USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 46 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 48 MET CE :methyl -173:sc= -2.88! (180deg=-2.95) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -150:sc= -2.31! (180deg=-7!) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 34 ASN : amide:sc= -6.01! C(o=-5.9!,f=-15!) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.121 K(o=-5.9,f=-8.1!) USER MOD Set 4.1: A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 12 THR OG1 : rot -39:sc= 0.338 USER MOD Set 5.2: A 15 HIS : no HD1:sc= -23.9! C(o=-24!,f=-32!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -14.4! C(o=-21!,f=-14!) USER MOD Single : A 20 THR OG1 : rot 97:sc= -0.533! USER MOD Single : A 27 SER OG : rot 62:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ -93:sc= 0.899 (180deg=-1.33!) USER MOD Single : A 30 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.22) USER MOD Single : A 31 SER OG : rot 110:sc= -5.03! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -11:sc= 0.61 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -164:sc= -2.5! (180deg=-3.76!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 59 SER OG : rot -170:sc= -0.259 USER MOD Single : A 62 THR OG1 : rot 60:sc= -9.15! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.049 USER MOD Single : A 74 MET CE :methyl -113:sc= -5.6! (180deg=-7.82!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -4.87! C(o=-4.9!,f=-6.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -2.054 -9.638 -8.589 1.00 1.00 N ATOM 19 CA GLU A 2 -2.957 -8.558 -8.950 1.00 1.00 C ATOM 20 C GLU A 2 -2.482 -7.240 -8.334 1.00 1.00 C ATOM 21 O GLU A 2 -2.214 -7.172 -7.136 1.00 1.00 O ATOM 22 CB GLU A 2 -4.391 -8.877 -8.524 1.00 1.00 C ATOM 23 CG GLU A 2 -4.663 -10.381 -8.595 1.00 1.00 C ATOM 24 CD GLU A 2 -6.157 -10.676 -8.452 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.711 -10.299 -7.397 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.712 -11.272 -9.401 1.00 1.00 O ATOM 0 HA GLU A 2 -2.950 -8.452 -10.035 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.560 -8.521 -7.508 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -5.092 -8.346 -9.168 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -4.300 -10.775 -9.544 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.111 -10.892 -7.806 1.00 1.00 H new ATOM 33 N LYS A 3 -2.392 -6.226 -9.182 1.00 1.00 N ATOM 34 CA LYS A 3 -1.954 -4.915 -8.737 1.00 1.00 C ATOM 35 C LYS A 3 -3.128 -3.937 -8.813 1.00 1.00 C ATOM 36 O LYS A 3 -4.016 -4.091 -9.651 1.00 1.00 O ATOM 37 CB LYS A 3 -0.725 -4.463 -9.528 1.00 1.00 C ATOM 38 CG LYS A 3 -1.028 -3.201 -10.339 1.00 1.00 C ATOM 39 CD LYS A 3 0.075 -2.930 -11.363 1.00 1.00 C ATOM 40 CE LYS A 3 0.031 -3.953 -12.501 1.00 1.00 C ATOM 41 NZ LYS A 3 0.246 -3.287 -13.805 1.00 1.00 N ATOM 0 H LYS A 3 -2.615 -6.286 -10.175 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.637 -4.953 -7.695 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.101 -4.270 -8.844 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.405 -5.262 -10.197 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.984 -3.314 -10.850 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -1.124 -2.347 -9.668 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -0.039 -1.925 -11.768 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.048 -2.967 -10.873 1.00 1.00 H new ATOM 0 HE2 LYS A 3 0.796 -4.714 -12.344 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.932 -4.464 -12.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.213 -3.995 -14.