USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 438 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 29 ASN : amide:sc= 0.162 X(o=0.56,f=0.3) USER MOD Set 1.2: A 50 HIS : no HE2:sc= 0.393 K(o=0.56,f=-4.5!) USER MOD Set 2.1: A 42 SER OG : rot -86:sc= 0.586 USER MOD Set 2.2: A 45 GLN :FLIP amide:sc= 0 F(o=-0.23,f=0.59) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -1.9! USER MOD Set 3.2: A 13 GLN :FLIP amide:sc=-0.00742 F(o=-2.4,f=-1.9) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= 1.82 (180deg=1.75) USER MOD Single : A 9 MET CE :methyl -168:sc= -0.0399 (180deg=-0.273) USER MOD Single : A 16 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.082) USER MOD Single : A 17 THR OG1 : rot 65:sc= 1.25 USER MOD Single : A 18 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-6.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 174:sc= 0.846 USER MOD Single : A 32 CYS SG : rot 84:sc= 0.00177 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -157:sc= -0.235 (180deg=-0.947) USER MOD Single : A 39 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.033) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0345 K(o=-0.034,f=-1.2!) USER MOD Single : A 53 ASN : amide:sc= -0.0671 K(o=-0.067,f=-9.7!) USER MOD Single : A 62 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 73 N PHE A 5 -6.677 6.506 -3.072 1.00 63.13 N ATOM 74 CA PHE A 5 -6.018 5.341 -2.477 1.00 43.40 C ATOM 75 C PHE A 5 -7.001 4.556 -1.595 1.00 24.32 C ATOM 76 O PHE A 5 -7.346 4.988 -0.489 1.00 54.35 O ATOM 77 CB PHE A 5 -4.800 5.783 -1.657 1.00 33.12 C ATOM 78 CG PHE A 5 -3.782 6.543 -2.469 1.00 43.15 C ATOM 79 CD1 PHE A 5 -2.767 5.877 -3.139 1.00 31.44 C ATOM 80 CD2 PHE A 5 -3.847 7.927 -2.567 1.00 45.34 C ATOM 81 CE1 PHE A 5 -1.842 6.575 -3.892 1.00 25.52 C ATOM 82 CE2 PHE A 5 -2.926 8.627 -3.319 1.00 0.03 C ATOM 83 CZ PHE A 5 -1.920 7.950 -3.979 1.00 1.32 C ATOM 0 HA PHE A 5 -5.680 4.686 -3.280 1.00 43.40 H new ATOM 0 HB2 PHE A 5 -5.135 6.408 -0.829 1.00 33.12 H new ATOM 0 HB3 PHE A 5 -4.325 4.904 -1.221 1.00 33.12 H new ATOM 0 HD1 PHE A 5 -2.699 4.801 -3.072 1.00 31.44 H new ATOM 0 HD2 PHE A 5 -4.628 8.462 -2.048 1.00 45.34 H new ATOM 0 HE1 PHE A 5 -1.058 6.044 -4.412 1.00 25.52 H new ATOM 0 HE2 PHE A 5 -2.992 9.703 -3.391 1.00 0.03 H new ATOM 0 HZ PHE A 5 -1.194 8.496 -4.563 1.00 1.32 H new ATOM 93 N THR A 6 -7.458 3.413 -2.103 1.00 54.41 N ATOM 94 CA THR A 6 -8.425 2.559 -1.391 1.00 72.21 C ATOM 95 C THR A 6 -7.822 1.193 -1.044 1.00 42.10 C ATOM 96 O THR A 6 -6.793 0.803 -1.583 1.00 51.55 O ATOM 97 CB THR A 6 -9.714 2.335 -2.221 1.00 33.22 C ATOM 98 OG1 THR A 6 -10.547 1.350 -1.589 1.00 42.42 O ATOM 99 CG2 THR A 6 -9.388 1.887 -3.641 1.00 14.25 C ATOM 0 H THR A 6 -7.175 3.049 -3.013 1.00 54.41 H new ATOM 0 HA THR A 6 -8.677 3.088 -0.472 1.00 72.21 H new ATOM 0 HB THR A 6 -10.245 3.286 -2.271 1.00 33.22 H new ATOM 0 HG1 THR A 6 -11.359 1.218 -2.121 1.00 42.42 H new ATOM 0 HG21 THR A 6 -10.314 1.738 -4.197 1.00 14.25 H new ATOM 0 HG22 THR A 6 -8.787 2.651 -4.134 1.00 14.25 H new ATOM 0 HG23 THR A 6 -8.830 0.951 -3.608 1.00 14.25 H new ATOM 107 N LYS A 7 -8.487 0.455 -0.162 1.00 42.43 N ATOM 108 CA LYS A 7 -7.991 -0.853 0.282 1.00 13.11 C ATOM 109 C LYS A 7 -8.168 -1.939 -0.798 1.00 60.24 C ATOM 110 O LYS A 7 -7.578 -3.021 -0.707 1.00 43.42 O ATOM 111 CB LYS A 7 -8.706 -1.277 1.573 1.00 30.33 C ATOM 112 CG LYS A 7 -10.226 -1.372 1.441 1.00 34.50 C ATOM 113 CD LYS A 7 -10.880 -1.909 2.713 1.00 73.31 C ATOM 114 CE LYS A 7 -10.658 -0.994 3.913 1.00 74.24 C ATOM 115 NZ LYS A 7 -11.208 -1.582 5.166 1.00 32.14 N ATOM 0 H LYS A 7 -9.371 0.736 0.262 1.00 42.43 H new ATOM 0 HA LYS A 7 -6.923 -0.749 0.471 1.00 13.11 H new ATOM 0 HB2 LYS A 7 -8.318 -2.245 1.889 1.00 30.33 H new ATOM 0 HB3 LYS A 7 -8.464 -0.564 2.361 1.00 30.33 H new ATOM 0 HG2 LYS A 7 -10.632 -0.386 1.213 1.00 34.50 H new ATOM 0 HG3 LYS A 7 -10.477 -2.022 0.603 1.00 34.50 H new ATOM 0 HD2 LYS A 7 -11.950 -2.030 2.545 1.00 73.31 H new ATOM 0 HD3 LYS A 7 -10.479 -2.898 2.935 1.00 73.31 H new ATOM 0 HE2 LYS A 7 -9.591 -0.809 4.036 1.00 74.24 H new ATOM 0 HE3 LYS A 7 -11.130 -0.029 3.727 1.00 74.24 H new ATOM 0 HZ1 LYS A 7 -11.223 -0.857 5.912 1.00 32.14 H new ATOM 0 HZ2 LYS A 7 -12.176 -1.923 4.994 1.00 32.14 H new ATOM 0 HZ3 LYS A 7 -10.610 -2.377 5.468 1.00 32.14 H new ATOM 129 N ASP A 8 -8.983 -1.645 -1.815 1.00 3.04 N ATOM 130 CA ASP A 8 -9.273 -2.605 -2.891 1.00 12.51 C ATOM 131 C ASP A 8 -8.189 -2.600 -3.986 1.00 54.40 C ATOM 132 O ASP A 8 -7.854 -3.650 -4.541 1.00 45.34 O ATOM 133 CB ASP A 8 -10.642 -2.301 -3.512 1.00 55.53 C ATOM 134 CG ASP A 8 -11.006 -3.277 -4.621 1.00 62.14 C ATOM 135 OD1 ASP A 8 -11.068 -4.494 -4.349 1.00 12.54 O ATOM 136 OD2 ASP A 8 -11.245 -2.833 -5.762 1.00 13.01 O ATOM 0 H ASP A 8 -9.456 -0.747 -1.918 1.00 3.04 H new ATOM 0 HA ASP A 8 -9.282 -3.599 -2.444 1.00 12.51 H new ATOM 0 HB2 ASP A 8 -11.406 -2.336 -2.735 1.00 55.53 H new ATOM 0 HB3 ASP A 8 -10.640 -1.287 -3.911 1.00 55.53 H new ATOM 141 N MET A 9 -7.651 -1.421 -4.300 1.00 23.12 N ATOM 142 CA MET A 9 -6.638 -1.290 -5.356 1.00 43.44 C ATOM 143 C MET A 9 -5.356 -2.065 -5.004 1.00 1.12 C ATOM 144 O MET A 9 -5.040 -2.266 -3.828 1.00 70.53 O ATOM 145 CB MET A 9 -6.321 0.193 -5.607 1.00 12.52 C ATOM 146 CG MET A 9 -5.670 0.899 -4.425 1.00 74.22 C ATOM 147 SD MET A 9 -5.617 2.691 -4.624 1.00 73.35 S ATOM 148 CE MET A 9 -4.671 2.849 -6.140 1.00 21.32 C ATOM 0 H MET A 9 -7.897 -0.544 -3.842 1.00 23.12 H new ATOM 0 HA MET A 9 -7.045 -1.723 -6.269 1.00 43.44 H new ATOM 0 HB2 MET A 9 -5.661 0.271 -6.471 1.00 12.52 H new ATOM 0 HB3 MET A 9 -7.244 0.712 -5.863 1.00 12.52 H new ATOM 0 HG2 MET A 9 -6.218 0.655 -3.515 1.00 74.22 H new ATOM 0 HG3 MET A 9 -4.655 0.522 -4.296 1.00 74.22 H new ATOM 0 HE1 MET A 9 -4.374 3.889 -6.277 1.00 21.32 H new ATOM 0 HE2 MET A 9 -3.781 2.222 -6.081 1.00 21.32 H new ATOM 0 HE3 MET A 9 -5.282 2.532 -6.985 1.00 21.32 H new ATOM 158 N THR A 10 -4.630 -2.506 -6.026 1.00 32.41 N ATOM 159 CA THR A 10 -3.411 -3.299 -5.820 1.00 32.32 C ATOM 160 C THR A 10 -2.202 -2.415 -5.491 1.00 10.14 C ATOM 161 O THR A 10 -2.178 -1.223 -5.817 1.00 21.23 O ATOM 162 CB THR A 10 -3.070 -4.157 -7.062 1.00 53.32 C ATOM 163 OG1 THR A 10 -2.715 -3.313 -8.169 1.00 12.51 O ATOM 164 