276 -0.332 1.00 0.00 C ATOM 598 CG LYS A 41 3.532 -14.874 0.188 1.00 0.00 C ATOM 599 CD LYS A 41 3.352 -14.687 1.699 1.00 0.00 C ATOM 600 CE LYS A 41 2.006 -15.293 2.092 1.00 0.00 C ATOM 601 NZ LYS A 41 1.733 -15.164 3.543 1.00 0.00 N ATOM 0 H LYS A 41 3.431 -13.033 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 41 4.539 -12.318 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.048 -14.681 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.660 -14.600 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.695 -14.409 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.504 -15.938 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.162 -15.173 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.384 -13.629 1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.211 -14.802 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.989 -16.347 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.711 -15.249 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.234 -15.916 4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.063 -14.236 3.877 1.00 0.00 H new ATOM 615 N MET A 42 6.665 -12.063 -1.944 1.00 0.00 N ATOM 616 CA MET A 42 7.966 -11.529 -2.363 1.00 0.00 C ATOM 617 C MET A 42 8.114 -10.028 -2.057 1.00 0.00 C ATOM 618 O MET A 42 9.110 -9.632 -1.449 1.00 0.00 O ATOM 619 CB MET A 42 8.186 -11.856 -3.851 1.00 0.00 C ATOM 620 CG MET A 42 9.622 -11.613 -4.332 1.00 0.00 C ATOM 621 SD MET A 42 10.072 -9.883 -4.658 1.00 0.00 S ATOM 622 CE MET A 42 11.805 -10.104 -5.140 1.00 0.00 C ATOM 0 H MET A 42 6.061 -12.298 -2.732 1.00 0.00 H new ATOM 0 HA MET A 42 8.750 -12.012 -1.779 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.926 -12.900 -4.026 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.505 -11.252 -4.451 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.307 -12.011 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.780 -12.187 -5.245 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.243 -9.135 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.356 -10.560 -4.318 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.859 -10.751 -6.016 1.00 0.00 H new ATOM 632 N VAL A 43 7.125 -9.193 -2.413 1.00 0.00 N ATOM 633 CA VAL A 43 7.185 -7.732 -2.173 1.00 0.00 C ATOM 634 C VAL A 43 6.806 -7.325 -0.743 1.00 0.00 C ATOM 635 O VAL A 43 7.254 -6.282 -0.268 1.00 0.00 O ATOM 636 CB VAL A 43 6.370 -6.965 -3.233 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.857 -7.037 -3.018 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.780 -5.490 -3.328 1.00 0.00 C ATOM 0 H VAL A 43 6.267 -9.502 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 43 8.231 -7.446 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 43 6.605 -7.474 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.351 -6.474 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.534 -8.077 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.607 -6.611 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.177 -4.993 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.621 -5.005 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.834 -5.422 -3.599 1.00 0.00 H new ATOM 648 N ALA A 44 6.039 -8.154 -0.023 1.00 0.00 N ATOM 649 CA ALA A 44 5.612 -7.899 1.352 1.00 0.00 C ATOM 650 C ALA A 44 6.757 -7.475 2.297 1.00 0.00 C ATOM 651 O ALA A 44 6.639 -6.389 2.860 1.00 0.00 O ATOM 652 CB ALA A 44 4.835 -9.105 1.895 1.00 0.00 C ATOM 0 H ALA A 44 5.692 -9.039 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 44 4.948 -7.035 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.522 -8.905 2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.956 -9.281 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.474 -9.988 1.877 1.00 0.00 H new ATOM 658 N PRO A 45 7.883 -8.210 2.448 1.00 0.00 N ATOM 659 CA PRO A 45 8.989 -7.784 3.313 1.00 0.00 C ATOM 660 C PRO A 45 9.666 -6.483 2.848 1.00 0.00 C ATOM 661 O PRO A 45 10.190 -5.745 3.682 1.00 0.00 O ATOM 662 CB PRO A 45 9.974 -8.955 3.344 1.00 0.00 C ATOM 663 CG PRO A 45 9.707 -9.676 2.029 1.00 0.00 C ATOM 664 CD PRO A 45 8.202 -9.498 1.852 1.00 0.00 C ATOM 0 HA PRO A 45 8.613 -7.545 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.006 -8.610 3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.799 -9.605 4.201 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.267 -9.236 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.988 -10.728 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.927 -9.520 0.798 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.653 -10.302 2.341 1.00 0.00 H new ATOM 672 N VAL A 46 9.629 -6.159 1.548 1.00 0.00 N ATOM 673 CA VAL A 46 10.184 -4.899 1.021 1.00 0.00 C ATOM 674 C VAL A 46 9.368 -3.711 1.541 1.00 0.00 C ATOM 675 O VAL A 46 9.921 -2.796 2.153 1.00 0.00 O ATOM 676 CB VAL A 46 10.256 -4.886 -0.525 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.050 -3.678 -0.987 1.00 0.00 C ATOM 678 CG2 VAL A 46 10.937 -6.146 -1.079 1.00 0.00 C ATOM 0 H VAL A 46 9.216 -6.758 0.833 1.00 0.00 H new ATOM 0 HA VAL A 46 11.210 -4.815 1.380 1.00 0.00 H new ATOM 0 HB VAL A 46 9.232 -4.849 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.100 -3.670 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.562 -2.767 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.059 -3.728 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.966 -6.095 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.954 -6.210 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.375 -7.028 -0.772 1.00 0.00 H new ATOM 688 N LEU A 47 8.042 -3.752 1.382 1.00 0.00 N ATOM 689 CA LEU A 47 7.151 -2.715 1.918 1.00 0.00 C ATOM 690 C LEU A 47 6.982 -2.778 3.451 1.00 0.00 C ATOM 691 O LEU A 47 6.647 -1.769 4.064 1.00 0.00 O ATOM 692 CB LEU A 47 5.855 -2.635 1.092 1.00 0.00 C ATOM 693 CG LEU A 47 4.930 -3.864 1.154 1.00 0.00 C ATOM 694 CD1 LEU A 47 3.946 -3.794 2.324 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.141 -3.976 -0.147 1.00 0.00 C ATOM 0 H LEU A 47 7.557 -4.498 0.883 1.00 0.00 H new ATOM 0 HA LEU A 47 7.632 -1.745 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.290 -1.764 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.124 -2.461 0.050 1.00 0.00 H new ATOM 0 HG LEU A 47 5.564 -4.738 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.316 -4.684 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.499 -3.741 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.321 -2.907 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.487 -4.846 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.540 -3.077 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.832 -4.084 -0.983 1.00 0.00 H new ATOM 707 N GLU A 48 7.291 -3.910 4.089 1.00 0.00 N ATOM 708 CA GLU A 48 7.443 -4.030 5.548 1.00 0.00 C ATOM 709 C GLU A 48 8.647 -3.217 6.061 1.00 0.00 C ATOM 710 O GLU A 48 8.544 -2.504 7.065 1.00 0.00 O ATOM 711 CB GLU A 48 7.611 -5.514 5.935 1.00 0.00 C ATOM 712 CG GLU A 48 6.888 -5.898 7.221 1.00 0.00 C ATOM 713 CD GLU A 48 5.377 -6.032 6.974 1.00 0.00 C ATOM 714 OE1 GLU A 48 4.912 -7.104 6.523 1.00 0.00 O ATOM 715 OE2 GLU A 48 4.634 -5.060 7.245 1.00 0.00 O ATOM 0 H GLU A 48 7.447 -4.790 3.598 1.00 0.00 H new ATOM 0 HA GLU A 48 6.544 -3.627 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.241 -6.137 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.673 -5.733 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.285 -6.840 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.071 -5.144 7.986 1.00 0.00 H new ATOM 722 N GLU A 49 9.779 -3.257 5.345 1.00 0.00 N ATOM 723 CA GLU A 49 10.913 -2.366 5.605 1.00 0.00 C ATOM 724 C GLU A 49 10.542 -0.905 5.331 1.00 0.00 C ATOM 725 O GLU A 49 10.814 -0.063 6.181 1.00 0.00 O ATOM 726 CB GLU A 49 12.156 -2.755 4.791 1.00 0.00 C ATOM 727 CG GLU A 49 12.867 -3.996 5.347 1.00 0.00 C ATOM 728 CD GLU A 49 14.143 -4.335 4.547 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.882 -3.401 4.146 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.431 -5.538 4.337 1.00 0.00 O ATOM 0 H GLU A 49 9.932 -3.906 4.573 1.00 0.00 H new ATOM 0 HA GLU A 49 11.159 -2.476 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.864 -2.942 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.853 -1.917 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.128 -3.827 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.186 -4.847 5.322 1.00 0.00 H new ATOM 737 N ILE A 50 9.856 -0.586 4.224 1.00 0.00 N ATOM 738 CA ILE A 50 9.347 0.785 4.001 1.00 0.00 C ATOM 739 C ILE A 50 8.491 1.253 5.192 1.00 0.00 C ATOM 740 O ILE A 50 8.713 2.344 5.713 1.00 0.00 O ATOM 741 CB ILE A 50 8.549 0.888 2.680 1.00 0.00 C ATOM 742 CG1 ILE A 50 9.386 0.566 