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -0.499 -2.578 -13.960 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.175 -2.820 -13.807 1.00 1.00 H new ATOM 55 N LYS A 4 -3.095 -2.951 -7.928 1.00 1.00 N ATOM 56 CA LYS A 4 -4.146 -1.949 -7.885 1.00 1.00 C ATOM 57 C LYS A 4 -3.526 -0.580 -7.595 1.00 1.00 C ATOM 58 O LYS A 4 -2.990 -0.354 -6.511 1.00 1.00 O ATOM 59 CB LYS A 4 -5.234 -2.354 -6.888 1.00 1.00 C ATOM 60 CG LYS A 4 -6.550 -1.636 -7.191 1.00 1.00 C ATOM 61 CD LYS A 4 -7.195 -2.187 -8.465 1.00 1.00 C ATOM 62 CE LYS A 4 -8.429 -1.370 -8.852 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.921 -1.775 -10.188 1.00 1.00 N ATOM 0 H LYS A 4 -2.357 -2.825 -7.235 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.644 -1.878 -8.852 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.386 -3.433 -6.929 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.911 -2.116 -5.875 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -7.235 -1.755 -6.352 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.368 -0.567 -7.304 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.472 -2.169 -9.280 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.477 -3.229 -8.313 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -9.215 -1.513 -8.110 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -8.183 -0.308 -8.855 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.759 -1.211 -10.435 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.175 -1.616 -10.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.175 -2.783 -10.173 1.00 1.00 H new ATOM 77 N GLU A 5 -3.621 0.298 -8.583 1.00 1.00 N ATOM 78 CA GLU A 5 -3.076 1.638 -8.448 1.00 1.00 C ATOM 79 C GLU A 5 -4.083 2.552 -7.745 1.00 1.00 C ATOM 80 O GLU A 5 -5.288 2.309 -7.797 1.00 1.00 O ATOM 81 CB GLU A 5 -2.677 2.208 -9.811 1.00 1.00 C ATOM 82 CG GLU A 5 -1.796 1.222 -10.580 1.00 1.00 C ATOM 83 CD GLU A 5 -2.555 0.613 -11.760 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.214 -0.425 -11.536 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.460 1.200 -12.860 1.00 1.00 O ATOM 0 H GLU A 5 -4.067 0.107 -9.480 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.175 1.583 -7.836 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.572 2.431 -10.392 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -2.143 3.148 -9.674 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.903 1.732 -10.942 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.461 0.430 -9.911 1.00 1.00 H new ATOM 92 N PHE A 6 -3.551 3.582 -7.104 1.00 1.00 N ATOM 93 CA PHE A 6 -4.388 4.533 -6.392 1.00 1.00 C ATOM 94 C PHE A 6 -3.647 5.852 -6.165 1.00 1.00 C ATOM 95 O PHE A 6 -2.510 6.014 -6.604 1.00 1.00 O ATOM 96 CB PHE A 6 -4.720 3.908 -5.035 1.00 1.00 C ATOM 97 CG PHE A 6 -5.473 2.579 -5.130 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.738 2.549 -5.629 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.878 1.429 -4.715 1.00 1.00 C ATOM 100 CE1 PHE A 6 -7.437 1.316 -5.717 1.00 1.00 C ATOM 101 CE2 PHE A 6 -5.576 0.196 -4.803 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.841 0.166 -5.302 1.00 1.00 C ATOM 0 H PHE A 6 -2.551 3.779 -7.063 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.286 4.747 -6.972 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.794 3.750 -4.483 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.319 4.613 -4.458 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -7.211 3.463 -5.958 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -3.874 1.454 -4.318 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -8.441 1.291 -6.113 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.103 -0.717 -4.474 1.00 1.00 H new ATOM 0 HZ PHE A 6 -7.373 -0.772 -5.369 1.00 1.00 H new