CG2 THR A 10 -4.249 -5.043 -7.455 1.00 61.13 C ATOM 0 H THR A 10 -4.859 -2.331 -7.005 1.00 32.41 H new ATOM 0 HA THR A 10 -3.619 -3.953 -4.973 1.00 32.32 H new ATOM 0 HB THR A 10 -2.224 -4.794 -6.806 1.00 53.32 H new ATOM 0 HG1 THR A 10 -2.500 -3.868 -8.948 1.00 12.51 H new ATOM 0 HG21 THR A 10 -3.983 -5.635 -8.330 1.00 61.13 H new ATOM 0 HG22 THR A 10 -4.496 -5.708 -6.628 1.00 61.13 H new ATOM 0 HG23 THR A 10 -5.112 -4.419 -7.688 1.00 61.13 H new ATOM 172 N PHE A 11 -1.200 -3.011 -4.845 1.00 55.30 N ATOM 173 CA PHE A 11 0.038 -2.302 -4.501 1.00 1.32 C ATOM 174 C PHE A 11 0.671 -1.638 -5.735 1.00 11.04 C ATOM 175 O PHE A 11 1.111 -0.487 -5.678 1.00 1.32 O ATOM 176 CB PHE A 11 1.045 -3.267 -3.856 1.00 34.02 C ATOM 177 CG PHE A 11 0.599 -3.821 -2.524 1.00 74.54 C ATOM 178 CD1 PHE A 11 0.822 -3.107 -1.353 1.00 75.32 C ATOM 179 CD2 PHE A 11 -0.033 -5.053 -2.438 1.00 73.04 C ATOM 180 CE1 PHE A 11 0.420 -3.608 -0.130 1.00 55.00 C ATOM 181 CE2 PHE A 11 -0.436 -5.558 -1.217 1.00 21.31 C ATOM 182 CZ PHE A 11 -0.210 -4.835 -0.062 1.00 74.43 C ATOM 0 H PHE A 11 -1.219 -3.986 -4.547 1.00 55.30 H new ATOM 0 HA PHE A 11 -0.220 -1.518 -3.789 1.00 1.32 H new ATOM 0 HB2 PHE A 11 1.227 -4.096 -4.540 1.00 34.02 H new ATOM 0 HB3 PHE A 11 1.995 -2.749 -3.723 1.00 34.02 H new ATOM 0 HD1 PHE A 11 1.316 -2.148 -1.400 1.00 75.32 H new ATOM 0 HD2 PHE A 11 -0.212 -5.624 -3.337 1.00 73.04 H new ATOM 0 HE1 PHE A 11 0.598 -3.041 0.772 1.00 55.00 H new ATOM 0 HE2 PHE A 11 -0.928 -6.518 -1.166 1.00 21.31 H new ATOM 0 HZ PHE A 11 -0.526 -5.229 0.893 1.00 74.43 H new ATOM 192 N ALA A 12 0.701 -2.368 -6.851 1.00 1.22 N ATOM 193 CA ALA A 12 1.263 -1.855 -8.108 1.00 44.52 C ATOM 194 C ALA A 12 0.583 -0.548 -8.543 1.00 12.34 C ATOM 195 O ALA A 12 1.253 0.439 -8.853 1.00 14.42 O ATOM 196 CB ALA A 12 1.140 -2.905 -9.207 1.00 63.13 C ATOM 0 H ALA A 12 0.342 -3.321 -6.913 1.00 1.22 H new ATOM 0 HA ALA A 12 2.317 -1.638 -7.935 1.00 44.52 H new ATOM 0 HB1 ALA A 12 1.560 -2.513 -10.133 1.00 63.13 H new ATOM 0 HB2 ALA A 12 1.683 -3.804 -8.914 1.00 63.13 H new ATOM 0 HB3 ALA A 12 0.089 -3.150 -9.360 1.00 63.13 H new ATOM 202 N GLN A 13 -0.751 -0.548 -8.556 1.00 74.34 N ATOM 203 CA GLN A 13 -1.524 0.642 -8.931 1.00 31.50 C ATOM 204 C GLN A 13 -1.144 1.843 -8.055 1.00 32.31 C ATOM 205 O GLN A 13 -0.854 2.928 -8.561 1.00 24.32 O ATOM 206 CB GLN A 13 -3.029 0.362 -8.807 1.00 53.55 C ATOM 207 CG GLN A 13 -3.514 -0.805 -9.663 1.00 4.53 C ATOM 208 CD GLN A 13 -4.971 -1.166 -9.409 1.00 73.02 C ATOM 209 OE1 GLN A 13 -5.793 -0.179 -9.114 1.00 72.40 O flip ATOM 210 NE2 GLN A 13 -5.362 -2.327 -9.495 1.00 44.22 N flip ATOM 0 H GLN A 13 -1.321 -1.358 -8.311 1.00 74.34 H new ATOM 0 HA GLN A 13 -1.289 0.882 -9.968 1.00 31.50 H new ATOM 0 HB2 GLN A 13 -3.266 0.157 -7.763 1.00 53.55 H new ATOM 0 HB3 GLN A 13 -3.580 1.260 -9.088 1.00 53.55 H new ATOM 0 HG2 GLN A 13 -3.386 -0.553 -10.716 1.00 4.53 H new ATOM 0 HG3 GLN A 13 -2.890 -1.677 -9.466 1.00 4.53 H new ATOM 0 HE21 GLN A 13 -4.703 -3.071 -9.725 1.00 44.22 H new ATOM 0 HE22 GLN A 13 -6.345 -2.547 -9.337 1.00 44.22 H new ATOM 219 N ALA A 14 -1.136 1.635 -6.738 1.00 70.53 N ATOM 220 CA ALA A 14 -0.766 2.687 -5.782 1.00 75.41 C ATOM 221 C ALA A 14 0.630 3.261 -6.084 1.00 72.51 C ATOM 222 O ALA A 14 0.809 4.479 -6.169 1.00 53.40 O ATOM 223 CB ALA A 14 -0.826 2.142 -4.357 1.00 21.35 C ATOM 0 H ALA A 14 -1.382 0.745 -6.305 1.00 70.53 H new ATOM 0 HA ALA A 14 -1.483 3.502 -5.882 1.00 75.41 H new ATOM 0 HB1 ALA A 14 -0.550 2.929 -3.655 1.00 21.35 H new ATOM 0 HB2 ALA A 14 -1.838 1.801 -4.140 1.00 21.35 H new ATOM 0 HB3 ALA A 14 -0.132 1.307 -4.257 1.00 21.35 H new ATOM 229 N LEU A 15 1.609 2.371 -6.270 1.00 51.42 N ATOM 230 CA LEU A 15 2.988 2.770 -6.593 1.00 43.42 C ATOM 231 C LEU A 15 3.060 3.619 -7.875 1.00 75.32 C ATOM 232 O LEU A 15 3.876 4.537 -7.982 1.00 51.25 O ATOM 233 CB LEU A 15 3.874 1.526 -6.748 1.00 64.14 C ATOM 234 CG LEU A 15 4.044 0.675 -5.480 1.00 22.22 C ATOM 235 CD1 LEU A 15 4.858 -0.583 -5.775 1.00 75.14 C ATOM 236 CD2 LEU A 15 4.696 1.491 -4.367 1.00 50.35 C ATOM 0 H LEU A 15 1.474 1.362 -6.203 1.00 51.42 H new ATOM 0 HA LEU A 15 3.350 3.383 -5.767 1.00 43.42 H new ATOM 0 HB2 LEU A 15 3.454 0.897 -7.533 1.00 64.14 H new ATOM 0 HB3 LEU A 15 4.860 1.843 -7.087 1.00 64.14 H new ATOM 0 HG LEU A 15 3.054 0.367 -5.143 1.00 22.22 H new ATOM 0 HD11 LEU A 15 4.965 -1.169 -4.862 1.00 75.14 H new ATOM 0 HD12 LEU A 15 4.346 -1.179 -6.531 1.00 75.14 H new ATOM 0 HD13 LEU A 15 5.844 -0.300 -6.142 1.00 75.14 H new ATOM 0 HD21 LEU A 15 4.807 0.870 -3.478 1.00 50.35 H new ATOM 0 HD22 LEU A 15 5.677 1.835 -4.695 1.00 50.35 H new ATOM 0 HD23 LEU A 15 4.070 2.352 -4.132 1.00 50.35 H new ATOM 248 N GLN A 16 2.212 3.297 -8.852 1.00 44.32 N ATOM 249 CA GLN A 16 2.160 4.047 -10.115 1.00 74.33 C ATOM 250 C GLN A 16 1.326 5.335 -9.980 1.00 24.15 C ATOM 251 O GLN A 16 1.445 6.256 -10.792 1.00 4.23 O ATOM 252 CB GLN A 16 1.584 3.163 -11.231 1.00 3.32 C ATOM 253 CG GLN A 16 2.374 1.880 -11.480 1.00 4.53 C ATOM 254 CD GLN A 16 3.827 2.141 -11.836 1.00 21.11 C ATOM 255 OE1 GLN A 16 4.180 2.304 -12.999 1.00 75.44 O ATOM 256 NE2 GLN A 16 4.684 2.176 -10.837 1.00 2.32 N ATOM 0 H GLN A 16 1.550 2.523 -8.797 1.00 44.32 H new ATOM 0 HA GLN A 16 3.180 4.336 -10.370 1.00 74.33 H new ATOM 0 HB2 GLN A 16 0.556 2.901 -10.979 1.00 3.32 H new ATOM 0 HB3 GLN A 16 1.548 3.740 -12.155 1.00 3.32 H new ATOM 0 HG2 GLN A 16 2.330 1.254 -10.589 1.00 4.53 H new ATOM 0 HG3 GLN A 16 1.902 1.320 -12.287 1.00 4.53 H new ATOM 0 HE21 GLN A 16 4.358 2.037 -9.881 1.00 2.32 H new ATOM 0 HE22 GLN A 16 5.674 2.343 -11.020 1.00 2.32 H new ATOM 265 N THR A 17 0.479 5.391 -8.952 1.00 13.15 N ATOM 266 CA THR A 17 -0.372 6.565 -8.707 1.00 40.53 C ATOM 267 C THR A 17 0.410 7.696 -8.019 1.00 24.04 C ATOM 268 O THR A 17 0.242 8.868 -8.349 1.00 2.32 O ATOM 269 CB THR A 17 -1.613 6.197 -7.850 1.00 51.21 C ATOM 270 OG1 THR A 17 -2.378 5.173 -8.508 1.00 41.45 O ATOM 271 CG2 THR A 17 -2.507 7.411 -7.610 1.00 25.11 C ATOM 0 H THR A 17 0.361 4.639 -8.273 1.00 13.15 H new ATOM 0 HA THR A 17 -0.709 6.916 -9.682 1.00 40.53 H new ATOM 0 HB THR A 17 -1.253 5.835 -6.887 1.00 51.21 H new ATOM 0 HG1 THR A 17 -1.847 4.351 -8.560 1.00 41.45 H new ATOM 0 HG21 THR A 17 -3.366 7.117 -7.007 