1.419 1.00 0.00 C ATOM 743 CG2 ILE A 50 7.868 2.254 2.510 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.618 1.446 1.171 1.00 0.00 C ATOM 0 H ILE A 50 9.640 -1.245 3.476 1.00 0.00 H new ATOM 0 HA ILE A 50 10.211 1.445 3.918 1.00 0.00 H new ATOM 0 HB ILE A 50 7.782 0.119 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.715 -0.471 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.734 0.639 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.322 2.273 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.175 2.420 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.624 3.040 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.119 1.121 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.307 2.485 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.304 1.357 2.013 1.00 0.00 H new ATOM 756 N ALA A 51 7.561 0.425 5.674 1.00 0.00 N ATOM 757 CA ALA A 51 6.705 0.754 6.811 1.00 0.00 C ATOM 758 C ALA A 51 7.496 1.020 8.100 1.00 0.00 C ATOM 759 O ALA A 51 7.220 1.984 8.814 1.00 0.00 O ATOM 760 CB ALA A 51 5.723 -0.400 7.024 1.00 0.00 C ATOM 0 H ALA A 51 7.381 -0.499 5.282 1.00 0.00 H new ATOM 0 HA ALA A 51 6.178 1.680 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.074 -0.174 7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.118 -0.533 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.277 -1.316 7.227 1.00 0.00 H new ATOM 766 N THR A 52 8.486 0.173 8.393 1.00 0.00 N ATOM 767 CA THR A 52 9.265 0.230 9.639 1.00 0.00 C ATOM 768 C THR A 52 10.294 1.369 9.623 1.00 0.00 C ATOM 769 O THR A 52 10.507 2.030 10.639 1.00 0.00 O ATOM 770 CB THR A 52 9.925 -1.133 9.910 1.00 0.00 C ATOM 771 OG1 THR A 52 8.940 -2.148 9.915 1.00 0.00 O ATOM 772 CG2 THR A 52 10.619 -1.203 11.270 1.00 0.00 C ATOM 0 H THR A 52 8.774 -0.580 7.768 1.00 0.00 H new ATOM 0 HA THR A 52 8.580 0.450 10.458 1.00 0.00 H new ATOM 0 HB THR A 52 10.664 -1.268 9.120 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.700 -2.376 8.992 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.064 -2.189 11.401 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.399 -0.443 11.320 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.889 -1.027 12.060 1.00 0.00 H new ATOM 780 N GLU A 53 10.918 1.630 8.472 1.00 0.00 N ATOM 781 CA GLU A 53 11.980 2.632 8.308 1.00 0.00 C ATOM 782 C GLU A 53 11.467 4.050 8.014 1.00 0.00 C ATOM 783 O GLU A 53 12.023 5.024 8.529 1.00 0.00 O ATOM 784 CB GLU A 53 12.915 2.202 7.171 1.00 0.00 C ATOM 785 CG GLU A 53 13.632 0.873 7.446 1.00 0.00 C ATOM 786 CD GLU A 53 14.737 0.612 6.409 1.00 0.00 C ATOM 787 OE1 GLU A 53 14.592 1.030 5.232 1.00 0.00 O ATOM 788 OE2 GLU A 53 15.759 -0.028 6.749 1.00 0.00 O ATOM 0 H GLU A 53 10.695 1.140 7.606 1.00 0.00 H new ATOM 0 HA GLU A 53 12.501 2.678 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.339 2.113 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.659 2.981 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.065 0.891 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.910 0.056 7.426 1.00 0.00 H new ATOM 795 N ARG A 54 10.427 4.182 7.177 1.00 0.00 N ATOM 796 CA ARG A 54 9.957 5.464 6.611 1.00 0.00 C ATOM 797 C ARG A 54 8.757 6.051 7.356 1.00 0.00 C ATOM 798 O ARG A 54 8.164 7.006 6.868 1.00 0.00 O ATOM 799 CB ARG A 54 9.701 5.340 5.088 1.00 0.00 C ATOM 800 CG ARG A 54 10.802 4.598 4.298 1.00 0.00 C ATOM 801 CD ARG A 54 12.192 5.246 4.389 1.00 0.00 C ATOM 802 NE ARG A 54 13.271 4.241 4.273 1.00 0.00 N ATOM 803 CZ ARG A 54 14.567 4.484 4.225 1.00 0.00 C ATOM 804 NH1 ARG A 54 15.044 5.691 4.118 1.00 0.00 N ATOM 805 NH2 ARG A 54 15.419 3.505 4.299 1.00 0.00 N ATOM 0 H ARG A 54 9.874 3.384 6.865 1.00 0.00 H new ATOM 0 HA ARG A 54 10.763 6.183 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.754 4.822 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.588 6.341 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.867 3.573 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.507 4.544 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.300 5.989 3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.286 5.774 5.338 1.00 0.00 H new ATOM 0 HE ARG A 54 12.985 3.263 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.409 6.488 4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.053 5.840 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.086 2.546 4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.420 3.696 4.262 1.00 0.00 H new ATOM 819 N ALA A 55 8.411 5.519 8.533 1.00 0.00 N ATOM 820 CA ALA A 55 7.210 5.866 9.306 1.00 0.00 C ATOM 821 C ALA A 55 7.024 7.376 9.574 1.00 0.00 C ATOM 822 O ALA A 55 5.891 7.862 9.633 1.00 0.00 O ATOM 823 CB ALA A 55 7.272 5.098 10.633 1.00 0.00 C ATOM 0 H ALA A 55 8.980 4.808 8.992 1.00 0.00 H new ATOM 0 HA ALA A 55 6.346 5.584 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.392 5.334 11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.297 4.027 10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.170 5.386 11.179 1.00 0.00 H new ATOM 829 N THR A 56 8.116 8.133 9.718 1.00 0.00 N ATOM 830 CA THR A 56 8.106 9.597 9.914 1.00 0.00 C ATOM 831 C THR A 56 7.984 10.392 8.606 1.00 0.00 C ATOM 832 O THR A 56 7.568 11.552 8.634 1.00 0.00 O ATOM 833 CB THR A 56 9.360 10.050 10.678 1.00 0.00 C ATOM 834 OG1 THR A 56 10.523 9.512 10.080 1.00 0.00 O ATOM 835 CG2 THR A 56 9.332 9.579 12.135 1.00 0.00 C ATOM 0 H THR A 56 9.057 7.741 9.702 1.00 0.00 H new ATOM 0 HA THR A 56 7.212 9.812 10.500 1.00 0.00 H new ATOM 0 HB THR A 56 9.373 11.139 10.643 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.314 9.810 10.576 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.234 9.918 12.644 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.456 9.993 12.635 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.285 8.490 12.165 1.00 0.00 H new ATOM 843 N ASP A 57 8.295 9.785 7.457 1.00 0.00 N ATOM 844 CA ASP A 57 8.194 10.390 6.120 1.00 0.00 C ATOM 845 C ASP A 57 6.853 10.071 5.437 1.00 0.00 C ATOM 846 O ASP A 57 6.256 10.942 4.803 1.00 0.00 O ATOM 847 CB ASP A 57 9.340 9.877 5.236 1.00 0.00 C ATOM 848 CG ASP A 57 10.729 10.103 5.852 1.00 0.00 C ATOM 849 OD1 ASP A 57 11.178 11.274 5.925 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.391 9.108 6.226 1.00 0.00 O ATOM 0 H ASP A 57 8.637 8.824 7.428 1.00 0.00 H new ATOM 0 HA ASP A 57 8.258 11.471 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.200 8.812 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.294 10.375 4.268 1.00 0.00 H new ATOM 855 N LEU A 58 6.370 8.833 5.588 1.00 0.00 N ATOM 856 CA LEU A 58 5.104 8.321 5.061 1.00 0.00 C ATOM 857 C LEU A 58 4.500 7.232 5.972 1.00 0.00 C ATOM 858 O LEU A 58 5.212 6.562 6.719 1.00 0.00 O ATOM 859 CB LEU A 58 5.265 7.900 3.581 1.00 0.00 C ATOM 860 CG LEU A 58 6.373 6.923 3.150 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.216 5.521 3.734 1.00 0.00 C ATOM 862 CD2 LEU A 58 6.338 6.780 1.625 1.00 0.00 C ATOM 0 H LEU A 58 6.882 8.123 6.111 1.00 0.00 H new ATOM 0 HA LEU A 58 4.366 9.123 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.316 7.464 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.402 8.814 3.003 1.00 0.00 H new ATOM 0 HG LEU A 58 7.310 7.340 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.033 4.888 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.237 5.576 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.266 5.096 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.119 6.090 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.366 6.395 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.504 7.754 1.164 1.00 0.00 H new ATOM 874 N THR A 59 3.176 7.067 5.949 1.00 0.00 N ATOM 875 CA THR A 59 2.469 6.004 6.704 1.00 0.00 C ATOM 876 C THR A 59 2.147 4.841 5.767 1.00 0.00 C ATOM 877 O THR A 59 1.742 5.089 4.634 1.00 0.00 O ATOM 878 CB THR A 59 1.176 6.524 7.355 1.00 0.00 C ATOM 879 OG1 THR A 59 1.438 7.672 8.137 1.00 0.00 O ATOM 880 CG2 THR A 59 0.523 5.505 8.291 1.00 0.00 C ATOM 0 H THR A 59 2.552 7.664 5.407 1.00 0.00 H new ATOM 0 HA THR A 59 3.127 5.668 7.505 1.00 0.00 H new ATOM 0 HB THR A 59 0.505 6.739 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.604 7.990 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.384 5.932 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.271 4.605 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.216 5.251 9.093 1.00 0.00 H new ATOM 888 N VAL A 60 2.302 3.585 6.203 1.00 0.00 N ATOM 889 CA VAL A 60 2.013 2.394 5.377 1.00 0.00 C ATOM 890 C VAL A 60 0.817 1.601 5.924 1.00 0.00 C ATOM 891 O VAL A 60 0.755 1.276 7.111 1.00 0.00 O ATOM 892 CB VAL A 60 3.263 1.509 5.181 1.00 0.00 C ATOM 893 CG1 VAL A 60 2.974 0.318 4.255 