ATOM 112 N HIS A 7 -4.323 6.762 -5.478 1.00 1.00 N ATOM 113 CA HIS A 7 -3.743 8.063 -5.187 1.00 1.00 C ATOM 114 C HIS A 7 -4.177 8.517 -3.792 1.00 1.00 C ATOM 115 O HIS A 7 -5.335 8.350 -3.413 1.00 1.00 O ATOM 116 CB HIS A 7 -4.101 9.074 -6.279 1.00 1.00 C ATOM 117 CG HIS A 7 -4.407 10.457 -5.757 1.00 1.00 C ATOM 118 ND1 HIS A 7 -5.269 10.873 -4.785 1.00 1.00 N flip ATOM 119 CD2 HIS A 7 -3.792 11.596 -6.248 1.00 1.00 C flip ATOM 120 CE1 HIS A 7 -5.184 12.194 -4.686 1.00 1.00 C flip ATOM 121 NE2 HIS A 7 -4.269 12.644 -5.593 1.00 1.00 N flip ATOM 0 H HIS A 7 -5.266 6.624 -5.115 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.656 7.989 -5.185 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.274 9.138 -6.986 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -4.965 8.706 -6.832 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -3.050 11.625 -7.032 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -5.746 12.811 -4.001 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -4.000 13.617 -5.741 1.00 1.00 H new ATOM 129 N ILE A 8 -3.224 9.084 -3.067 1.00 1.00 N ATOM 130 CA ILE A 8 -3.493 9.564 -1.722 1.00 1.00 C ATOM 131 C ILE A 8 -4.501 10.713 -1.787 1.00 1.00 C ATOM 132 O ILE A 8 -4.254 11.722 -2.446 1.00 1.00 O ATOM 133 CB ILE A 8 -2.188 9.930 -1.013 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.224 8.742 -0.990 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.460 10.473 0.391 1.00 1.00 C ATOM 136 CD1 ILE A 8 -1.987 7.418 -0.921 1.00 1.00 C ATOM 0 H ILE A 8 -2.265 9.222 -3.385 1.00 1.00 H new ATOM 0 HA ILE A 8 -3.946 8.776 -1.120 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.705 10.726 -1.579 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.599 8.759 -1.883 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.557 8.827 -0.132 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.515 10.725 0.873 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.082 11.366 0.322 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -2.977 9.716 0.980 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.278 6.590 -0.906 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.593 7.394 -0.015 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.635 7.325 -1.793 1.00 1.00 H new ATOM 148 N VAL A 9 -5.614 10.522 -1.095 1.00 1.00 N ATOM 149 CA VAL A 9 -6.660 11.530 -1.067 1.00 1.00 C ATOM 150 C VAL A 9 -6.827 12.045 0.364 1.00 1.00 C ATOM 151 O VAL A 9 -7.712 12.855 0.637 1.00 1.00 O ATOM 152 CB VAL A 9 -7.954 10.959 -1.651 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.828 10.752 -3.162 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.344 9.656 -0.950 1.00 1.00 C ATOM 0 H VAL A 9 -5.815 9.684 -0.549 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.386 12.381 -1.690 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.749 11.684 -1.477 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.761 10.345 -3.553 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.618 11.707 -3.644 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.015 10.056 -3.367 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.267 9.271 -1.384 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.549 8.922 -1.079 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.494 9.846 0.113 1.00 1.00 H new ATOM 164 N ALA A 10 -5.963 11.554 1.240 1.00 1.00 N ATOM 165 CA ALA A 10 -6.004 11.954 2.637 1.00 1.00 C ATOM 166 C ALA A 10 -5.289 13.297 2.799 1.00 1.00 C ATOM 167 O ALA A 10 -5.491 13.995 3.791 1.00 1.00 O ATOM 168 CB ALA A 10 -5.384 10.855 3.501 1.00 1.00 C ATOM 0 H ALA A 10 -5.230 10.883 1.010 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.034 12.087 2.969 