1.00 25.11 H new ATOM 0 HG22 THR A 17 -1.942 8.181 -7.085 1.00 25.11 H new ATOM 0 HG23 THR A 17 -2.853 7.803 -8.566 1.00 25.11 H new ATOM 279 N HIS A 18 1.256 7.340 -7.053 1.00 33.33 N ATOM 280 CA HIS A 18 2.102 8.317 -6.345 1.00 24.33 C ATOM 281 C HIS A 18 3.431 7.683 -5.892 1.00 34.12 C ATOM 282 O HIS A 18 3.435 6.637 -5.247 1.00 34.51 O ATOM 283 CB HIS A 18 1.361 8.899 -5.125 1.00 3.02 C ATOM 284 CG HIS A 18 0.599 10.164 -5.406 1.00 23.52 C ATOM 285 ND1 HIS A 18 -0.490 10.229 -6.246 1.00 11.45 N ATOM 286 CD2 HIS A 18 0.783 11.424 -4.944 1.00 23.31 C ATOM 287 CE1 HIS A 18 -0.940 11.466 -6.288 1.00 53.11 C ATOM 288 NE2 HIS A 18 -0.188 12.212 -5.509 1.00 42.31 N ATOM 0 H HIS A 18 1.378 6.378 -6.737 1.00 33.33 H new ATOM 0 HA HIS A 18 2.324 9.123 -7.045 1.00 24.33 H new ATOM 0 HB2 HIS A 18 0.668 8.149 -4.744 1.00 3.02 H new ATOM 0 HB3 HIS A 18 2.085 9.094 -4.334 1.00 3.02 H new ATOM 0 HD2 HIS A 18 1.552 11.748 -4.258 1.00 23.31 H new ATOM 0 HE1 HIS A 18 -1.785 11.810 -6.866 1.00 53.11 H new ATOM 0 HE2 HIS A 18 -0.307 13.213 -5.351 1.00 42.31 H new ATOM 297 N PRO A 19 4.576 8.323 -6.207 1.00 34.03 N ATOM 298 CA PRO A 19 5.913 7.808 -5.835 1.00 54.05 C ATOM 299 C PRO A 19 6.092 7.616 -4.316 1.00 5.22 C ATOM 300 O PRO A 19 6.730 6.660 -3.868 1.00 1.32 O ATOM 301 CB PRO A 19 6.872 8.895 -6.357 1.00 63.54 C ATOM 302 CG PRO A 19 6.100 9.608 -7.416 1.00 14.45 C ATOM 303 CD PRO A 19 4.666 9.587 -6.963 1.00 23.43 C ATOM 0 HA PRO A 19 6.088 6.818 -6.256 1.00 54.05 H new ATOM 0 HB2 PRO A 19 7.171 9.575 -5.559 1.00 63.54 H new ATOM 0 HB3 PRO A 19 7.785 8.457 -6.760 1.00 63.54 H new ATOM 0 HG2 PRO A 19 6.456 10.631 -7.538 1.00 14.45 H new ATOM 0 HG3 PRO A 19 6.212 9.114 -8.381 1.00 14.45 H new ATOM 0 HD2 PRO A 19 4.427 10.448 -6.339 1.00 23.43 H new ATOM 0 HD3 PRO A 19 3.976 9.603 -7.807 1.00 23.43 H new ATOM 311 N GLY A 20 5.512 8.526 -3.528 1.00 75.03 N ATOM 312 CA GLY A 20 5.645 8.468 -2.073 1.00 71.01 C ATOM 313 C GLY A 20 5.090 7.185 -1.456 1.00 31.41 C ATOM 314 O GLY A 20 5.444 6.827 -0.327 1.00 31.23 O ATOM 0 H GLY A 20 4.950 9.305 -3.871 1.00 75.03 H new ATOM 0 HA2 GLY A 20 6.699 8.561 -1.809 1.00 71.01 H new ATOM 0 HA3 GLY A 20 5.130 9.323 -1.636 1.00 71.01 H new ATOM 318 N VAL A 21 4.217 6.493 -2.192 1.00 53.14 N ATOM 319 CA VAL A 21 3.625 5.233 -1.721 1.00 74.01 C ATOM 320 C VAL A 21 4.708 4.187 -1.410 1.00 63.31 C ATOM 321 O VAL A 21 4.576 3.402 -0.470 1.00 65.34 O ATOM 322 CB VAL A 21 2.628 4.659 -2.763 1.00 12.52 C ATOM 323 CG1 VAL A 21 2.070 3.309 -2.313 1.00 62.12 C ATOM 324 CG2 VAL A 21 1.494 5.652 -3.021 1.00 52.24 C ATOM 0 H VAL A 21 3.902 6.782 -3.118 1.00 53.14 H new ATOM 0 HA VAL A 21 3.084 5.457 -0.802 1.00 74.01 H new ATOM 0 HB VAL A 21 3.171 4.500 -3.695 1.00 12.52 H new ATOM 0 HG11 VAL A 21 1.375 2.934 -3.064 1.00 62.12 H new ATOM 0 HG12 VAL A 21 2.889 2.600 -2.190 1.00 62.12 H new ATOM 0 HG13 VAL A 21 1.548 3.429 -1.364 1.00 62.12 H new ATOM 0 HG21 VAL A 21 0.804 5.234 -3.754 1.00 52.24 H new ATOM 0 HG22 VAL A 21 0.961 5.846 -2.090 1.00 52.24 H new ATOM 0 HG23 VAL A 21 1.908 6.585 -3.403 1.00 52.24 H new ATOM 334 N ALA A 22 5.788 4.198 -2.194 1.00 12.40 N ATOM 335 CA ALA A 22 6.910 3.277 -1.983 1.00 5.30 C ATOM 336 C ALA A 22 7.496 3.429 -0.570 1.00 44.53 C ATOM 337 O ALA A 22 7.721 2.441 0.131 1.00 51.53 O ATOM 338 CB ALA A 22 7.989 3.513 -3.037 1.00 30.32 C ATOM 0 H ALA A 22 5.911 4.834 -2.982 1.00 12.40 H new ATOM 0 HA ALA A 22 6.536 2.258 -2.081 1.00 5.30 H new ATOM 0 HB1 ALA A 22 8.817 2.824 -2.871 1.00 30.32 H new ATOM 0 HB2 ALA A 22 7.571 3.345 -4.030 1.00 30.32 H new ATOM 0 HB3 ALA A 22 8.350 4.539 -2.964 1.00 30.32 H new ATOM 344 N GLY A 23 7.725 4.677 -0.158 1.00 12.04 N ATOM 345 CA GLY A 23 8.233 4.947 1.185 1.00 72.52 C ATOM 346 C GLY A 23 7.258 4.525 2.284 1.00 12.04 C ATOM 347 O GLY A 23 7.661 3.959 3.303 1.00 61.23 O ATOM 0 H GLY A 23 7.568 5.508 -0.729 1.00 12.04 H new ATOM 0 HA2 GLY A 23 9.178 4.422 1.323 1.00 72.52 H new ATOM 0 HA3 GLY A 23 8.443 6.012 1.282 1.00 72.52 H new ATOM 351 N VAL A 24 5.970 4.789 2.066 1.00 15.12 N ATOM 352 CA VAL A 24 4.924 4.411 3.026 1.00 61.40 C ATOM 353 C VAL A 24 4.880 2.889 3.234 1.00 43.42 C ATOM 354 O VAL A 24 4.979 2.400 4.360 1.00 25.24 O ATOM 355 CB VAL A 24 3.528 4.903 2.561 1.00 63.24 C ATOM 356 CG1 VAL A 24 2.443 4.500 3.561 1.00 75.31 C ATOM 357 CG2 VAL A 24 3.533 6.415 2.353 1.00 34.11 C ATOM 0 H VAL A 24 5.622 5.264 1.233 1.00 15.12 H new ATOM 0 HA VAL A 24 5.174 4.892 3.972 1.00 61.40 H new ATOM 0 HB VAL A 24 3.302 4.425 1.608 1.00 63.24 H new ATOM 0 HG11 VAL A 24 1.475 4.857 3.211 1.00 75.31 H new ATOM 0 HG12 VAL A 24 2.418 3.414 3.653 1.00 75.31 H new ATOM 0 HG13 VAL A 24 2.662 4.941 4.533 1.00 75.31 H new ATOM 0 HG21 VAL A 24 2.545 6.741 2.027 1.00 34.11 H new ATOM 0 HG22 VAL A 24 3.788 6.910 3.290 1.00 34.11 H new ATOM 0 HG23 VAL A 24 4.270 6.675 1.593 1.00 34.11 H new ATOM 367 N LEU A 25 4.751 2.144 2.136 1.00 21.43 N ATOM 368 CA LEU A 25 4.679 0.680 2.195 1.00 53.42 C ATOM 369 C LEU A 25 5.931 0.078 2.857 1.00 34.04 C ATOM 370 O LEU A 25 5.829 -0.838 3.673 1.00 40.33 O ATOM 371 CB LEU A 25 4.477 0.101 0.788 1.00 72.41 C ATOM 372 CG LEU A 25 3.183 0.548 0.083 1.00 4.43 C ATOM 373 CD1 LEU A 25 3.087 -0.059 -1.312 1.00 43.21 C ATOM 374 CD2 LEU A 25 1.955 0.188 0.918 1.00 12.05 C ATOM 0 H LEU A 25 4.694 2.529 1.193 1.00 21.43 H new ATOM 0 HA LEU A 25 3.822 0.411 2.812 1.00 53.42 H new ATOM 0 HB2 LEU A 25 5.328 0.385 0.168 1.00 72.41 H new ATOM 0 HB3 LEU A 25 4.480 -0.987 0.855 1.00 72.41 H new ATOM 0 HG LEU A 25 3.214 1.633 -0.022 1.00 4.43 H new ATOM 0 HD11 LEU A 25 2.165 0.271 -1.790 1.00 43.21 H new ATOM 0 HD12 LEU A 25 3.940 0.263 -1.909 1.00 43.21 H new ATOM 0 HD13 LEU A 25 3.087 -1.146 -1.236 1.00 43.21 H new ATOM 0 HD21 LEU A 25 1.054 0.514 0.399 1.00 12.05 H new ATOM 0 HD22 LEU A 25 1.919 -0.891 1.065 1.00 12.05 H new ATOM 0 HD23 LEU A 25 2.015 0.684 1.887 1.00 12.05 H new ATOM 386 N ARG A 26 7.105 0.608 2.514 1.00 65.41 N ATOM 387 CA ARG A 26 8.360 0.189 3.158 1.00 34.40 C ATOM 388 C ARG A 26 8.330 0.468 4.671 1.00 61.30 C ATOM 389 O ARG A 26 8.714 -0.381 5.478 1.00 52.32 O ATOM 390 CB ARG A 26 9.559 0.900 2.511 1.00 30.41 C ATOM 391 CG ARG A 26 9.910 0.367 1.127 1.00 50.35 C ATOM 392 CD ARG A 26 11.049 1.152 0.482 1.00 