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.408 2.307 4.544 1.00 0.00 C ATOM 0 H VAL A 60 2.632 3.359 7.141 1.00 0.00 H new ATOM 0 HA VAL A 60 1.729 2.750 4.387 1.00 0.00 H new ATOM 0 HB VAL A 60 3.543 1.155 6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.877 -0.282 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.183 -0.295 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.656 0.685 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.276 1.660 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.092 2.684 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.671 3.145 5.190 1.00 0.00 H new ATOM 904 N ALA A 61 -0.121 1.266 5.041 1.00 0.00 N ATOM 905 CA ALA A 61 -1.341 0.507 5.307 1.00 0.00 C ATOM 906 C ALA A 61 -1.454 -0.723 4.384 1.00 0.00 C ATOM 907 O ALA A 61 -0.934 -0.715 3.266 1.00 0.00 O ATOM 908 CB ALA A 61 -2.538 1.450 5.138 1.00 0.00 C ATOM 0 H ALA A 61 -0.045 1.534 4.060 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.319 0.122 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.461 0.904 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.451 2.278 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.554 1.839 4.120 1.00 0.00 H new ATOM 914 N LYS A 62 -2.144 -1.777 4.838 1.00 0.00 N ATOM 915 CA LYS A 62 -2.275 -3.065 4.128 1.00 0.00 C ATOM 916 C LYS A 62 -3.733 -3.540 4.038 1.00 0.00 C ATOM 917 O LYS A 62 -4.496 -3.416 5.000 1.00 0.00 O ATOM 918 CB LYS A 62 -1.355 -4.126 4.768 1.00 0.00 C ATOM 919 CG LYS A 62 0.128 -3.703 4.737 1.00 0.00 C ATOM 920 CD LYS A 62 1.121 -4.816 5.104 1.00 0.00 C ATOM 921 CE LYS A 62 0.967 -5.313 6.548 1.00 0.00 C ATOM 922 NZ LYS A 62 2.113 -6.170 6.936 1.00 0.00 N ATOM 0 H LYS A 62 -2.640 -1.762 5.729 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.950 -2.912 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.662 -4.296 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.473 -5.073 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.366 -3.337 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.268 -2.869 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.985 -5.655 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.137 -4.449 4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.899 -4.461 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.038 -5.874 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.831 -6.794 7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.406 -6.747 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.907 -5.571 7.240 1.00 0.00 H new ATOM 936 N LEU A 63 -4.099 -4.099 2.884 1.00 0.00 N ATOM 937 CA LEU A 63 -5.414 -4.669 2.556 1.00 0.00 C ATOM 938 C LEU A 63 -5.214 -6.024 1.858 1.00 0.00 C ATOM 939 O LEU A 63 -4.661 -6.082 0.758 1.00 0.00 O ATOM 940 CB LEU A 63 -6.160 -3.628 1.685 1.00 0.00 C ATOM 941 CG LEU A 63 -7.524 -3.989 1.054 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.434 -4.941 -0.136 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.518 -4.599 2.039 1.00 0.00 C ATOM 0 H LEU A 63 -3.448 -4.172 2.103 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.019 -4.868 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.311 -2.740 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.491 -3.345 0.872 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.882 -3.016 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.435 -5.142 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.830 -4.486 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.972 -5.876 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.450 -4.825 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.102 -5.517 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.713 -3.891 2.845 1.00 0.00 H new ATOM 955 N ASP A 64 -5.677 -7.116 2.477 1.00 0.00 N ATOM 956 CA ASP A 64 -5.727 -8.427 1.816 1.00 0.00 C ATOM 957 C ASP A 64 -7.000 -8.520 0.956 1.00 0.00 C ATOM 958 O ASP A 64 -8.122 -8.410 1.461 1.00 0.00 O ATOM 959 CB ASP A 64 -5.630 -9.589 2.820 1.00 0.00 C ATOM 960 CG ASP A 64 -5.307 -10.919 2.112 1.00 0.00 C ATOM 961 OD1 ASP A 64 -6.044 -11.287 1.172 1.00 0.00 O ATOM 962 OD2 ASP A 64 -4.328 -11.604 2.492 1.00 0.00 O ATOM 0 H ASP A 64 -6.023 -7.119 3.436 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.856 -8.519 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.858 -9.371 3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.571 -9.683 3.362 1.00 0.00 H new ATOM 967 N VAL A 65 -6.844 -8.711 -0.354 1.00 0.00 N ATOM 968 CA VAL A 65 -7.975 -8.729 -1.296 1.00 0.00 C ATOM 969 C VAL A 65 -8.896 -9.941 -1.103 1.00 0.00 C ATOM 970 O VAL A 65 -10.037 -9.923 -1.562 1.00 0.00 O ATOM 971 CB VAL A 65 -7.519 -8.595 -2.761 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.601 -7.379 -2.955 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.803 -9.827 -3.315 1.00 0.00 C ATOM 0 H VAL A 65 -5.936 -8.857 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.568 -7.846 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.448 -8.473 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.298 -7.315 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.136 -6.471 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.717 -7.487 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.517 -9.646 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.911 -10.027 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.470 -10.688 -3.268 1.00 0.00 H new ATOM 983 N ASP A 66 -8.438 -10.984 -0.405 1.00 0.00 N ATOM 984 CA ASP A 66 -9.254 -12.136 -0.012 1.00 0.00 C ATOM 985 C ASP A 66 -10.138 -11.853 1.217 1.00 0.00 C ATOM 986 O ASP A 66 -11.211 -12.447 1.350 1.00 0.00 O ATOM 987 CB ASP A 66 -8.333 -13.333 0.254 1.00 0.00 C ATOM 988 CG ASP A 66 -9.077 -14.661 0.077 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.305 -15.050 -1.094 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.401 -15.330 1.087 1.00 0.00 O ATOM 0 H ASP A 66 -7.470 -11.052 -0.091 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.935 -12.357 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.482 -13.297 -0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.935 -13.270 1.267 1.00 0.00 H new ATOM 995 N THR A 67 -9.718 -10.941 2.107 1.00 0.00 N ATOM 996 CA THR A 67 -10.445 -10.613 3.351 1.00 0.00 C ATOM 997 C THR A 67 -11.411 -9.438 3.173 1.00 0.00 C ATOM 998 O THR A 67 -12.471 -9.423 3.804 1.00 0.00 O ATOM 999 CB THR A 67 -9.497 -10.359 4.539 1.00 0.00 C ATOM 1000 OG1 THR A 67 -8.786 -9.154 4.386 1.00 0.00 O ATOM 1001 CG2 THR A 67 -8.499 -11.499 4.758 1.00 0.00 C ATOM 0 H THR A 67 -8.859 -10.405 1.986 1.00 0.00 H new ATOM 0 HA THR A 67 -11.038 -11.497 3.584 1.00 0.00 H new ATOM 0 HB THR A 67 -10.142 -10.296 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.629 -8.985 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.858 -11.263 5.608 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.041 -12.424 4.957 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.886 -11.623 3.865 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.117 -8.506 2.258 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.095 -7.565 1.705 1.00 0.00 C ATOM 1011 C ASN A 68 -11.799 -7.261 0.211 1.00 0.00 C ATOM 1012 O ASN A 68 -10.900 -6.468 -0.088 1.00 0.00 O ATOM 1013 CB ASN A 68 -12.143 -6.300 2.583 1.00 0.00 C ATOM 1014 CG ASN A 68 -13.273 -5.376 2.162 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -13.308 -4.867 1.052 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -14.246 -5.143 3.009 1.00 0.00 N ATOM 0 H ASN A 68 -10.179 -8.384 1.876 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.088 -8.015 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.273 -6.585 3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.193 -5.771 2.513 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.024 -4.541 2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.225 -5.564 3.938 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.553 -7.848 -0.742 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.364 -7.595 -2.173 1.00 0.00 C ATOM 1025 C PRO A 69 -12.932 -6.247 -2.645 1.00 0.00 C ATOM 1026 O PRO A 69 -12.487 -5.720 -3.665 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.057 -8.767 -2.880 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.169 -9.158 -1.909 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.531 -8.913 -0.543 1.00 0.00 C ATOM 0 HA PRO A 69 -11.301 -7.528 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.456 -8.472 -3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.369 -9.594 -3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.063 -8.550 -2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.468 -10.199 -2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.282 -8.621 0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.052 -9.818 -0.168 1.00 0.00 H new ATOM 1037 N GLU A 70 -13.886 -5.647 -1.924 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.547 -4.408 -2.360 1.00 0.00 C ATOM 1039 C GLU A 70 -13.625 -3.185 -2.237 1.00 0.00 C ATOM 1040 O GLU A 70 -13.712 -2.261 -3.045 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.863 -4.198 -1.595 1.00 0.00 C ATOM 1042 CG GLU A 70 -16.883 -5.333 -1.794 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.220 -5.582 -3.279 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -17.814 -4.692 -3.934 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -16.894 -6.671 -3.807 1.00 0.00 O ATOM 0 H GLU A 70 -14.221 -6.002 -1.028 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.781 -4.517 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.643 -4.101 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.312 -3.258 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.488 -6.250 -1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.799 -5.091 -1.254 1.00 0.00 H new ATOM 1052 N THR A 71 -12.673 -3.218 -1.299 1.00 0.00 N ATOM 1053 CA THR A 71 -11.607 -2.205 -1.178 1.00 0.00 C ATOM 1054 C THR A 71 -10.695 -2.221 -2.411 1.00 0.00 C ATOM 1055 O THR A 71 -10.380 -1.167 -2.962 1.00 0.00 O ATOM 1056 CB THR A 71 -10.786 -2.391 0.109 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.605 -2.664 1.226 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.027 -1.120 0.488 1.00 0.00 C ATOM 0 H THR A 71 -12.616 -3.953 -0.594 1.00 0.00 H new ATOM 0 HA THR A 71 -12.091 -1.230 -1.120 1.00 0.00 H new ATOM 0 HB THR A 71 -10.113 -3.219 -0.112 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.119 -3.482 1.062 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.460 -1.294 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.343 -0.851 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.736 -0.308 0.649 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.334 -3.411 -2.907 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.562 -3.587 -4.143 1.00 0.00 C ATOM 1068 C ALA A 72 -10.347 -3.189 -5.399 1.00 0.00 C ATOM 1069 O ALA A 72 -9.791 -2.591 -6.327 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.080 -5.037 -4.193 1.00 0.00 C ATOM 0 H ALA A 72 -10.574 -4.293 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.706 -2.913 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.502 -5.197 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.454 -5.242 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.940 -5.707 -4.187 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.651 -3.478 -5.410 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.555 -3.159 -6.517 1.00 0.00 C ATOM 1078 C ARG A 73 -12.777 -1.651 -6.677 1.00 0.00 C ATOM 1079 O ARG A 73 -12.717 -1.145 -7.796 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.875 -3.911 -6.267 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.927 -3.786 -7.379 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.240 -4.394 -6.869 1.00 0.00 C ATOM 1083 NE ARG A 73 -17.322 -4.307 -7.866 1.00 0.00 N ATOM 1084 CZ ARG A 73 -18.617 -4.415 -7.620 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -19.097 -4.593 -6.421 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -19.475 -4.343 -8.598 1.00 0.00 N ATOM 0 H ARG A 73 -12.116 -3.949 -4.634 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.110 -3.480 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.649 -4.967 -6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.310 -3.547 -5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.072 -2.740 -7.649 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.593 -4.304 -8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.075 -5.439 -6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.546 -3.880 -5.958 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.047 -4.149 -8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.465 -4.655 -5.623 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.104 -4.671 -6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.148 -4.203 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.474 -4.426 -8.408 1.00 0.00 H new ATOM 1100 N ASN A 74 -12.989 -0.929 -5.573 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.378 0.488 -5.576 1.00 0.00 C ATOM 1102 C ASN A 74 -12.357 1.407 -6.279 1.00 0.00 C ATOM 1103 O ASN A 74 -12.751 2.338 -6.984 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.616 0.927 -4.121 1.00 0.00 C ATOM 1105 CG ASN A 74 -14.139 2.353 -4.042 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -15.303 2.625 -4.306 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -13.302 3.318 -3.732 1.00 0.00 N ATOM 0 H ASN A 74 -12.894 -1.318 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.293 0.587 -6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.329 0.251 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.684 0.849 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.624 4.286 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.331 3.099 -3.511 1.00 0.00 H new ATOM 1114 N PHE A 75 -11.059 1.131 -6.114 1.00 0.00 N ATOM 1115 CA PHE A 75 -9.960 1.897 -6.726 1.00 0.00 C ATOM 1116 C PHE A 75 -9.379 1.241 -7.995 1.00 0.00 C ATOM 1117 O PHE A 75 -8.386 1.724 -8.544 1.00 0.00 O ATOM 1118 CB PHE A 75 -8.905 2.202 -5.648 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.469 2.961 -4.460 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.732 4.340 -4.565 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.781 2.282 -3.267 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -10.306 5.036 -3.485 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -10.366 2.973 -2.191 1.00 0.00 C ATOM 1124 CZ PHE A 75 -10.627 4.351 -2.300 1.00 0.00 C ATOM 0 H PHE A 75 -10.733 0.353 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.359 2.841 -7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.469 1.266 -5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.097 2.783 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.492 4.866 -5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.570 1.227 -3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.500 6.095 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.615 2.446 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.074 4.883 -1.473 1.00 0.00 H new ATOM 1134 N GLN A 76 -9.987 0.143 -8.466 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.511 -0.709 -9.563 1.00 0.00 C ATOM 1136 C GLN A 76 -8.034 -1.116 -9.400 1.00 0.00 C ATOM 1137 O GLN A 76 -7.171 -0.791 -10.219 1.00 0.00 O ATOM 1138 CB GLN A 76 -9.850 -0.076 -10.927 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.679 -1.066 -12.091 1.00 0.00 C ATOM 1140 CD GLN A 76 -10.743 -2.162 -12.090 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -10.551 -3.248 -11.561 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -11.909 -1.922 -12.655 1.00 0.00 N ATOM 0 H GLN A 76 -10.867 -0.191 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.051 -1.655 -9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.878 0.287 -10.911 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.208 0.790 -11.092 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.723 -0.523 -13.035 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.691 -1.523 -12.032 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.084 -1.021 -13.100 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.636 -2.637 -12.647 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.734 -1.814 -8.307 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.398 -2.305 -7.926 1.00 0.00 C ATOM 1153 C VAL A 77 -6.428 -3.805 -7.582 1.00 0.00 C ATOM 1154 O VAL A 77 -5.669 -4.300 -6.750 1.00 0.00 O ATOM 1155 CB VAL A 77 -5.810 -1.441 -6.796 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.425 -0.033 -7.256 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.743 -1.319 -5.594 1.00 0.00 C ATOM 0 H VAL A 77 -8.447 -2.069 -7.624 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.731 -2.207 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.908 -1.974 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.017 0.526 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.675 -0.100 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.308 0.479 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.274 -0.698 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.682 -0.862 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.941 -2.310 -5.185 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.340 -4.543 -8.223 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.629 -5.963 -7.943 1.00 0.00 C ATOM 1169 C VAL A 78 -6.527 -6.940 -8.402 1.00 0.00 C ATOM 1170 O VAL A 78 -6.548 -8.110 -8.018 1.00 0.00 O ATOM 1171 CB VAL A 78 -8.975 -6.386 -8.573 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.150 -5.596 -7.988 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.002 -6.240 -10.101 1.00 0.00 C ATOM 0 H VAL A 78 -7.917 -4.163 -8.973 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.676 -6.030 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.078 -7.443 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.078 -5.923 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.206 -5.769 -6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.003 -4.533 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.975 -6.554 -10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.827 -5.198 -10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.224 -6.864 -10.540 1.00 0.00 H new ATOM 1183 N SER A 79 -5.591 -6.491 -9.246 1.00 0.00 N ATOM 1184 CA SER A 79 -4.659 -7.348 -10.001 1.00 0.00 C ATOM 1185 C SER A 79 -3.612 -8.067 -9.138 1.00 0.00 C ATOM 1186 O SER A 79 -3.342 -9.244 -9.375 1.00 0.00 O ATOM 1187 CB SER A 79 -3.939 -6.514 -11.068 1.00 0.00 C ATOM 1188 OG SER A 79 -4.878 -5.815 -11.873 1.00 0.00 O ATOM 0 H SER A 79 -5.454 -5.497 -9.430 1.00 0.00 H new ATOM 0 HA SER A 79 -5.275 -8.127 -10.450 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.264 -5.805 -10.589 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.327 -7.164 -11.694 1.00 0.00 H new ATOM 0 HG SER A 79 -4.402 -5.287 -12.547 1.00 0.00 H new ATOM 1194 N ILE A 80 -3.071 -7.354 -8.140 1.00 0.00 N ATOM 1195 CA ILE A 80 -2.092 -7.741 -7.105 1.00 0.00 C ATOM 1196 C ILE A 80 -0.719 -8.328 -7.545 1.00 0.00 C ATOM 1197 O ILE A 80 -0.629 -9.042 -8.548 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.722 -8.558 -5.950 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -3.086 -10.007 -6.310 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.912 -7.809 -5.326 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.342 -10.837 -5.052 1.00 0.00 C ATOM 0 H ILE A 80 -3.339 -6.377 -8.022 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.804 -6.755 -6.740 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.935 -8.651 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.974 -10.016 -6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.278 -10.456 -6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.335 -8.406 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.572 -6.852 -4.930 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.673 -7.638 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.598 -11.858 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.445 -10.846 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.167 -10.400 -4.489 1.00 0.00 H new ATOM 1213 N PRO A 81 0.370 -8.072 -6.783 1.00 0.00 N ATOM 1214 CA PRO A 81 0.485 -7.031 -5.757 1.00 0.00 C ATOM 1215 C PRO A 81 0.360 -5.644 -6.394 1.00 0.00 C ATOM 1216 O PRO A 81 0.937 -5.390 -7.453 1.00 0.00 O ATOM 1217 CB PRO A 81 1.870 -7.200 -5.126 1.00 0.00 C ATOM 1218 CG PRO A 81 2.688 -7.864 -6.232 1.00 0.00 C ATOM 1219 CD PRO A 81 1.658 -8.730 -6.956 1.00 0.00 C ATOM 0 HA PRO A 81 -0.304 -7.121 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.297 -6.241 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.830 -7.819 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.135 -7.127 -6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.503 -8.463 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.906 -8.826 -8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.638 -9.738 -6.541 1.00 0.00 H new ATOM 1227 N THR A 82 -0.397 -4.756 -5.752 1.00 0.00 N ATOM 1228 CA THR A 82 -0.663 -3.403 -6.253 1.00 0.00 C ATOM 1229 C THR A 82 -0.523 -2.401 -5.111 1.00 0.00 C ATOM 1230 O THR A 82 -1.220 -2.495 -4.104 1.00 0.00 O ATOM 1231 CB THR A 82 -2.052 -3.311 -6.912 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.234 -4.330 -7.878 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.251 -1.982 -7.642 1.00 0.00 C ATOM 0 H THR A 82 -0.849 -4.955 -4.860 1.00 0.00 H new ATOM 0 HA THR A 82 0.069 -3.163 -7.024 1.00 0.00 H new ATOM 0 HB THR A 82 -2.769 -3.411 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.125 -4.247 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.243 -1.959 -8.092 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.155 -1.160 -6.933 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.496 -1.879 -8.422 1.00 0.00 H new ATOM 1241 N LEU A 83 0.377 -1.432 -5.258 1.00 0.00 N ATOM 1242 CA LEU A 83 0.641 -0.384 -4.272 1.00 0.00 C ATOM 1243 C LEU A 83 0.129 0.950 -4.821 1.00 0.00 C ATOM 1244 O LEU A 83 0.343 1.262 -5.995 1.00 0.00 O ATOM 1245 CB LEU A 83 2.145 -0.291 -3.941 1.00 0.00 C ATOM 1246 CG LEU A 83 2.779 -1.450 -3.140 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.868 -2.776 -3.902 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.215 -1.062 -2.774 1.00 0.00 C ATOM 0 H LEU A 83 0.961 -1.351 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 83 0.120 -0.628 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.689 -0.196 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.309 0.631 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 83 2.130 -1.603 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.325 -3.532 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.867 -3.099 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.475 -2.641 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.677 -1.870 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.787 -0.884 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.204 -0.155 -2.169 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.496 1.763 -3.973 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.844 3.157 -4.286 1.00 0.00 C ATOM 1262 C ILE A 84 -0.360 4.099 -3.177 1.00 0.00 C ATOM 1263 O ILE A 84 -0.373 3.741 -2.000 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.354 3.293 -4.597 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.621 4.574 -5.418 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.198 3.246 -3.316 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -4.062 4.714 -5.916 1.00 0.00 C ATOM 0 H ILE A 84 -0.781 1.474 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.322 3.460 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.658 2.439 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.374 5.442 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.949 4.588 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.253 3.344 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.035 2.296 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.906 4.065 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.163 5.640 -6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.309 3.868 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.741 4.735 -5.064 1.00 0.00 H new ATOM 1279 N LEU A 85 0.063 5.307 -3.542 1.00 0.00 N ATOM 1280 CA LEU A 85 0.458 6.366 -2.612 1.00 0.00 C ATOM 1281 C LEU A 85 -0.486 7.565 -2.757 1.00 0.00 C ATOM 1282 O LEU A 85 -0.738 8.016 -3.875 1.00 0.00 O ATOM 1283 CB LEU A 85 1.931 6.721 -2.886 1.00 0.00 C ATOM 1284 CG LEU A 85 2.570 7.721 -1.907 1.00 0.00 C ATOM 1285 CD1 LEU A 85 2.774 7.141 -0.510 1.00 0.00 C ATOM 1286 CD2 LEU A 85 3.943 8.128 -2.432 1.00 0.00 C ATOM 0 H LEU A 85 0.143 5.586 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 85 0.377 6.036 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.516 5.801 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.006 7.129 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 85 1.885 8.566 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.228 7.894 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.811 6.842 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.429 6.272 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.401 8.837 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.576 7.245 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.835 8.594 -3.412 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.975 8.092 -1.636 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.853 9.262 -1.553 1.00 0.00 C ATOM 1300 C PHE A 86 -1.149 10.457 -0.896 1.00 0.00 C ATOM 1301 O PHE A 86 -0.361 10.268 0.030 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.120 8.908 -0.759 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.992 7.840 -1.390 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -4.694 8.113 -2.579 