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.415 11.155 4.548 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -5.946 9.930 3.372 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.349 10.696 3.199 1.00 1.00 H new ATOM 174 N GLU A 11 -4.468 13.617 1.809 1.00 1.00 N ATOM 175 CA GLU A 11 -3.722 14.863 1.830 1.00 1.00 C ATOM 176 C GLU A 11 -3.097 15.085 3.209 1.00 1.00 C ATOM 177 O GLU A 11 -2.727 16.206 3.553 1.00 1.00 O ATOM 178 CB GLU A 11 -4.614 16.043 1.436 1.00 1.00 C ATOM 179 CG GLU A 11 -5.693 16.290 2.492 1.00 1.00 C ATOM 180 CD GLU A 11 -6.438 17.598 2.218 1.00 1.00 C ATOM 181 OE1 GLU A 11 -5.742 18.614 2.005 1.00 1.00 O ATOM 182 OE2 GLU A 11 -7.687 17.553 2.227 1.00 1.00 O ATOM 0 H GLU A 11 -4.303 13.035 0.988 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.919 14.795 1.096 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -4.006 16.939 1.316 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.082 15.844 0.472 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.399 15.459 2.497 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.237 16.327 3.481 1.00 1.00 H new ATOM 189 N THR A 12 -2.998 13.998 3.960 1.00 1.00 N ATOM 190 CA THR A 12 -2.424 14.060 5.294 1.00 1.00 C ATOM 191 C THR A 12 -0.896 14.056 5.217 1.00 1.00 C ATOM 192 O THR A 12 -0.249 15.026 5.611 1.00 1.00 O ATOM 193 CB THR A 12 -2.994 12.897 6.108 1.00 1.00 C ATOM 194 OG1 THR A 12 -3.335 13.485 7.361 1.00 1.00 O ATOM 195 CG2 THR A 12 -1.933 11.854 6.463 1.00 1.00 C ATOM 0 H THR A 12 -3.305 13.070 3.670 1.00 1.00 H new ATOM 0 HA THR A 12 -2.691 14.989 5.797 1.00 1.00 H new ATOM 0 HB THR A 12 -3.797 12.420 5.546 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.648 14.136 7.615 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.391 11.051 7.040 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.505 11.444 5.548 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.146 12.322 7.054 1.00 1.00 H new ATOM 203 N GLY A 13 -0.363 12.955 4.708 1.00 1.00 N ATOM 204 CA GLY A 13 1.076 12.812 4.575 1.00 1.00 C ATOM 205 C GLY A 13 1.514 11.376 4.868 1.00 1.00 C ATOM 206 O GLY A 13 2.676 11.131 5.190 1.00 1.00 O ATOM 0 H GLY A 13 -0.903 12.153 4.383 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.381 13.090 3.566 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.578 13.496 5.260 1.00 1.00 H new ATOM 210 N ILE A 14 0.561 10.464 4.747 1.00 1.00 N ATOM 211 CA ILE A 14 0.834 9.059 4.995 1.00 1.00 C ATOM 212 C ILE A 14 1.839 8.933 6.142 1.00 1.00 C ATOM 213 O ILE A 14 2.994 8.573 5.923 1.00 1.00 O ATOM 214 CB ILE A 14 1.281 8.364 3.707 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.095 8.134 2.768 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.029 7.065 4.016 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.956 9.233 2.933 1.00 1.00 C ATOM 0 H ILE A 14 -0.402 10.671 4.480 1.00 1.00 H new ATOM 0 HA ILE A 14 -0.074 8.545 5.309 1.00 1.00 H new ATOM 0 HB ILE A 14 1.979 9.021 3.188 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.443 8.111 1.735 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.354 7.163 2.975 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.336 6.591 3.084 1.00 1.00 H new ATOM 0 HG22 ILE A 14 2.911 7.287 4.617 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.374 6.390 4.568 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.788 9.046 2.254 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.320 9.237 3.961 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.510 10.200 2.702 1.00 1.00 H new ATOM 229 N HIS A 15 1.362 9.237 7.340 1.00 1.00 N ATOM 230 CA HIS A 15 2.204 9.163 8.522 1.00 1.00 C ATOM 231 C HIS A 15 1.958 