21.53 C ATOM 393 NE ARG A 26 12.215 1.274 1.361 1.00 64.14 N ATOM 394 CZ ARG A 26 13.219 0.435 1.389 1.00 54.44 C ATOM 395 NH1 ARG A 26 13.213 -0.640 0.668 1.00 31.43 N ATOM 396 NH2 ARG A 26 14.220 0.667 2.169 1.00 53.41 N ATOM 0 H ARG A 26 7.218 1.325 1.798 1.00 65.41 H new ATOM 0 HA ARG A 26 8.467 -0.886 3.014 1.00 34.40 H new ATOM 0 HB2 ARG A 26 9.342 1.966 2.437 1.00 30.41 H new ATOM 0 HB3 ARG A 26 10.427 0.796 3.162 1.00 30.41 H new ATOM 0 HG2 ARG A 26 10.192 -0.683 1.204 1.00 50.35 H new ATOM 0 HG3 ARG A 26 9.029 0.414 0.487 1.00 50.35 H new ATOM 0 HD2 ARG A 26 11.346 0.660 -0.444 1.00 21.53 H new ATOM 0 HD3 ARG A 26 10.694 2.147 0.214 1.00 21.53 H new ATOM 0 HE ARG A 26 12.246 2.071 1.997 1.00 64.14 H new ATOM 0 HH11 ARG A 26 12.417 -0.845 0.065 1.00 31.43 H new ATOM 0 HH12 ARG A 26 14.005 -1.282 0.703 1.00 31.43 H new ATOM 0 HH21 ARG A 26 14.225 1.500 2.758 1.00 53.41 H new ATOM 0 HH22 ARG A 26 15.006 0.018 2.197 1.00 53.41 H new ATOM 410 N SER A 27 7.858 1.658 5.043 1.00 24.14 N ATOM 411 CA SER A 27 7.716 2.033 6.459 1.00 41.30 C ATOM 412 C SER A 27 6.811 1.042 7.212 1.00 25.23 C ATOM 413 O SER A 27 7.114 0.631 8.333 1.00 51.33 O ATOM 414 CB SER A 27 7.142 3.454 6.583 1.00 44.32 C ATOM 415 OG SER A 27 6.960 3.827 7.941 1.00 62.44 O ATOM 0 H SER A 27 7.566 2.382 4.387 1.00 24.14 H new ATOM 0 HA SER A 27 8.708 2.004 6.909 1.00 41.30 H new ATOM 0 HB2 SER A 27 7.814 4.162 6.097 1.00 44.32 H new ATOM 0 HB3 SER A 27 6.188 3.509 6.059 1.00 44.32 H new ATOM 0 HG SER A 27 6.595 4.736 7.985 1.00 62.44 H new ATOM 421 N TYR A 28 5.705 0.649 6.576 1.00 70.14 N ATOM 422 CA TYR A 28 4.758 -0.312 7.164 1.00 62.13 C ATOM 423 C TYR A 28 5.159 -1.777 6.887 1.00 35.55 C ATOM 424 O TYR A 28 4.319 -2.672 6.953 1.00 61.33 O ATOM 425 CB TYR A 28 3.342 -0.052 6.622 1.00 21.21 C ATOM 426 CG TYR A 28 2.667 1.182 7.200 1.00 30.51 C ATOM 427 CD1 TYR A 28 2.948 2.454 6.710 1.00 35.33 C ATOM 428 CD2 TYR A 28 1.737 1.068 8.229 1.00 54.14 C ATOM 429 CE1 TYR A 28 2.326 3.573 7.232 1.00 14.12 C ATOM 430 CE2 TYR A 28 1.109 2.182 8.753 1.00 41.50 C ATOM 431 CZ TYR A 28 1.405 3.431 8.249 1.00 23.12 C ATOM 432 OH TYR A 28 0.782 4.544 8.766 1.00 71.40 O ATOM 0 H TYR A 28 5.439 0.981 5.649 1.00 70.14 H new ATOM 0 HA TYR A 28 4.778 -0.165 8.244 1.00 62.13 H new ATOM 0 HB2 TYR A 28 3.394 0.051 5.538 1.00 21.21 H new ATOM 0 HB3 TYR A 28 2.720 -0.923 6.830 1.00 21.21 H new ATOM 0 HD1 TYR A 28 3.663 2.569 5.909 1.00 35.33 H new ATOM 0 HD2 TYR A 28 1.502 0.091 8.625 1.00 54.14 H new ATOM 0 HE1 TYR A 28 2.560 4.554 6.845 1.00 14.12 H new ATOM 0 HE2 TYR A 28 0.391 2.075 9.552 1.00 41.50 H new ATOM 0 HH TYR A 28 0.095 4.266 9.407 1.00 71.40 H new ATOM 442 N ASN A 29 6.437 -2.013 6.566 1.00 43.53 N ATOM 443 CA ASN A 29 6.974 -3.380 6.378 1.00 4.15 C ATOM 444 C ASN A 29 6.431 -4.061 5.097 1.00 4.12 C ATOM 445 O ASN A 29 6.852 -5.165 4.740 1.00 75.45 O ATOM 446 CB ASN A 29 6.674 -4.234 7.627 1.00 22.51 C ATOM 447 CG ASN A 29 7.294 -5.621 7.574 1.00 42.33 C ATOM 448 OD1 ASN A 29 6.668 -6.579 7.128 1.00 3.41 O ATOM 449 ND2 ASN A 29 8.523 -5.739 8.032 1.00 13.31 N ATOM 0 H ASN A 29 7.127 -1.275 6.429 1.00 43.53 H new ATOM 0 HA ASN A 29 8.053 -3.297 6.248 1.00 4.15 H new ATOM 0 HB2 ASN A 29 7.042 -3.713 8.511 1.00 22.51 H new ATOM 0 HB3 ASN A 29 5.594 -4.331 7.741 1.00 22.51 H new ATOM 0 HD21 ASN A 29 8.985 -6.648 8.024 1.00 13.31 H new ATOM 0 HD22 ASN A 29 9.013 -4.921 8.395 1.00 13.31 H new ATOM 456 N LEU A 30 5.527 -3.390 4.388 1.00 0.55 N ATOM 457 CA LEU A 30 4.920 -3.950 3.171 1.00 32.43 C ATOM 458 C LEU A 30 5.865 -3.862 1.960 1.00 50.11 C ATOM 459 O LEU A 30 5.541 -4.349 0.883 1.00 65.32 O ATOM 460 CB LEU A 30 3.598 -3.237 2.849 1.00 61.32 C ATOM 461 CG LEU A 30 2.514 -3.331 3.936 1.00 73.11 C ATOM 462 CD1 LEU A 30 1.245 -2.611 3.493 1.00 33.52 C ATOM 463 CD2 LEU A 30 2.208 -4.788 4.276 1.00 2.03 C ATOM 0 H LEU A 30 5.195 -2.457 4.631 1.00 0.55 H new ATOM 0 HA LEU A 30 4.726 -5.004 3.369 1.00 32.43 H new ATOM 0 HB2 LEU A 30 3.809 -2.184 2.661 1.00 61.32 H new ATOM 0 HB3 LEU A 30 3.197 -3.652 1.924 1.00 61.32 H new ATOM 0 HG LEU A 30 2.894 -2.843 4.834 1.00 73.11 H new ATOM 0 HD11 LEU A 30 0.490 -2.689 4.276 1.00 33.52 H new ATOM 0 HD12 LEU A 30 1.469 -1.560 3.308 1.00 33.52 H new ATOM 0 HD13 LEU A 30 0.868 -3.068 2.578 1.00 33.52 H new ATOM 0 HD21 LEU A 30 1.439 -4.828 5.047 1.00 2.03 H new ATOM 0 HD22 LEU A 30 1.854 -5.303 3.383 1.00 2.03 H new ATOM 0 HD23 LEU A 30 3.113 -5.274 4.641 1.00 2.03 H new ATOM 475 N GLY A 31 7.038 -3.255 2.144 1.00 62.14 N ATOM 476 CA GLY A 31 8.022 -3.150 1.060 1.00 22.02 C ATOM 477 C GLY A 31 8.417 -4.502 0.458 1.00 44.03 C ATOM 478 O GLY A 31 8.957 -4.570 -0.651 1.00 45.25 O ATOM 0 H GLY A 31 7.331 -2.831 3.024 1.00 62.14 H new ATOM 0 HA2 GLY A 31 7.616 -2.515 0.272 1.00 22.02 H new ATOM 0 HA3 GLY A 31 8.916 -2.655 1.439 1.00 22.02 H new ATOM 482 N CYS A 32 8.140 -5.582 1.184 1.00 44.24 N ATOM 483 CA CYS A 32 8.437 -6.944 0.714 1.00 61.25 C ATOM 484 C CYS A 32 7.541 -7.351 -0.474 1.00 65.11 C ATOM 485 O CYS A 32 7.782 -8.375 -1.121 1.00 61.43 O ATOM 486 CB CYS A 32 8.266 -7.946 1.861 1.00 71.13 C ATOM 487 SG CYS A 32 9.217 -7.548 3.349 1.00 35.34 S ATOM 0 H CYS A 32 7.707 -5.546 2.107 1.00 44.24 H new ATOM 0 HA CYS A 32 9.471 -6.953 0.370 1.00 61.25 H new ATOM 0 HB2 CYS A 32 7.210 -8.002 2.124 1.00 71.13 H new ATOM 0 HB3 CYS A 32 8.560 -8.935 1.510 1.00 71.13 H new ATOM 0 HG CYS A 32 8.558 -6.689 4.069 1.00 35.34 H new ATOM 493 N ILE A 33 6.508 -6.551 -0.759 1.00 54.24 N ATOM 494 CA ILE A 33 5.638 -6.785 -1.921 1.00 44.41 C ATOM 495 C ILE A 33 6.451 -6.868 -3.220 1.00 23.32 C ATOM 496 O ILE A 33 6.134 -7.659 -4.111 1.00 53.55 O ATOM 497 CB ILE A 33 4.568 -5.676 -2.076 1.00 13.04 C ATOM 498 CG1 ILE A 33 5.241 -4.292 -2.162 1.00 42.23 C ATOM 499 CG2 ILE A 33 3.565 -5.737 -0.923 1.00 12.35 C ATOM 500 CD1 ILE A 33 4.279 -3.148 -2.392 1.00 40.31 C ATOM 0 H ILE A 33 6.252 -5.735 -0.202 1.00 54.24 H new ATOM 0 HA ILE A 33 5.139 -7.737 -1.740 1.00 44.41 H new ATOM 0 HB ILE A 33 4.020 -5.841 -3.004 1.00 13.04 H new ATOM 0 HG12 ILE A 33 5.791 -4.110 -1.239 1.00 42.23 H new ATOM 0 HG13 ILE A 33 5.972 -4.305 -2.971 1.00 42.23 H new ATOM 0 HG21 ILE A 33 2.820 -4.951 -1.047 1.00 12.35 H new ATOM 0 HG22 ILE A 33 3.071 -6.709 -0.922 1.00 12.35 H new ATOM 0 HG23 ILE A 33 4.088 -5.595 0.022 1.00 12.35 H new ATOM 0 HD11 ILE A 33 4.833 -2.211 -2.440 1.00 40.31 H new ATOM 0 HD12 ILE A 33 3.747 -3.303 -3.330 1.00 40.31 H new ATOM 0 HD13 ILE A 33 3.563 -3.104 -1.572 1.00 40.31 H new ATOM 512 N GLY A 34 7.495 -6.043 -3.316 1.00 24.21 N ATOM 513 CA GLY A 34 8.411 -6.101 -4.450 1.00 22.41 C ATOM 514 C GLY A 34 9.499 -7.148 -4.245 1.00 41.34 C ATOM 515 O GLY A 34 10.692 -6.858 -4.352 1.00 41.30 O ATOM 0 H GLY A 34 7.725 -5.330 -2.623 1.00 24.21 H new ATOM 0 HA2 GLY A 34 7.852 -6.330 -5.357 1.00 22.41 H new ATOM 0 HA3 GLY A 34 8.870 -5.123 -4.597 1.00 22.41 H new ATOM 519 N CYS A 35 9.068 -8.368 -3.938 1.00 71.53 N ATOM 520 CA CYS A 35 9.975 -9.478 -3.626 1.00 12.10 C ATOM 521 C CYS A 35 9.193 -10.798 -3.509 1.00 13.43 C ATOM 522 O CYS A 35 9.619 -11.837 -4.018 1.00 71.40 O ATOM 523 CB CYS A 35 10.726 -9.198 -2.315 1.00 0.24 C ATOM 524 SG CYS A 35 11.946 -10.453 -1.870 1.00 22.32 S ATOM 0 H CYS A 35 8.080 -8.619 -3.897 1.00 71.53 H new ATOM 0 HA CYS A 35 10.697 -9.570 -4.437 1.00 12.10 H new ATOM 0 HB2 CYS A 35 11.228 -8.234 -2.397 1.00 0.24 H new ATOM 0 HB3 CYS A 35 10.000 -9.112 -1.506 1.00 0.24 H new ATOM 0 HG CYS A 35 12.522 -10.121 -0.753 1.00 22.32 H new ATOM 530 N MET A 36 8.044 -10.748 -2.829 1.00 35.24 N ATOM 531 CA MET A 36 7.171 -11.927 -2.683 1.00 34.40 C ATOM 532 C MET A 36 6.162 -12.049 -3.842 1.00 74.35 C ATOM 533 O MET A 36 5.356 -12.979 -3.876 1.00 71.33 O ATOM 534 CB MET A 36 6.408 -11.868 -1.352 1.00 73.24 C ATOM 535 CG MET A 36 5.392 -10.734 -1.276 1.00 52.50 C ATOM 536 SD MET A 36 4.399 -10.781 0.229 1.00 32.41 S ATOM 537 CE MET A 36 3.594 -12.376 0.067 1.00 53.21 C ATOM 0 H MET A 36 7.693 -9.907 -2.370 1.00 35.24 H new ATOM 0 HA MET A 36 7.818 -12.804 -2.702 1.00 34.40 H new ATOM 0 HB2 MET A 36 5.893 -12.816 -1.197 1.00 73.24 H new ATOM 0 HB3 MET A 36 7.124 -11.757 -0.538 1.00 73.24 H new ATOM 0 HG2 MET A 36 5.916 -9.780 -1.330 1.00 52.50 H new ATOM 0 HG3 MET A 36 4.732 -10.785 -2.142 1.00 52.50 H new ATOM 0 HE1 MET A 36 2.680 -12.384 0.660 1.00 53.21 H new ATOM 0 HE2 MET A 36 3.349 -12.555 -0.980 1.00 53.21 H new ATOM 0 HE3 MET A 36 4.264 -13.159 0.422 1.00 53.21 H new ATOM 547 N GLY A 37 6.205 -11.105 -4.782 1.00 4.42 N ATOM 548 CA GLY A 37 5.272 -11.118 -5.907 1.00 55.21 C ATOM 549 C GLY A 37 3.845 -10.739 -5.513 1.00 11.21 C ATOM 550 O GLY A 37 2.883 -11.338 -5.994 1.00 63.32 O ATOM 0 H GLY A 37 6.868 -10.330 -4.787 1.00 4.42 H new ATOM 0 HA2 GLY A 37 5.626 -10.427 -6.672 1.00 55.21 H new ATOM 0 HA3 GLY A 37 5.266 -12.112 -6.354 1.00 55.21 H new ATOM 554 N ALA A 38 3.703 -9.733 -4.650 1.00 11.24 N ATOM 555 CA ALA A 38 2.379 -9.293 -4.174 1.00 11.23 C ATOM 556 C ALA A 38 1.921 -7.996 -4.863 1.00 14.10 C ATOM 557 O ALA A 38 1.004 -7.322 -4.398 1.00 42.53 O ATOM 558 CB ALA A 38 2.408 -9.107 -2.658 1.00 20.42 C ATOM 0 H ALA A 38 4.484 -9.204 -4.263 1.00 11.24 H new ATOM 0 HA ALA A 38 1.658 -10.069 -4.432 1.00 11.23 H new ATOM 0 HB1 ALA A 38 1.427 -8.782 -2.312 1.00 20.42 H new ATOM 0 HB2 ALA A 38 2.666 -10.052 -2.180 1.00 20.42 H new ATOM 0 HB3 ALA A 38 3.152 -8.354 -2.398 1.00 20.42 H new ATOM 564 N GLN A 39 2.548 -7.665 -5.990 1.00 14.25 N ATOM 565 CA GLN A 39 2.256 -6.414 -6.708 1.00 34.44 C ATOM 566 C GLN A 39 0.787 -6.322 -7.159 1.00 30.21 C ATOM 567 O GLN A 39 0.180 -5.250 -7.110 1.00 72.53 O ATOM 568 CB GLN A 39 3.182 -6.279 -7.925 1.00 55.43 C ATOM 569 CG GLN A 39 4.664 -6.205 -7.568 1.00 33.40 C ATOM 570 CD GLN A 39 5.027 -4.950 -6.786 1.00 4.04 C ATOM 571 OE1 GLN A 39 5.357 -3.921 -7.361 1.00 51.42 O ATOM 572 NE2 GLN A 39 4.981 -5.028 -5.470 1.00 25.01 N ATOM 0 H GLN A 39 3.264 -8.243 -6.431 1.00 14.25 H new ATOM 0 HA GLN A 39 2.434 -5.595 -6.011 1.00 34.44 H new ATOM 0 HB2 GLN A 39 3.020 -7.128 -8.589 1.00 55.43 H new ATOM 0 HB3 GLN A 39 2.907 -5.383 -8.481 1.00 55.43 H new ATOM 0 HG2 GLN A 39 4.935 -7.083 -6.981 1.00 33.40 H new ATOM 0 HG3 GLN A 39 5.255 -6.239 -8.484 1.00 33.40 H new ATOM 0 HE21 GLN A 39 4.702 -5.900 -5.020 1.00 25.01 H new ATOM 0 HE22 GLN A 39 5.224 -4.216 -4.902 1.00 25.01 H new ATOM 581 N ASN A 40 0.219 -7.448 -7.587 1.00 41.51 N ATOM 582 CA ASN A 40 -1.149 -7.475 -8.128 1.00 74.25 C ATOM 583 C ASN A 40 -2.185 -7.861 -7.054 1.00 1.32 C ATOM 584 O ASN A 40 -3.305 -8.268 -7.373 1.00 14.44 O ATOM 585 CB ASN A 40 -1.219 -8.456 -9.304 1.00 62.43 C ATOM 586 CG ASN A 40 -0.169 -8.165 -10.358 1.00 4.43 C ATOM 587 OD1 ASN A 40 -0.381 -7.371 -11.268 1.00 63.34 O ATOM 588 ND2 ASN A 40 0.977 -8.805 -10.245 1.00 54.13 N ATOM 0 H ASN A 40 0.681 -8.357 -7.572 1.00 41.51 H new ATOM 0 HA ASN A 40 -1.393 -6.470 -8.471 1.00 74.25 H new ATOM 0 HB2 ASN A 40 -1.088 -9.473 -8.934 1.00 62.43 H new ATOM 0 HB3 ASN A 40 -2.209 -8.407 -9.757 1.00 62.43 H new ATOM 0 HD21 ASN A 40 1.719 -8.646 -10.926 1.00 54.13 H new ATOM 0 HD22 ASN A 40 1.122 -9.459 -9.476 1.00 54.13 H new ATOM 595 N GLU A 41 -1.815 -7.713 -5.785 1.00 14.52 N ATOM 596 CA GLU A 41 -2.721 -8.013 -4.670 1.00 51.13 C ATOM 597 C GLU A 41 -3.242 -6.718 -4.019 1.00 51.12 C ATOM 598 O GLU A 41 -2.536 -5.709 -3.972 1.00 40.15 O ATOM 599 CB GLU A 41 -2.002 -8.898 -3.638 1.00 3.15 C ATOM 600 CG GLU A 41 -2.854 -9.269 -2.427 1.00 41.51 C ATOM 601 CD GLU A 41 -2.276 -10.433 -1.633 1.00 71.22 C ATOM 602 OE1 GLU A 41 -1.224 -10.265 -0.987 1.00 45.02 O ATOM 603 OE2 GLU A 41 -2.864 -11.538 -1.674 1.00 61.22 O ATOM 0 H GLU A 41 -0.892 -7.386 -5.498 1.00 14.52 H new ATOM 0 HA GLU A 41 -3.584 -8.556 -5.056 1.00 51.13 H new ATOM 0 HB2 GLU A 41 -1.671 -9.813 -4.129 1.00 3.15 H new ATOM 0 HB3 GLU A 41 -1.107 -8.380 -3.293 1.00 3.15 H new ATOM 0 HG2 GLU A 41 -2.947 -8.401 -1.775 1.00 41.51 H new ATOM 0 HG3 GLU A 41 -3.859 -9.526 -2.761 1.00 41.51 H new ATOM 610 N SER A 42 -4.489 -6.747 -3.540 1.00 74.43 N ATOM 611 CA SER A 42 -5.116 -5.565 -2.921 1.00 1.43 C ATOM 612 C SER A 42 -4.381 -5.130 -1.648 1.00 0.42 C ATOM 613 O SER A 42 -3.826 -5.962 -0.925 1.00 4.24 O ATOM 614 CB SER A 42 -6.584 -5.857 -2.569 1.00 15.14 C ATOM 615 OG SER A 42 -7.307 -6.347 -3.689 1.00 65.42 O ATOM 0 H SER A 42 -5.087 -7.573 -3.567 1.00 74.43 H new ATOM 0 HA SER A 42 -5.059 -4.757 -3.651 1.00 1.43 H new ATOM 0 HB2 SER A 42 -6.626 -6.588 -1.761 1.00 15.14 H new ATOM 0 HB3 SER A 42 -7.057 -4.947 -2.200 1.00 15.14 H new ATOM 0 HG SER A 42 -7.647 -5.593 -4.214 1.00 65.42 H new ATOM 621 N LEU A 43 -4.420 -3.828 -1.358 1.00 55.15 N ATOM 622 CA LEU A 43 -3.750 -3.268 -0.176 1.00 24.41 C ATOM 623 C LEU A 43 -4.168 -3.984 1.123 1.00 72.34 C ATOM 624 O LEU A 43 -3.315 -4.389 1.915 1.00 3.24 O ATOM 625 CB LEU A 43 -4.035 -1.759 -0.060 1.00 53.01 C ATOM 626 CG LEU A 43 -3.490 -0.889 -1.206 1.00 15.23 C ATOM 627 CD1 LEU A 43 -3.801 0.584 -0.964 1.00 52.25 C ATOM 628 CD2 LEU A 43 -1.988 -1.096 -1.370 1.00 73.14 C ATOM 0 H LEU A 43 -4.910 -3.137 -1.926 1.00 55.15 H new ATOM 0 HA LEU A 43 -2.680 -3.425 -0.310 1.00 24.41 H new ATOM 0 HB2 LEU A 43 -5.114 -1.615 0.000 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -3.613 -1.399 0.878 1.00 53.01 H new ATOM 0 HG LEU A 43 -3.984 -1.196 -2.128 1.00 15.23 H new ATOM 0 HD11 LEU A 43 -3.406 1.179 -1.787 1.00 52.25 H new ATOM 0 HD12 LEU A 43 -4.880 0.722 -0.901 1.00 52.25 H new ATOM 0 HD13 LEU A 43 -3.339 0.905 -0.030 1.00 52.25 H new ATOM 0 HD21 LEU A 43 -1.622 -0.472 -2.185 1.00 73.14 H new ATOM 0 HD22 LEU A 43 -1.480 -0.821 -0.446 1.00 73.14 H new ATOM 0 HD23 LEU A 43 -1.788 -2.143 -1.596 1.00 73.14 H new ATOM 640 N GLU A 44 -5.478 -4.150 1.340 1.00 11.30 N ATOM 641 CA GLU A 44 -5.970 -4.790 2.571 1.00 3.33 C ATOM 642 C GLU A 44 -5.551 -6.265 2.661 1.00 32.22 C ATOM 643 O GLU A 44 -5.219 -6.758 3.742 1.00 61.11 O ATOM 644 CB GLU A 44 -7.497 -4.666 2.697 1.00 11.32 C ATOM 645 CG GLU A 44 -8.046 -5.277 3.988 1.00 41.11 C ATOM 646 CD GLU A 44 -9.459 -4.820 4.326 1.00 21.42 C ATOM 647 OE1 GLU A 44 -10.431 -5.453 3.861 1.00 23.35 O ATOM 648 OE2 GLU A 44 -9.604 -3.832 5.078 1.00 54.50 O ATOM 0 H GLU A 44 -6.209 -3.856 0.692 1.00 11.30 H new ATOM 0 HA GLU A 44 -5.508 -4.258 3.403 1.00 3.33 H new ATOM 0 HB2 GLU A 44 -7.774 -3.613 2.654 1.00 11.32 H new ATOM 0 HB3 GLU A 44 -7.967 -5.154 1.843 1.00 11.32 H new ATOM 0 HG2 GLU A 44 -8.036 -6.363 3.899 1.00 41.11 H new ATOM 0 HG3 GLU A 44 -7.382 -5.019 4.813 1.00 41.11 H new ATOM 655 N GLN A 45 -5.554 -6.965 1.528 1.00 70.15 N ATOM 656 CA GLN A 45 -5.129 -8.369 1.495 1.00 13.15 C ATOM 657 C GLN A 45 -3.665 -8.517 1.953 1.00 55.04 C ATOM 658 O GLN A 45 -3.353 -9.358 2.800 1.00 51.11 O ATOM 659 CB GLN A 45 -5.319 -8.969 0.092 1.00 1.11 C ATOM 660 CG GLN A 45 -6.780 -9.183 -0.300 1.00 62.21 C ATOM 661 CD GLN A 45 -6.935 -9.926 -1.622 1.00 4.52 C ATOM 662 OE1 GLN A 45 -7.070 -9.196 -2.714 1.00 34.33 O flip ATOM 663 NE2 GLN A 45 -6.955 -11.150 -1.659 1.00 2.11 N flip ATOM 0 H GLN A 45 -5.843 -6.589 0.625 1.00 70.15 H new ATOM 0 HA GLN A 45 -5.760 -8.922 2.191 1.00 13.15 H new ATOM 0 HB2 GLN A 45 -4.850 -8.311 -0.640 1.00 1.11 H new ATOM 0 HB3 GLN A 45 -4.797 -9.924 0.043 1.00 1.11 H new ATOM 0 HG2 GLN A 45 -7.284 -9.743 0.487 1.00 62.21 H new ATOM 0 HG3 GLN A 45 -7.277 -8.216 -0.372 1.00 62.21 H new ATOM 0 HE21 GLN A 45 -6.848 -11.688 -0.799 1.00 2.11 H new ATOM 0 HE22 GLN A 45 -7.078 -11.631 -2.550 1.00 2.11 H new ATOM 672 N GLY A 46 -2.779 -7.687 1.402 1.00 55.23 N ATOM 673 CA GLY A 46 -1.379 -7.696 1.820 1.00 54.35 C ATOM 674 C GLY A 46 -1.184 -7.242 3.269 1.00 34.14 C ATOM 675 O GLY A 46 -0.360 -7.797 4.003 1.00 34.23 O ATOM 0 H GLY A 46 -3.003 -7.008 0.674 1.00 55.23 H new ATOM 0 HA2 GLY A 46 -0.977 -8.703 1.703 1.00 54.35 H new ATOM 0 HA3 GLY A 46 -0.805 -7.045 1.161 1.00 54.35 H new ATOM 679 N ALA A 47 -1.945 -6.228 3.684 1.00 23.55 N ATOM 680 CA ALA A 47 -1.898 -5.734 5.066 1.00 0.20 C ATOM 681 C ALA A 47 -2.252 -6.843 6.070 1.00 12.50 C ATOM 682 O ALA A 47 -1.482 -7.132 6.992 1.00 52.24 O ATOM 683 CB ALA A 47 -2.836 -4.542 5.232 1.00 4.24 C ATOM 0 H ALA A 47 -2.603 -5.731 3.084 1.00 23.55 H new ATOM 0 HA ALA A 47 -0.878 -5.412 5.275 1.00 0.20 H new ATOM 0 HB1 ALA A 47 -2.792 -4.185 6.261 1.00 4.24 H new ATOM 0 HB2 ALA A 47 -2.531 -3.742 4.557 1.00 4.24 H new ATOM 0 HB3 ALA A 47 -3.856 -4.846 4.997 1.00 4.24 H new ATOM 689 N ASN A 48 -3.413 -7.474 5.874 1.00 4.14 N ATOM 690 CA ASN A 48 -3.847 -8.595 6.720 1.00 42.14 C ATOM 691 C ASN A 48 -2.818 -9.736 6.732 1.00 71.21 C ATOM 692 O ASN A 48 -2.643 -10.409 7.748 1.00 54.32 O ATOM 693 CB ASN A 48 -5.217 -9.117 6.263 1.00 15.31 C ATOM 694 CG ASN A 48 -6.354 -8.206 6.690 1.00 25.21 C ATOM 695 OD1 ASN A 48 -6.288 -7.563 7.735 1.00 14.53 O ATOM 696 ND2 ASN A 48 -7.403 -8.141 5.896 1.00 55.42 N ATOM 0 H ASN A 48 -4.072 -7.229 5.136 1.00 4.14 H new ATOM 0 HA ASN A 48 -3.933 -8.218 7.739 1.00 42.14 H new ATOM 0 HB2 ASN A 48 -5.222 -9.216 5.177 1.00 15.31 H new ATOM 0 HB3 ASN A 48 -5.379 -10.113 6.674 1.00 15.31 H new ATOM 0 HD21 ASN A 48 -8.192 -7.544 6.142 1.00 55.42 H new ATOM 0 HD22 ASN A 48 -7.426 -8.688 5.035 1.00 55.42 H new ATOM 703 N ALA A 49 -2.128 -9.941 5.610 1.00 74.32 N ATOM 704 CA ALA A 49 -1.060 -10.947 5.532 1.00 65.40 C ATOM 705 C ALA A 49 0.048 -10.667 6.563 1.00 53.54 C ATOM 706 O ALA A 49 0.602 -11.588 7.166 1.00 52.23 O ATOM 707 CB ALA A 49 -0.478 -10.995 4.122 1.00 12.15 C ATOM 0 H ALA A 49 -2.286 -9.427 4.743 1.00 74.32 H new ATOM 0 HA ALA A 49 -1.495 -11.919 5.766 1.00 65.40 H new ATOM 0 HB1 ALA A 49 0.312 -11.745 4.080 1.00 12.15 H new ATOM 0 HB2 ALA A 49 -1.264 -11.255 3.413 1.00 12.15 H new ATOM 0 HB3 ALA A 49 -0.066 -10.019 3.865 1.00 12.15 H new ATOM 713 N HIS A 50 0.367 -9.384 6.761 1.00 1.12 N ATOM 714 CA HIS A 50 1.353 -8.971 7.775 1.00 42.13 C ATOM 715 C HIS A 50 0.684 -8.704 9.137 1.00 23.23 C ATOM 716 O HIS A 50 1.362 -8.519 10.147 1.00 64.13 O ATOM 717 CB HIS A 50 2.116 -7.719 7.311 1.00 55.30 C ATOM 718 CG HIS A 50 3.002 -7.951 6.120 1.00 65.45 C ATOM 719 ND1 HIS A 50 4.370 -7.750 6.138 1.00 72.12 N ATOM 720 CD2 HIS A 50 2.707 -8.352 4.859 1.00 25.44 C ATOM 721 CE1 HIS A 50 4.870 -8.018 4.951 1.00 2.10 C ATOM 722 NE2 HIS A 50 3.885 -8.384 4.159 1.00 22.30 N ATOM 0 H HIS A 50 -0.041 -8.611 6.235 1.00 1.12 H new ATOM 0 HA HIS A 50 2.059 -9.793 7.898 1.00 42.13 H new ATOM 0 HB2 HIS A 50 1.397 -6.936 7.069 1.00 55.30 H new ATOM 0 HB3 HIS A 50 2.724 -7.349 8.137 1.00 55.30 H new ATOM 0 HD1 HIS A 50 4.909 -7.441 6.947 1.00 72.12 H new ATOM 0 HD2 HIS A 50 1.727 -8.600 4.478 1.00 25.44 H new ATOM 0 HE1 HIS A 50 5.912 -7.949 4.674 1.00 2.10 H new ATOM 731 N GLY A 51 -0.649 -8.689 9.151 1.00 42.12 N ATOM 732 CA GLY A 51 -1.397 -8.448 10.380 1.00 10.32 