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -4.121 6.580 -0.775 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -5.519 7.131 -3.154 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -4.954 5.602 -1.346 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.652 5.875 -2.535 1.00 0.00 C ATOM 0 H PHE A 86 -0.762 7.699 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.120 9.549 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.826 8.575 0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.715 9.812 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.598 9.080 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.580 6.365 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.050 7.341 -4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.058 4.638 -0.870 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.290 5.121 -2.973 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.499 11.683 -1.307 1.00 0.00 N ATOM 1319 CA LYS A 87 -1.297 12.932 -0.550 1.00 0.00 C ATOM 1320 C LYS A 87 -2.593 13.745 -0.575 1.00 0.00 C ATOM 1321 O LYS A 87 -3.127 14.005 -1.652 1.00 0.00 O ATOM 1322 CB LYS A 87 -0.134 13.786 -1.098 1.00 0.00 C ATOM 1323 CG LYS A 87 1.234 13.420 -0.495 1.00 0.00 C ATOM 1324 CD LYS A 87 2.346 14.377 -0.966 1.00 0.00 C ATOM 1325 CE LYS A 87 2.884 14.034 -2.363 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.813 15.085 -2.860 1.00 0.00 N ATOM 0 H LYS A 87 -1.948 11.841 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.031 12.658 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.088 13.670 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.340 14.838 -0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.170 13.446 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.492 12.399 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.961 15.397 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.168 14.350 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.401 13.075 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.052 13.924 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.159 14.824 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.311 15.994 -2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.619 15.172 -2.209 1.00 0.00 H new ATOM 1340 N ASP A 88 -3.110 14.138 0.588 1.00 0.00 N ATOM 1341 CA ASP A 88 -4.381 14.877 0.738 1.00 0.00 C ATOM 1342 C ASP A 88 -5.569 14.212 -0.001 1.00 0.00 C ATOM 1343 O ASP A 88 -6.395 14.868 -0.641 1.00 0.00 O ATOM 1344 CB ASP A 88 -4.163 16.365 0.402 1.00 0.00 C ATOM 1345 CG ASP A 88 -5.344 17.262 0.817 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -5.850 17.119 1.956 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -5.734 18.157 0.026 1.00 0.00 O ATOM 0 H ASP A 88 -2.652 13.951 1.480 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.689 14.829 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.258 16.714 0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.997 16.468 -0.670 1.00 0.00 H new ATOM 1352 N GLY A 89 -5.604 12.874 0.017 1.00 0.00 N ATOM 1353 CA GLY A 89 -6.594 12.043 -0.682 1.00 0.00 C ATOM 1354 C GLY A 89 -6.437 11.960 -2.208 1.00 0.00 C ATOM 1355 O GLY A 89 -7.217 11.264 -2.859 1.00 0.00 O ATOM 0 H GLY A 89 -4.922 12.321 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.545 11.033 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.588 12.429 -0.458 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.438 12.635 -2.787 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.137 12.622 -4.223 1.00 0.00 C ATOM 1361 C GLN A 90 -4.054 11.569 -4.529 1.00 0.00 C ATOM 1362 O GLN A 90 -3.141 11.400 -3.714 1.00 0.00 O ATOM 1363 CB GLN A 90 -4.686 14.019 -4.699 1.00 0.00 C ATOM 1364 CG GLN A 90 -5.491 15.208 -4.144 1.00 0.00 C ATOM 1365 CD GLN A 90 -7.004 15.056 -4.295 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -7.542 14.942 -5.390 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -7.750 15.044 -3.209 1.00 0.00 N ATOM 0 H GLN A 90 -4.798 13.223 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.045 12.357 -4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.639 14.154 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.738 14.046 -5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.252 15.335 -3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.174 16.118 -4.654 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.316 15.138 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.762 14.941 -3.286 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.104 10.861 -5.674 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.091 9.868 -6.035 1.00 0.00 C ATOM 1378 C PRO A 91 -1.743 10.520 -6.394 1.00 0.00 C ATOM 1379 O PRO A 91 -1.688 11.562 -7.052 1.00 0.00 O ATOM 1380 CB PRO A 91 -3.692 9.082 -7.205 1.00 0.00 C ATOM 1381 CG PRO A 91 -4.612 10.104 -7.876 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.136 10.927 -6.699 1.00 0.00 C ATOM 0 HA PRO A 91 -2.858 9.211 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.921 8.724 -7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.244 8.207 -6.861 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.072 10.724 -8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.422 9.620 -8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.325 11.958 -6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.079 10.524 -6.330 1.00 0.00 H new ATOM 1390 N VAL A 92 -0.652 9.882 -5.964 1.00 0.00 N ATOM 1391 CA VAL A 92 0.740 10.365 -6.086 1.00 0.00 C ATOM 1392 C VAL A 92 1.605 9.376 -6.878 1.00 0.00 C ATOM 1393 O VAL A 92 2.327 9.782 -7.791 1.00 0.00 O ATOM 1394 CB VAL A 92 1.341 10.625 -4.686 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.766 11.181 -4.763 1.00 0.00 C ATOM 1396 CG2 VAL A 92 0.509 11.631 -3.896 1.00 0.00 C ATOM 0 H VAL A 92 -0.709 8.975 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 92 0.727 11.305 -6.638 1.00 0.00 H new ATOM 0 HB VAL A 92 1.345 9.655 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.146 11.348 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.408 10.467 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.759 12.124 -5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.962 11.789 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.473 12.577 -4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.503 11.247 -3.770 1.00 0.00 H new ATOM 1406 N LYS A 93 1.497 8.076 -6.568 1.00 0.00 N ATOM 1407 CA LYS A 93 2.127 6.955 -7.291 1.00 0.00 C ATOM 1408 C LYS A 93 1.203 5.737 -7.307 1.00 0.00 C ATOM 1409 O LYS A 93 0.448 5.525 -6.360 1.00 0.00 O ATOM 1410 CB LYS A 93 3.479 6.559 -6.648 1.00 0.00 C ATOM 1411 CG LYS A 93 4.677 7.466 -6.971 1.00 0.00 C ATOM 1412 CD LYS A 93 5.022 7.463 -8.471 1.00 0.00 C ATOM 1413 CE LYS A 93 6.366 8.135 -8.776 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.519 7.297 -8.360 1.00 0.00 N ATOM 0 H LYS A 93 0.944 7.760 -5.771 1.00 0.00 H new ATOM 0 HA LYS A 93 2.308 7.289 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.350 6.535 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.723 5.544 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.455 8.485 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.545 7.136 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.046 6.434 -8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.233 7.975 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.434 8.339 -9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.414 9.096 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.403 7.734 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.537 7.221 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.426 6.348 -8.775 1.00 0.00 H new ATOM 1428 N ARG A 94 1.318 4.918 -8.353 1.00 0.00 N ATOM 1429 CA ARG A 94 0.732 3.571 -8.479 1.00 0.00 C ATOM 1430 C ARG A 94 1.787 2.594 -9.016 1.00 0.00 C ATOM 1431 O ARG A 94 2.486 2.913 -9.978 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.525 3.639 -9.366 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.192 2.269 -9.572 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.472 2.402 -10.407 1.00 0.00 C ATOM 1435 NE ARG A 94 -2.984 1.074 -10.800 1.00 0.00 N ATOM 1436 CZ ARG A 94 -4.231 0.641 -10.758 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.232 1.377 -10.368 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -4.518 -0.578 -11.102 1.00 0.00 N ATOM 0 H ARG A 94 1.849 5.185 -9.182 1.00 0.00 H new ATOM 0 HA ARG A 94 0.420 3.198 -7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.244 4.323 -8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.255 4.055 -10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.497 1.593 -10.070 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.429 1.826 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.231 2.934 -9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.270 2.997 -11.298 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.291 0.411 -11.146 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.073 2.341 -10.075 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.176 0.990 -10.356 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.778 -1.209 -11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.484 -0.904 -11.066 1.00 0.00 H new ATOM 1452 N ILE A 95 1.889 1.416 -8.403 1.00 0.00 N ATOM 1453 CA ILE A 95 2.803 0.324 -8.777 1.00 0.00 C ATOM 1454 C ILE A 95 2.001 -0.983 -8.851 1.00 0.00 C ATOM 1455 O ILE A 95 1.178 -1.240 -7.977 1.00 0.00 O ATOM 1456 CB ILE A 95 3.976 0.187 -7.765 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.584 1.545 -7.329 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.066 -0.723 -8.363 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.692 1.438 -6.270 1.00 0.00 C ATOM 0 H ILE A 95 1.313 1.180 -7.595 1.00 0.00 H new ATOM 0 HA ILE A 95 3.244 0.548 -9.748 1.00 0.00 H new ATOM 0 HB ILE A 95 3.563 -0.259 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.987 2.047 -8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.786 2.177 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.889 -0.820 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.646 -1.708 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.436 -0.286 -9.291 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.059 2.435 -6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.292 0.968 -5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.512 0.836 -6.661 1.00 0.00 H new ATOM 1471 N VAL A 96 2.254 -1.834 -9.847 1.00 0.00 N ATOM 1472 CA VAL A 96 1.757 -3.224 -9.893 1.00 0.00 C ATOM 1473 C VAL A 96 2.879 -4.190 -10.289 1.00 0.00 C ATOM 1474 O VAL A 96 3.730 -3.864 -11.120 1.00 0.00 O ATOM 1475 CB VAL A 96 0.481 -3.364 -10.755 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.634 -2.794 -12.171 1.00 0.00 C ATOM 1477 CG2 VAL A 96 -0.019 -4.810 -10.870 1.00 0.00 C ATOM 0 H VAL A 96 2.817 -1.580 -10.659 1.00 0.00 H new ATOM 0 HA VAL A 96 1.445 -3.506 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.257 -2.773 -10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.299 -2.926 -12.719 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.873 -1.732 -12.112 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.437 -3.318 -12.689 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.917 -4.837 -11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.755 -5.427 -11.327 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.251 -5.195 -9.877 1.00 0.00 H new ATOM 1487 N GLY A 97 2.894 -5.370 -9.664 1.00 0.00 N ATOM 1488 CA GLY A 97 4.010 -6.319 -9.713 1.00 0.00 C ATOM 1489 C GLY A 97 5.073 -6.041 -8.641 1.00 0.00 C ATOM 1490 O GLY A 97 5.191 -4.927 -8.123 1.00 0.00 O ATOM 0 H GLY A 97 2.113 -5.700 -9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.626 -7.331 -9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.474 -6.277 -10.698 1.00 0.00 H new ATOM 1494 N ALA A 98 5.832 -7.075 -8.274 1.00 0.00 N ATOM 1495 CA ALA A 98 6.829 -7.008 -7.204 1.00 0.00 C ATOM 1496 C ALA A 98 8.090 -6.217 -7.617 1.00 0.00 C ATOM 1497 O ALA A 98 8.593 -6.369 -8.735 1.00 0.00 O ATOM 1498 CB ALA A 98 7.165 -8.438 -6.764 1.00 0.00 C ATOM 0 H ALA A 98 5.771 -7.992 -8.716 1.00 0.00 H new ATOM 0 HA ALA A 98 6.410 -6.456 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.907 -8.408 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.262 -8.929 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.565 -8.995 -7.611 1.00 0.00 H new ATOM 1504 N LYS A 99 8.621 -5.404 -6.693 1.00 0.00 N ATOM 1505 CA LYS A 99 9.893 -4.663 -6.816 1.00 0.00 C ATOM 1506 C LYS A 99 10.763 -4.876 -5.571 1.00 0.00 C ATOM 1507 O LYS A 99 10.232 -4.976 -4.464 1.00 0.00 O ATOM 1508 CB LYS A 99 9.628 -3.164 -7.074 1.00 0.00 C ATOM 1509 CG LYS A 99 8.890 -2.921 -8.403 1.00 0.00 C ATOM 1510 CD LYS A 99 8.896 -1.444 -8.832 1.00 0.00 C ATOM 1511 CE LYS A 99 8.152 -1.310 -10.170 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.345 0.025 -10.802 1.00 0.00 N ATOM 0 H LYS A 99 8.159 -5.235 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 99 10.441 -5.052 -7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.038 -2.755 -6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.576 -2.626 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.353 -3.523 -9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.859 -3.262 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.416 -0.829 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.920 -1.085 -8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.499 -2.085 -10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.088 -1.481 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.865 0.045 -11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.944 0.762 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.361 0.202 -10.937 1.00 0.00 H new ATOM 1526 N GLY A 100 12.086 -4.933 -5.736 1.00 0.00 N ATOM 1527 CA GLY A 100 13.041 -5.049 -4.632 1.00 0.00 C ATOM 1528 C GLY A 100 13.251 -3.711 -3.924 1.00 0.00 C ATOM 1529 O GLY A 100 12.879 -2.659 -4.446 1.00 0.00 O ATOM 0 H GLY A 100 12.531 -4.899 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.681 -5.787 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.995 -5.413 -5.013 1.00 0.00 H new ATOM 1533 N LYS A 101 13.875 -3.739 -2.743 1.00 0.00 N ATOM 1534 CA LYS A 101 14.074 -2.567 -1.857 1.00 0.00 C ATOM 1535 C LYS A 101 14.703 -1.364 -2.556 1.00 0.00 C ATOM 1536 O LYS A 101 14.318 -0.230 -2.280 1.00 0.00 O ATOM 1537 CB LYS A 101 14.904 -3.009 -0.628 1.00 0.00 C ATOM 1538 CG LYS A 101 14.436 -2.455 0.727 1.00 0.00 C ATOM 1539 CD LYS A 101 14.390 -0.924 0.813 1.00 0.00 C ATOM 1540 CE LYS A 101 14.040 -0.437 2.222 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.081 -0.785 3.221 1.00 0.00 N ATOM 0 H LYS A 101 14.270 -4.597 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 101 13.091 -2.219 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.893 -4.098 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.940 -2.708 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.442 -2.847 0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.100 -2.829 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.357 -0.515 0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.654 -0.543 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.905 0.644 2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.089 -0.873 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.095 -0.067 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.868 -1.715 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.011 -0.817 2.756 1.00 0.00 H new ATOM 1555 N ALA A 102 15.598 -1.602 -3.510 1.00 0.00 N ATOM 1556 CA ALA A 102 16.235 -0.527 -4.268 1.00 0.00 C ATOM 1557 C ALA A 102 15.217 0.184 -5.177 1.00 0.00 C ATOM 1558 O ALA A 102 15.034 1.396 -5.073 1.00 0.00 O ATOM 1559 CB ALA A 102 17.428 -1.098 -5.044 1.00 0.00 C ATOM 0 H ALA A 102 15.901 -2.538 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 102 16.612 0.235 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.908 -0.301 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.145 -1.528 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.080 -1.872 -5.728 1.00 0.00 H new ATOM 1565 N ALA A 103 14.494 -0.569 -6.010 1.00 0.00 N ATOM 1566 CA ALA A 103 13.500 -0.029 -6.937 1.00 0.00 C ATOM 1567 C ALA A 103 12.256 0.531 -6.218 1.00 0.00 C ATOM 1568 O ALA A 103 11.785 1.613 -6.577 1.00 0.00 O ATOM 1569 CB ALA A 103 13.148 -1.126 -7.947 1.00 0.00 C ATOM 0 H ALA A 103 14.585 -1.584 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 103 13.924 0.828 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.407 -0.748 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.046 -1.423 -8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.741 -1.989 -7.420 1.00 0.00 H new ATOM 1575 N LEU A 104 11.758 -0.144 -5.171 1.00 0.00 N ATOM 1576 CA LEU A 104 10.623 0.338 -4.380 1.00 0.00 C ATOM 1577 C LEU A 104 11.000 1.630 -3.624 1.00 0.00 C ATOM 1578 O LEU A 104 10.235 2.598 -3.645 1.00 0.00 O ATOM 1579 CB LEU A 104 10.126 -0.802 -3.461 1.00 0.00 C ATOM 1580 CG LEU A 104 8.593 -0.876 -3.313 1.00 0.00 C ATOM 1581 CD1 LEU A 104 8.202 -2.078 -2.452 1.00 0.00 C ATOM 1582 CD2 LEU A 104 7.988 0.369 -2.678 1.00 0.00 C ATOM 0 H LEU A 104 12.132 -1.038 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 