7.838 9.245 1.00 1.00 C ATOM 232 O HIS A 15 1.131 7.036 8.814 1.00 1.00 O ATOM 233 CB HIS A 15 1.983 10.380 9.423 1.00 1.00 C ATOM 234 CG HIS A 15 0.564 10.895 9.424 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.414 10.398 10.267 1.00 1.00 N ATOM 236 CD2 HIS A 15 -0.032 11.868 8.676 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.543 11.048 10.029 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.304 11.959 9.042 1.00 1.00 N ATOM 0 H HIS A 15 0.403 9.535 7.518 1.00 1.00 H new ATOM 0 HA HIS A 15 3.253 9.187 8.228 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.265 10.119 10.443 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.649 11.181 9.103 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.450 12.463 7.915 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.487 10.886 10.528 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.990 12.604 8.650 1.00 1.00 H new ATOM 246 N ALA A 16 2.691 7.649 10.332 1.00 1.00 N ATOM 247 CA ALA A 16 2.563 6.434 11.119 1.00 1.00 C ATOM 248 C ALA A 16 1.087 6.044 11.212 1.00 1.00 C ATOM 249 O ALA A 16 0.754 4.861 11.242 1.00 1.00 O ATOM 250 CB ALA A 16 3.197 6.648 12.495 1.00 1.00 C ATOM 0 H ALA A 16 3.376 8.317 10.687 1.00 1.00 H new ATOM 0 HA ALA A 16 3.092 5.610 10.640 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.101 5.737 13.085 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.252 6.893 12.375 1.00 1.00 H new ATOM 0 HB3 ALA A 16 2.690 7.466 13.006 1.00 1.00 H new ATOM 256 N ARG A 17 0.241 7.063 11.254 1.00 1.00 N ATOM 257 CA ARG A 17 -1.193 6.842 11.342 1.00 1.00 C ATOM 258 C ARG A 17 -1.712 6.201 10.054 1.00 1.00 C ATOM 259 O ARG A 17 -2.044 5.017 10.035 1.00 1.00 O ATOM 260 CB ARG A 17 -1.938 8.156 11.587 1.00 1.00 C ATOM 261 CG ARG A 17 -2.257 8.337 13.072 1.00 1.00 C ATOM 262 CD ARG A 17 -0.974 8.433 13.901 1.00 1.00 C ATOM 263 NE ARG A 17 -0.725 9.839 14.288 1.00 1.00 N ATOM 264 CZ ARG A 17 0.007 10.208 15.348 1.00 1.00 C ATOM 265 NH1 ARG A 17 0.566 9.277 16.133 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.179 11.508 15.623 1.00 1.00 N ATOM 0 H ARG A 17 0.521 8.044 11.229 1.00 1.00 H new ATOM 0 HA ARG A 17 -1.374 6.172 12.183 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.333 8.992 11.237 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.862 8.167 11.009 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.853 9.239 13.212 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.859 7.499 13.423 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -1.060 7.812 14.792 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -0.130 8.051 13.326 1.00 1.00 H new ATOM 0 HE ARG A 17 -1.136 10.573 13.712 1.00 1.00 H new ATOM 0 HH11 ARG A 17 0.434 8.287 15.924 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.123 9.558 16.940 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -0.247 12.216 15.026 1.00 1.00 H new ATOM 0 HH22 ARG A 17 0.736 11.789 16.430 1.00 1.00 H new ATOM 280 N PRO A 18 -1.766 7.034 8.979 1.00 1.00 N ATOM 281 CA PRO A 18 -2.239 6.561 7.689 1.00 1.00 C ATOM 282 C PRO A 18 -1.184 5.690 7.004 1.00 1.00 C ATOM 283 O PRO A 18 -1.519 4.814 6.207 1.00 1.00 O ATOM 284 CB PRO A 18 -2.570 7.820 6.905 1.00 1.00 C ATOM 285 CG PRO A 18 -1.837 8.952 7.607 1.00 1.00 C ATOM 286 CD PRO A 18 -1.381 8.442 8.964 1.00 1.00 C ATOM 0 HA PRO A 18 -3.115 5.918 7.772 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.248 7.730 5.868 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.645 8.000 6.891 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.982 9.278 7.015 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.492 9.816 7.724 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.305 