C ATOM 733 C GLY A 51 -1.567 -6.966 10.706 1.00 40.21 C ATOM 734 O GLY A 51 -1.912 -6.609 11.834 1.00 23.24 O ATOM 0 H GLY A 51 -1.230 -8.841 8.326 1.00 42.12 H new ATOM 0 HA2 GLY A 51 -2.381 -8.909 10.294 1.00 10.32 H new ATOM 0 HA3 GLY A 51 -0.887 -8.939 11.209 1.00 10.32 H new ATOM 738 N LEU A 52 -1.341 -6.106 9.717 1.00 63.41 N ATOM 739 CA LEU A 52 -1.411 -4.650 9.916 1.00 13.14 C ATOM 740 C LEU A 52 -2.722 -4.065 9.367 1.00 44.32 C ATOM 741 O LEU A 52 -3.357 -4.653 8.488 1.00 34.13 O ATOM 742 CB LEU A 52 -0.214 -3.975 9.235 1.00 23.43 C ATOM 743 CG LEU A 52 1.167 -4.458 9.710 1.00 51.11 C ATOM 744 CD1 LEU A 52 2.277 -3.767 8.928 1.00 33.10 C ATOM 745 CD2 LEU A 52 1.336 -4.219 11.209 1.00 53.32 C ATOM 0 H LEU A 52 -1.107 -6.387 8.765 1.00 63.41 H new ATOM 0 HA LEU A 52 -1.382 -4.457 10.988 1.00 13.14 H new ATOM 0 HB2 LEU A 52 -0.288 -4.138 8.160 1.00 23.43 H new ATOM 0 HB3 LEU A 52 -0.282 -2.900 9.400 1.00 23.43 H new ATOM 0 HG LEU A 52 1.235 -5.530 9.525 1.00 51.11 H new ATOM 0 HD11 LEU A 52 3.245 -4.123 9.280 1.00 33.10 H new ATOM 0 HD12 LEU A 52 2.170 -3.994 7.867 1.00 33.10 H new ATOM 0 HD13 LEU A 52 2.210 -2.689 9.077 1.00 33.10 H new ATOM 0 HD21 LEU A 52 2.319 -4.568 11.524 1.00 53.32 H new ATOM 0 HD22 LEU A 52 1.244 -3.154 11.420 1.00 53.32 H new ATOM 0 HD23 LEU A 52 0.566 -4.765 11.754 1.00 53.32 H new ATOM 757 N ASN A 53 -3.122 -2.903 9.887 1.00 2.30 N ATOM 758 CA ASN A 53 -4.365 -2.244 9.461 1.00 71.11 C ATOM 759 C ASN A 53 -4.141 -1.360 8.220 1.00 54.34 C ATOM 760 O ASN A 53 -3.421 -0.360 8.274 1.00 32.43 O ATOM 761 CB ASN A 53 -4.940 -1.407 10.610 1.00 72.05 C ATOM 762 CG ASN A 53 -6.190 -0.643 10.212 1.00 44.44 C ATOM 763 OD1 ASN A 53 -6.119 0.503 9.795 1.00 32.33 O ATOM 764 ND2 ASN A 53 -7.341 -1.272 10.319 1.00 5.14 N ATOM 0 H ASN A 53 -2.605 -2.396 10.605 1.00 2.30 H new ATOM 0 HA ASN A 53 -5.079 -3.022 9.191 1.00 71.11 H new ATOM 0 HB2 ASN A 53 -5.172 -2.062 11.450 1.00 72.05 H new ATOM 0 HB3 ASN A 53 -4.183 -0.702 10.955 1.00 72.05 H new ATOM 0 HD21 ASN A 53 -8.206 -0.802 10.050 1.00 5.14 H new ATOM 0 HD22 ASN A 53 -7.368 -2.229 10.671 1.00 5.14 H new ATOM 771 N VAL A 54 -4.777 -1.732 7.110 1.00 21.43 N ATOM 772 CA VAL A 54 -4.643 -0.996 5.845 1.00 51.54 C ATOM 773 C VAL A 54 -5.245 0.416 5.937 1.00 22.14 C ATOM 774 O VAL A 54 -4.797 1.342 5.264 1.00 24.15 O ATOM 775 CB VAL A 54 -5.327 -1.757 4.680 1.00 43.25 C ATOM 776 CG1 VAL A 54 -6.834 -1.876 4.917 1.00 34.22 C ATOM 777 CG2 VAL A 54 -5.035 -1.082 3.339 1.00 61.31 C ATOM 0 H VAL A 54 -5.394 -2.542 7.057 1.00 21.43 H new ATOM 0 HA VAL A 54 -3.574 -0.911 5.649 1.00 51.54 H new ATOM 0 HB VAL A 54 -4.911 -2.764 4.645 1.00 43.25 H new ATOM 0 HG11 VAL A 54 -7.292 -2.413 4.086 1.00 34.22 H new ATOM 0 HG12 VAL A 54 -7.015 -2.419 5.844 1.00 34.22 H new ATOM 0 HG13 VAL A 54 -7.271 -0.880 4.989 1.00 34.22 H new ATOM 0 HG21 VAL A 54 -5.526 -1.635 2.539 1.00 61.31 H new ATOM 0 HG22 VAL A 54 -5.411 -0.059 3.357 1.00 61.31 H new ATOM 0 HG23 VAL A 54 -3.959 -1.070 3.164 1.00 61.31 H new ATOM 787 N GLU A 55 -6.256 0.572 6.783 1.00 35.22 N ATOM 788 CA GLU A 55 -6.994 1.833 6.897 1.00 34.25 C ATOM 789 C GLU A 55 -6.104 2.961 7.454 1.00 35.33 C ATOM 790 O GLU A 55 -6.233 4.126 7.059 1.00 0.24 O ATOM 791 CB GLU A 55 -8.242 1.611 7.766 1.00 64.14 C ATOM 792 CG GLU A 55 -9.085 0.427 7.289 1.00 14.01 C ATOM 793 CD GLU A 55 -10.354 0.208 8.099 1.00 51.11 C ATOM 794 OE1 GLU A 55 -10.256 -0.025 9.323 1.00 20.21 O ATOM 795 OE2 GLU A 55 -11.455 0.228 7.506 1.00 71.42 O ATOM 0 H GLU A 55 -6.589 -0.163 7.407 1.00 35.22 H new ATOM 0 HA GLU A 55 -7.309 2.152 5.904 1.00 34.25 H new ATOM 0 HB2 GLU A 55 -7.936 1.443 8.799 1.00 64.14 H new ATOM 0 HB3 GLU A 55 -8.852 2.514 7.757 1.00 64.14 H new ATOM 0 HG2 GLU A 55 -9.355 0.583 6.244 1.00 14.01 H new ATOM 0 HG3 GLU A 55 -8.479 -0.478 7.330 1.00 14.01 H new ATOM 802 N ASP A 56 -5.188 2.610 8.357 1.00 31.20 N ATOM 803 CA ASP A 56 -4.199 3.567 8.858 1.00 22.42 C ATOM 804 C ASP A 56 -3.162 3.886 7.768 1.00 1.52 C ATOM 805 O ASP A 56 -2.672 5.011 7.667 1.00 73.32 O ATOM 806 CB ASP A 56 -3.503 3.019 10.110 1.00 34.43 C ATOM 807 CG ASP A 56 -2.543 4.027 10.721 1.00 34.14 C ATOM 808 OD1 ASP A 56 -3.015 5.017 11.319 1.00 64.51 O ATOM 809 OD2 ASP A 56 -1.315 3.851 10.594 1.00 50.21 O ATOM 0 H ASP A 56 -5.110 1.674 8.756 1.00 31.20 H new ATOM 0 HA ASP A 56 -4.718 4.487 9.127 1.00 22.42 H new ATOM 0 HB2 ASP A 56 -4.254 2.741 10.849 1.00 34.43 H new ATOM 0 HB3 ASP A 56 -2.958 2.111 9.853 1.00 34.43 H new ATOM 814 N ILE A 57 -2.846 2.887 6.944 1.00 24.53 N ATOM 815 CA ILE A 57 -1.950 3.079 5.798 1.00 64.32 C ATOM 816 C ILE A 57 -2.579 4.038 4.774 1.00 41.54 C ATOM 817 O ILE A 57 -1.909 4.918 4.233 1.00 71.53 O ATOM 818 CB ILE A 57 -1.624 1.732 5.105 1.00 31.51 C ATOM 819 CG1 ILE A 57 -1.095 0.717 6.134 1.00 50.44 C ATOM 820 CG2 ILE A 57 -0.610 1.934 3.977 1.00 23.11 C ATOM 821 CD1 ILE A 57 -0.832 -0.660 5.563 1.00 74.23 C ATOM 0 H ILE A 57 -3.196 1.935 7.047 1.00 24.53 H new ATOM 0 HA ILE A 57 -1.024 3.510 6.178 1.00 64.32 H new ATOM 0 HB ILE A 57 -2.542 1.338 4.668 1.00 31.51 H new ATOM 0 HG12 ILE A 57 -0.172 1.102 6.567 1.00 50.44 H new ATOM 0 HG13 ILE A 57 -1.816 0.630 6.947 1.00 50.44 H new ATOM 0 HG21 ILE A 57 -0.396 0.975 3.504 1.00 23.11 H new ATOM 0 HG22 ILE A 57 -1.021 2.620 3.236 1.00 23.11 H new ATOM 0 HG23 ILE A 57 0.311 2.351 4.386 1.00 23.11 H new ATOM 0 HD11 ILE A 57 -0.462 -1.316 6.351 1.00 74.23 H new ATOM 0 HD12 ILE A 57 -1.757 -1.068 5.156 1.00 74.23 H new ATOM 0 HD13 ILE A 57 -0.087 -0.589 4.770 1.00 74.23 H new ATOM 833 N LEU A 58 -3.881 3.862 4.522 1.00 60.10 N ATOM 834 CA LEU A 58 -4.631 4.746 3.618 1.00 23.23 C ATOM 835 C LEU A 58 -4.530 6.211 4.066 1.00 3.03 C ATOM 836 O LEU A 58 -4.490 7.122 3.236 1.00 33.31 O ATOM 837 CB LEU A 58 -6.107 4.318 3.544 1.00 13.42 C ATOM 838 CG LEU A 58 -6.363 2.909 2.980 1.00 63.02 C ATOM 839 CD1 LEU A 58 -7.860 2.601 2.959 1.00 21.03 C ATOM 840 CD2 LEU A 58 -5.757 2.770 1.583 1.00 30.20 C ATOM 0 H LEU A 58 -4.440 3.114 4.932 1.00 60.10 H new ATOM 0 HA LEU A 58 -4.188 4.660 2.626 1.00 23.23 H new ATOM 0 HB2 LEU A 58 -6.533 4.372 4.546 1.00 13.42 H new ATOM 0 HB3 LEU A 58 -6.646 5.039 2.929 1.00 13.42 H new ATOM 0 HG LEU A 58 -5.878 2.184 3.633 1.00 63.02 H new ATOM 0 HD11 LEU