104 9.791 0.611 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.488 -1.753 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.569 -0.676 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 104 8.202 -0.967 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.117 -2.119 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.559 -2.994 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.651 -1.979 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.907 0.251 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.407 0.510 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.216 1.239 -3.294 1.00 0.00 H new ATOM 1594 N LEU A 105 12.212 1.719 -3.054 1.00 0.00 N ATOM 1595 CA LEU A 105 12.660 2.984 -2.472 1.00 0.00 C ATOM 1596 C LEU A 105 13.015 4.043 -3.519 1.00 0.00 C ATOM 1597 O LEU A 105 12.850 5.196 -3.178 1.00 0.00 O ATOM 1598 CB LEU A 105 13.748 2.820 -1.395 1.00 0.00 C ATOM 1599 CG LEU A 105 14.015 4.110 -0.566 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.778 4.706 0.116 1.00 0.00 C ATOM 1601 CD2 LEU A 105 14.998 3.762 0.552 1.00 0.00 C ATOM 0 H LEU A 105 12.880 0.951 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 105 11.788 3.370 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.456 2.018 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.676 2.510 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 105 14.386 4.848 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.063 5.601 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.037 4.967 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.354 3.974 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.201 4.652 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.566 2.990 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.928 3.396 0.118 1.00 0.00 H new ATOM 1613 N ARG A 106 13.397 3.774 -4.778 1.00 0.00 N ATOM 1614 CA ARG A 106 13.437 4.864 -5.791 1.00 0.00 C ATOM 1615 C ARG A 106 12.033 5.433 -6.043 1.00 0.00 C ATOM 1616 O ARG A 106 11.815 6.648 -5.952 1.00 0.00 O ATOM 1617 CB ARG A 106 14.087 4.430 -7.120 1.00 0.00 C ATOM 1618 CG ARG A 106 15.582 4.059 -7.081 1.00 0.00 C ATOM 1619 CD ARG A 106 16.475 4.910 -6.164 1.00 0.00 C ATOM 1620 NE ARG A 106 16.478 6.341 -6.533 1.00 0.00 N ATOM 1621 CZ ARG A 106 17.331 7.257 -6.104 1.00 0.00 C ATOM 1622 NH1 ARG A 106 18.313 6.970 -5.301 1.00 0.00 N ATOM 1623 NH2 ARG A 106 17.224 8.495 -6.481 1.00 0.00 N ATOM 0 H ARG A 106 13.674 2.853 -5.119 1.00 0.00 H new ATOM 0 HA ARG A 106 14.069 5.646 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.535 3.571 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.958 5.238 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.667 3.018 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.976 4.122 -8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 106 16.134 4.806 -5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 106 17.495 4.528 -6.202 1.00 0.00 H new ATOM 0 HE ARG A 106 15.753 6.652 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 106 18.446 6.011 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.950 7.704 -4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.475 8.772 -7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.889 9.191 -6.142 1.00 0.00 H new ATOM 1637 N GLU A 107 11.075 4.531 -6.275 1.00 0.00 N ATOM 1638 CA GLU A 107 9.663 4.857 -6.517 1.00 0.00 C ATOM 1639 C GLU A 107 9.054 5.719 -5.403 1.00 0.00 C ATOM 1640 O GLU A 107 8.291 6.641 -5.700 1.00 0.00 O ATOM 1641 CB GLU A 107 8.847 3.566 -6.676 1.00 0.00 C ATOM 1642 CG GLU A 107 9.065 2.899 -8.038 1.00 0.00 C ATOM 1643 CD GLU A 107 8.106 3.420 -9.122 1.00 0.00 C ATOM 1644 OE1 GLU A 107 7.840 4.647 -9.178 1.00 0.00 O ATOM 1645 OE2 GLU A 107 7.636 2.580 -9.928 1.00 0.00 O ATOM 0 H GLU A 107 11.263 3.529 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 107 9.625 5.442 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.120 2.868 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.788 3.791 -6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.093 3.067 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.936 1.822 -7.934 1.00 0.00 H new ATOM 1652 N LEU A 108 9.427 5.461 -4.144 1.00 0.00 N ATOM 1653 CA LEU A 108 8.993 6.249 -2.984 1.00 0.00 C ATOM 1654 C LEU A 108 9.947 7.394 -2.610 1.00 0.00 C ATOM 1655 O LEU A 108 9.497 8.397 -2.066 1.00 0.00 O ATOM 1656 CB LEU A 108 8.782 5.304 -1.796 1.00 0.00 C ATOM 1657 CG LEU A 108 7.717 4.226 -2.055 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.722 3.267 -0.875 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.308 4.802 -2.220 1.00 0.00 C ATOM 0 H LEU A 108 10.047 4.689 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 108 8.059 6.739 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.728 4.819 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.492 5.889 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 108 7.968 3.726 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.974 2.491 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.707 2.809 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.489 3.813 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.602 3.991 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.024 5.335 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.293 5.490 -3.065 1.00 0.00 H new ATOM 1671 N SER A 109 11.238 7.303 -2.932 1.00 0.00 N ATOM 1672 CA SER A 109 12.232 8.369 -2.710 1.00 0.00 C ATOM 1673 C SER A 109 11.937 9.591 -3.597 1.00 0.00 C ATOM 1674 O SER A 109 12.260 10.722 -3.236 1.00 0.00 O ATOM 1675 CB SER A 109 13.679 7.901 -2.911 1.00 0.00 C ATOM 1676 OG SER A 109 14.605 8.939 -2.646 1.00 0.00 O ATOM 0 H SER A 109 11.637 6.470 -3.365 1.00 0.00 H new ATOM 0 HA SER A 109 12.138 8.655 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.883 7.055 -2.255 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.809 7.549 -3.934 1.00 0.00 H new ATOM 0 HG SER A 109 14.309 9.449 -1.863 1.00 0.00 H new ATOM 1682 N ASP A 110 11.212 9.393 -4.707 1.00 0.00 N ATOM 1683 CA ASP A 110 10.562 10.492 -5.444 1.00 0.00 C ATOM 1684 C ASP A 110 9.695 11.422 -4.546 1.00 0.00 C ATOM 1685 O ASP A 110 9.578 12.618 -4.824 1.00 0.00 O ATOM 1686 CB ASP A 110 9.712 9.879 -6.565 1.00 0.00 C ATOM 1687 CG ASP A 110 9.145 10.947 -7.516 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.940 11.624 -8.210 1.00 0.00 O ATOM 1689 OD2 ASP A 110 7.902 11.071 -7.605 1.00 0.00 O ATOM 0 H ASP A 110 11.059 8.473 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 110 11.346 11.132 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.318 9.174 -7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.890 9.312 -6.127 1.00 0.00 H new ATOM 1694 N VAL A 111 9.137 10.897 -3.445 1.00 0.00 N ATOM 1695 CA VAL A 111 8.413 11.618 -2.378 1.00 0.00 C ATOM 1696 C VAL A 111 9.251 11.764 -1.089 1.00 0.00 C ATOM 1697 O VAL A 111 9.045 12.706 -0.323 1.00 0.00 O ATOM 1698 CB VAL A 111 7.080 10.883 -2.120 1.00 0.00 C ATOM 1699 CG1 VAL A 111 6.284 11.441 -0.937 1.00 0.00 C ATOM 1700 CG2 VAL A 111 6.188 10.991 -3.365 1.00 0.00 C ATOM 0 H VAL A 111 9.180 9.895 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 111 8.214 12.638 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 111 7.349 9.852 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.361 10.873 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.879 11.359 -0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.045 12.488 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.246 10.472 -3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.989 12.041 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.695 10.536 -4.216 1.00 0.00 H new ATOM 1710 N VAL A 112 10.222 10.872 -0.866 1.00 0.00 N ATOM 1711 CA VAL A 112 11.156 10.829 0.277 1.00 0.00 C ATOM 1712 C VAL A 112 12.594 11.110 -0.201 1.00 0.00 C ATOM 1713 O VAL A 112 13.405 10.184 -0.312 1.00 0.00 O ATOM 1714 CB VAL A 112 10.999 9.495 1.053 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.807 9.513 2.358 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.534 9.224 1.433 1.00 0.00 C ATOM 0 H VAL A 112 10.392 10.108 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 112 10.913 11.619 0.988 1.00 0.00 H new ATOM 0 HB VAL A 112 11.363 8.716 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.677 8.565 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.863 9.660 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.456 10.327 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.467 8.281 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.167 10.032 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.928 9.167 0.529 1.00 0.00 H new