8.560 9.090 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.859 8.992 9.775 1.00 1.00 H new ATOM 294 N ALA A 19 0.069 5.960 7.340 1.00 1.00 N ATOM 295 CA ALA A 19 1.175 5.212 6.767 1.00 1.00 C ATOM 296 C ALA A 19 1.030 3.734 7.136 1.00 1.00 C ATOM 297 O ALA A 19 1.131 2.863 6.273 1.00 1.00 O ATOM 298 CB ALA A 19 2.499 5.807 7.252 1.00 1.00 C ATOM 0 H ALA A 19 0.343 6.686 8.002 1.00 1.00 H new ATOM 0 HA ALA A 19 1.165 5.283 5.679 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.329 5.246 6.822 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.565 6.849 6.940 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.547 5.750 8.339 1.00 1.00 H new ATOM 304 N THR A 20 0.797 3.497 8.418 1.00 1.00 N ATOM 305 CA THR A 20 0.637 2.139 8.911 1.00 1.00 C ATOM 306 C THR A 20 -0.716 1.571 8.479 1.00 1.00 C ATOM 307 O THR A 20 -0.814 0.399 8.116 1.00 1.00 O ATOM 308 CB THR A 20 0.830 2.162 10.429 1.00 1.00 C ATOM 309 OG1 THR A 20 1.656 3.300 10.657 1.00 1.00 O ATOM 310 CG2 THR A 20 1.671 0.985 10.929 1.00 1.00 C ATOM 0 H THR A 20 0.715 4.222 9.131 1.00 1.00 H new ATOM 0 HA THR A 20 1.385 1.472 8.483 1.00 1.00 H new ATOM 0 HB THR A 20 -0.143 2.148 10.919 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.097 4.065 10.907 1.00 1.00 H new ATOM 0 HG21 THR A 20 1.778 1.048 12.012 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.178 0.049 10.667 1.00 1.00 H new ATOM 0 HG23 THR A 20 2.657 1.019 10.465 1.00 1.00 H new ATOM 318 N LEU A 21 -1.726 2.426 8.533 1.00 1.00 N ATOM 319 CA LEU A 21 -3.069 2.024 8.153 1.00 1.00 C ATOM 320 C LEU A 21 -2.996 1.126 6.915 1.00 1.00 C ATOM 321 O LEU A 21 -3.473 -0.008 6.938 1.00 1.00 O ATOM 322 CB LEU A 21 -3.965 3.251 7.970 1.00 1.00 C ATOM 323 CG LEU A 21 -5.459 3.032 8.214 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.252 4.312 7.944 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.982 1.850 7.394 1.00 1.00 C ATOM 0 H LEU A 21 -1.641 3.397 8.835 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.530 1.437 8.948 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.618 4.034 8.644 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.834 3.624 6.954 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.600 2.781 9.265 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.311 4.129 8.125 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.902 5.103 8.607 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -6.108 4.617 6.907 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -7.047 1.716 7.586 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.827 2.046 6.333 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.446 0.945 7.678 1.00 1.00 H new ATOM 337 N LEU A 22 -2.396 1.668 5.865 1.00 1.00 N ATOM 338 CA LEU A 22 -2.255 0.930 4.622 1.00 1.00 C ATOM 339 C LEU A 22 -1.289 -0.237 4.833 1.00 1.00 C ATOM 340 O LEU A 22 -1.684 -1.399 4.744 1.00 1.00 O ATOM 341 CB LEU A 22 -1.845 1.869 3.485 1.00 1.00 C ATOM 342 CG LEU A 22 -0.691 2.826 3.789 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.585 2.394 3.064 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.076 4.271 3.462 1.00 1.00 C ATOM 0 H LEU A 22 -2.002 2.609 5.850 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.212 0.502 4.323 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.571 1.263 2.621 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.714 2.460 3.197 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.484 2.783 4.858 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.390 3.091 3.297 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.867 1.393 3.389 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.409 2.390 