A 58 -8.020 1.601 2.557 1.00 21.03 H new ATOM 0 HD12 LEU A 58 -8.256 2.652 3.973 1.00 21.03 H new ATOM 0 HD13 LEU A 58 -8.373 3.330 2.332 1.00 21.03 H new ATOM 0 HD21 LEU A 58 -5.949 1.767 1.201 1.00 30.20 H new ATOM 0 HD22 LEU A 58 -6.208 3.504 0.916 1.00 30.20 H new ATOM 0 HD23 LEU A 58 -4.681 2.939 1.634 1.00 30.20 H new ATOM 852 N ARG A 59 -4.495 6.424 5.382 1.00 2.45 N ATOM 853 CA ARG A 59 -4.254 7.756 5.952 1.00 20.03 C ATOM 854 C ARG A 59 -2.989 8.396 5.351 1.00 0.00 C ATOM 855 O ARG A 59 -3.040 9.500 4.807 1.00 75.24 O ATOM 856 CB ARG A 59 -4.122 7.656 7.483 1.00 51.50 C ATOM 857 CG ARG A 59 -3.615 8.928 8.158 1.00 71.21 C ATOM 858 CD ARG A 59 -3.429 8.738 9.664 1.00 40.02 C ATOM 859 NE ARG A 59 -2.586 7.579 9.981 1.00 5.23 N ATOM 860 CZ ARG A 59 -1.284 7.623 10.117 1.00 43.45 C ATOM 861 NH1 ARG A 59 -0.639 8.737 9.981 1.00 32.45 N ATOM 862 NH2 ARG A 59 -0.632 6.544 10.398 1.00 23.32 N ATOM 0 H ARG A 59 -4.631 5.690 6.078 1.00 2.45 H new ATOM 0 HA ARG A 59 -5.104 8.392 5.705 1.00 20.03 H new ATOM 0 HB2 ARG A 59 -5.095 7.400 7.903 1.00 51.50 H new ATOM 0 HB3 ARG A 59 -3.445 6.837 7.724 1.00 51.50 H new ATOM 0 HG2 ARG A 59 -2.667 9.224 7.709 1.00 71.21 H new ATOM 0 HG3 ARG A 59 -4.320 9.740 7.979 1.00 71.21 H new ATOM 0 HD2 ARG A 59 -2.981 9.637 10.088 1.00 40.02 H new ATOM 0 HD3 ARG A 59 -4.404 8.615 10.135 1.00 40.02 H new ATOM 0 HE ARG A 59 -3.046 6.677 10.104 1.00 5.23 H new ATOM 0 HH11 ARG A 59 -1.145 9.596 9.765 1.00 32.45 H new ATOM 0 HH12 ARG A 59 0.375 8.756 10.090 1.00 32.45 H new ATOM 0 HH21 ARG A 59 -1.131 5.662 10.513 1.00 23.32 H new ATOM 0 HH22 ARG A 59 0.382 6.574 10.505 1.00 23.32 H new ATOM 876 N ASP A 60 -1.865 7.684 5.439 1.00 12.21 N ATOM 877 CA ASP A 60 -0.588 8.185 4.917 1.00 10.25 C ATOM 878 C ASP A 60 -0.633 8.308 3.379 1.00 10.51 C ATOM 879 O ASP A 60 -0.240 9.331 2.813 1.00 0.12 O ATOM 880 CB ASP A 60 0.554 7.244 5.347 1.00 53.10 C ATOM 881 CG ASP A 60 1.920 7.922 5.364 1.00 42.31 C ATOM 882 OD1 ASP A 60 2.148 8.858 4.567 1.00 12.13 O ATOM 883 OD2 ASP A 60 2.774 7.526 6.187 1.00 23.01 O ATOM 0 H ASP A 60 -1.810 6.759 5.866 1.00 12.21 H new ATOM 0 HA ASP A 60 -0.408 9.178 5.329 1.00 10.25 H new ATOM 0 HB2 ASP A 60 0.338 6.852 6.341 1.00 53.10 H new ATOM 0 HB3 ASP A 60 0.588 6.391 4.669 1.00 53.10 H new ATOM 888 N LEU A 61 -1.142 7.263 2.716 1.00 31.24 N ATOM 889 CA LEU A 61 -1.217 7.219 1.245 1.00 23.24 C ATOM 890 C LEU A 61 -1.939 8.441 0.650 1.00 12.50 C ATOM 891 O LEU A 61 -1.440 9.076 -0.279 1.00 62.33 O ATOM 892 CB LEU A 61 -1.917 5.932 0.786 1.00 3.23 C ATOM 893 CG LEU A 61 -1.198 4.624 1.149 1.00 43.20 C ATOM 894 CD1 LEU A 61 -1.984 3.416 0.645 1.00 21.22 C ATOM 895 CD2 LEU A 61 0.220 4.618 0.585 1.00 1.33 C ATOM 0 H LEU A 61 -1.511 6.430 3.175 1.00 31.24 H new ATOM 0 HA LEU A 61 -0.191 7.236 0.878 1.00 23.24 H new ATOM 0 HB2 LEU A 61 -2.917 5.909 1.219 1.00 3.23 H new ATOM 0 HB3 LEU A 61 -2.039 5.971 -0.296 1.00 3.23 H new ATOM 0 HG LEU A 61 -1.136 4.559 2.235 1.00 43.20 H new ATOM 0 HD11 LEU A 61 -1.456 2.501 0.913 1.00 21.22 H new ATOM 0 HD12 LEU A 61 -2.974 3.411 1.100 1.00 21.22 H new ATOM 0 HD13 LEU A 61 -2.083 3.473 -0.439 1.00 21.22 H new ATOM 0 HD21 LEU A 61 0.714 3.684 0.852 1.00 1.33 H new ATOM 0 HD22 LEU A 61 0.180 4.710 -0.500 1.00 1.33 H new ATOM 0 HD23 LEU A 61 0.780 5.456 1.000 1.00 1.33 H new ATOM 907 N ASN A 62 -3.120 8.764 1.177 1.00 41.33 N ATOM 908 CA ASN A 62 -3.872 9.934 0.704 1.00 10.32 C ATOM 909 C ASN A 62 -3.229 11.242 1.199 1.00 50.50 C ATOM 910 O ASN A 62 -3.303 12.276 0.529 1.00 74.42 O ATOM 911 CB ASN A 62 -5.342 9.848 1.141 1.00 14.34 C ATOM 912 CG ASN A 62 -6.095 8.749 0.405 1.00 71.44 C ATOM 913 OD1 ASN A 62 -6.672 8.974 -0.654 1.00 0.43 O ATOM 914 ND2 ASN A 62 -6.096 7.552 0.953 1.00 24.41 N ATOM 0 H ASN A 62 -3.576 8.240 1.924 1.00 41.33 H new ATOM 0 HA ASN A 62 -3.840 9.937 -0.386 1.00 10.32 H new ATOM 0 HB2 ASN A 62 -5.390 9.664 2.214 1.00 14.34 H new ATOM 0 HB3 ASN A 62 -5.830 10.805 0.960 1.00 14.34 H new ATOM 0 HD21 ASN A 62 -6.585 6.782 0.496 1.00 24.41 H new ATOM 0 HD22 ASN A 62 -5.608 7.394 1.834 1.00 24.41 H new ATOM 921 N ALA A 63 -2.579 11.188 2.363 1.00 41.21 N ATOM 922 CA ALA A 63 -1.858 12.348 2.904 1.00 52.13 C ATOM 923 C ALA A 63 -0.704 12.773 1.979 1.00 13.52 C ATOM 924 O ALA A 63 -0.326 13.946 1.943 1.00 51.24 O ATOM 925 CB ALA A 63 -1.331 12.045 4.303 1.00 62.23 C ATOM 0 H ALA A 63 -2.535 10.355 2.951 1.00 41.21 H new ATOM 0 HA ALA A 63 -2.562 13.178 2.965 1.00 52.13 H new ATOM 0 HB1 ALA A 63 -0.800 12.915 4.688 1.00 62.23 H new ATOM 0 HB2 ALA A 63 -2.166 11.808 4.963 1.00 62.23 H new ATOM 0 HB3 ALA A 63 -0.651 11.195 4.259 1.00 62.23 H new ATOM 931 N LEU A 64 -0.152 11.813 1.235 1.00 43.32 N ATOM 932 CA LEU A 64 0.910 12.086 0.254 1.00 41.13 C ATOM 933 C LEU A 64 0.484 13.153 -0.765 1.00 53.41 C ATOM 934 O LEU A 64 1.292 13.984 -1.184 1.00 3.45 O ATOM 935 CB LEU A 64 1.279 10.797 -0.493 1.00 52.03 C ATOM 936 CG LEU A 64 1.824 9.657 0.382 1.00 52.11 C ATOM 937 CD1 LEU A 64 2.040 8.396 -0.451 1.00 62.23 C ATOM 938 CD2 LEU A 64 3.119 10.077 1.074 1.00 63.24 C ATOM 0 H LEU A 64 -0.423 10.831 1.291 1.00 43.32 H new ATOM 0 HA LEU A 64 1.773 12.462 0.804 1.00 41.13 H new ATOM 0 HB2 LEU A 64 0.395 10.437 -1.019 1.00 52.03 H new ATOM 0 HB3 LEU A 64 2.024 11.038 -1.251 1.00 52.03 H new ATOM 0 HG LEU A 64 1.085 9.435 1.152 1.00 52.11 H new ATOM 0 HD11 LEU A 64 2.426 7.601 0.186 1.00 62.23 H new ATOM 0 HD12 LEU A 64 1.092 8.082 -0.889 1.00 62.23 H new ATOM 0 HD13 LEU A 64 2.756 8.603 -1.246 1.00 62.23 H new ATOM 0 HD21 LEU A 64 3.487 9.255 1.688 1.00 63.24 H new ATOM 0 HD22 LEU A 64 3.867 10.332 0.323 1.00 63.24 H new ATOM 0 HD23 LEU A 64 2.929 10.945 1.706 1.00 63.24 H new ATOM 950 N ALA A 65 -0.784 13.114 -1.167 1.00 31.31 N ATOM 951 CA ALA A 65 -1.318 14.061 -2.152 1.00 72.33 C ATOM 952 C ALA A 65 -1.930 15.299 -1.476 1.00 20.42 C ATOM 953 O ALA A 65 -1.753 16.423 -1.942 1.00 13.55 O ATOM 954 CB ALA A 65 -2.357 13.367 -3.027 1.00 10.13 C ATOM 0 H ALA A 65 -1.466 12.436 -0.827 1.00 31.31 H new ATOM 0 HA ALA A 65 -0.491 14.403 -2.774 1.00 72.33 H new ATOM 0 HB1 ALA A 65 -2.750 14.075 -3.756 1.00 10.13 H new ATOM 0 HB2 ALA A 65 -1.893 12.529 -3.548 1.00 10.13 H new ATOM 0 HB3 ALA A 65 -3.172 13.000 -2.403 1.00 10.13 H new