1.988 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.238 4.931 3.687 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.326 4.350 2.404 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.938 4.562 4.062 1.00 1.00 H new ATOM 356 N VAL A 23 -0.041 0.111 5.109 1.00 1.00 N ATOM 357 CA VAL A 23 0.984 -0.893 5.333 1.00 1.00 C ATOM 358 C VAL A 23 0.438 -1.974 6.268 1.00 1.00 C ATOM 359 O VAL A 23 0.487 -3.160 5.947 1.00 1.00 O ATOM 360 CB VAL A 23 2.258 -0.231 5.865 1.00 1.00 C ATOM 361 CG1 VAL A 23 1.949 0.669 7.062 1.00 1.00 C ATOM 362 CG2 VAL A 23 3.311 -1.281 6.225 1.00 1.00 C ATOM 0 H VAL A 23 0.283 1.075 5.183 1.00 1.00 H new ATOM 0 HA VAL A 23 1.253 -1.379 4.395 1.00 1.00 H new ATOM 0 HB VAL A 23 2.667 0.396 5.072 1.00 1.00 H new ATOM 0 HG11 VAL A 23 2.871 1.127 7.421 1.00 1.00 H new ATOM 0 HG12 VAL A 23 1.250 1.449 6.760 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.505 0.074 7.860 1.00 1.00 H new ATOM 0 HG21 VAL A 23 4.206 -0.785 6.600 1.00 1.00 H new ATOM 0 HG22 VAL A 23 2.915 -1.945 6.993 1.00 1.00 H new ATOM 0 HG23 VAL A 23 3.563 -1.862 5.338 1.00 1.00 H new ATOM 372 N GLN A 24 -0.071 -1.525 7.406 1.00 1.00 N ATOM 373 CA GLN A 24 -0.627 -2.439 8.389 1.00 1.00 C ATOM 374 C GLN A 24 -1.630 -3.386 7.727 1.00 1.00 C ATOM 375 O GLN A 24 -1.701 -4.563 8.076 1.00 1.00 O ATOM 376 CB GLN A 24 -1.276 -1.673 9.544 1.00 1.00 C ATOM 377 CG GLN A 24 -2.635 -1.105 9.130 1.00 1.00 C ATOM 378 CD GLN A 24 -3.655 -1.241 10.263 1.00 1.00 C ATOM 379 OE1 GLN A 24 -4.687 -1.877 10.130 1.00 1.00 O ATOM 380 NE2 GLN A 24 -3.308 -0.610 11.381 1.00 1.00 N ATOM 0 H GLN A 24 -0.110 -0.540 7.669 1.00 1.00 H new ATOM 0 HA GLN A 24 0.186 -3.035 8.803 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.400 -2.336 10.400 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.620 -0.862 9.861 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.527 -0.055 8.858 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.997 -1.628 8.245 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -2.428 -0.095 11.424 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -3.921 -0.641 12.195 1.00 1.00 H new ATOM 389 N THR A 25 -2.380 -2.836 6.783 1.00 1.00 N ATOM 390 CA THR A 25 -3.375 -3.617 6.069 1.00 1.00 C ATOM 391 C THR A 25 -2.727 -4.373 4.907 1.00 1.00 C ATOM 392 O THR A 25 -3.231 -5.410 4.478 1.00 1.00 O ATOM 393 CB THR A 25 -4.494 -2.670 5.629 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.554 -2.938 6.542 1.00 1.00 O ATOM 395 CG2 THR A 25 -5.074 -3.043 4.264 1.00 1.00 C ATOM 0 H THR A 25 -2.318 -1.859 6.496 1.00 1.00 H new ATOM 0 HA THR A 25 -3.811 -4.383 6.711 1.00 1.00 H new ATOM 0 HB THR A 25 -4.113 -1.649 5.594 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.321 -2.365 6.330 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.864 -2.340 4.000 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.287 -3.004 3.511 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.486 -4.051 4.307 1.00 1.00 H new ATOM 403 N ALA A 26 -1.620 -3.823 4.430 1.00 1.00 N ATOM 404 CA ALA A 26 -0.897 -4.432 3.326 1.00 1.00 C ATOM 405 C ALA A 26 0.065 -5.489 3.873 1.00 1.00 C ATOM 406 O ALA A 26 0.274 -6.527 3.247 1.00 1.00 O ATOM 407 CB ALA A 26 -0.177 -3.345 2.526 1.00 1.00 C ATOM 0 H ALA A 26 -1.206 -2.962 4.788 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.586 -4.934 2.646 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.365 -3.802 1.698 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.908 -2.637 2.135 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.525 -2.821 3.174 1.00 1.00 H new ATOM 413 N SER A 27 0.626 -5.187 5.035 1.00 1.00 N ATOM 414 CA SER A 27 1.561 -6.098 5.673 1.00 1.00 C ATOM 415 C SER A 27 0.821 -7.003 6.659 1.00 1.00 C ATOM 416 O SER A 27 1.278 -7.209 7.782 1.00 1.00 O ATOM 417 CB SER A 27 2.674 -5.331 6.390 1.00 1.00 C ATOM 418 OG SER A 27 2.288 -4.932 7.702 1.00 1.00 O ATOM 0 H SER A 27 0.451 -4.325 5.551 1.00 1.00 H new ATOM 0 HA SER A 27 2.020 -6.714 4.899 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.565 -5.956 6.449 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.941 -4.450 5.807 1.00 1.00 H new ATOM 0 HG SER A 27 2.102 -5.727 8.244 1.00 1.00 H new ATOM 424 N LYS A 28 -0.312 -7.519 6.204 1.00 1.00 N ATOM 425 CA LYS A 28 -1.120 -8.398 7.032 1.00 1.00 C ATOM 426 C LYS A 28 -1.829 -9.420 6.142 1.00 1.00 C ATOM 427 O LYS A 28 -2.866 -9.965 6.520 1.00 1.00 O ATOM 428 CB LYS A 28 -2.071 -7.581 7.909 1.00 1.00 C ATOM 429 CG LYS A 28 -2.868 -6.580 7.070 1.00 1.00 C ATOM 430 CD LYS A 28 -3.983 -7.282 6.291 1.00 1.00 C ATOM 431 CE LYS A 28 -5.099 -7.746 7.230 1.00 1.00 C ATOM 432 NZ LYS A 28 -5.042 -9.213 7.417 1.00 1.00 N ATOM 0 H LYS A 28 -0.689 -7.345 5.272 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.489 -8.959 7.722 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.756 -8.250 8.430 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.502 -7.050 8.672 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.298 -5.817 7.719 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.201 -6.069 6.376 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.391 -6.603 5.542 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.574 -8.139 5.755 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -5.002 -7.246 8.194 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -6.069 -7.463 6.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.665 -9.676 6.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -4.065 -9.543 7.279 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -5.356 -9.453 8.379 1.00 1.00 H new ATOM 446 N PHE A 29 -1.242 -9.651 4.977 1.00 1.00 N ATOM 447 CA PHE A 29 -1.805 -10.599 4.030 1.00 1.00 C ATOM 448 C PHE A 29 -0.842 -11.761 3.779 1.00 1.00 C ATOM 449 O PHE A 29 0.357 -11.551 3.604 1.00 1.00 O ATOM 450 CB PHE A 29 -2.026 -9.843 2.718 1.00 1.00 C ATOM 451 CG PHE A 29 -2.995 -8.665 2.834 1.00 1.00 C ATOM 452 CD1 PHE A 29 -4.084 -8.757 3.644 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.768 -7.525 2.128 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.984 -7.664 3.752 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.667 -6.431 2.236 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.756 -6.524 3.046 1.00 1.00 C ATOM 0 H PHE A 29 -0.382 -9.198 4.667 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.734 -11.011 4.424 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.066 -9.476 2.356 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.404 -10.539 1.969 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.264 -9.662 4.205 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.904 -7.452 1.485 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.849 -7.738 4.394 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.486 -5.526 1.675 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.440 -5.692 3.129 1.00 1.00 H new ATOM 466 N ASN A 30 -1.403 -12.961 3.770 1.00 1.00 N ATOM 467 CA ASN A 30 -0.609 -14.156 3.544 1.00 1.00 C ATOM 468 C ASN A 30 0.079 -14.056 2.181 1.00 1.00 C ATOM 469 O ASN A 30 0.972 -14.844 1.873 1.00 1.00 O ATOM 470 CB ASN A 30 -1.487 -15.409 3.539 1.00 1.00 C ATOM 471 CG ASN A 30 -1.489 -16.083 4.912 1.00 1.00 C ATOM 472 OD1 ASN A 30 -0.456 -16.344 5.506 1.00 1.00 O ATOM 473 ND2 ASN A 30 -2.704 -16.350 5.383 1.00 1.00 N ATOM 0 H ASN A 30 -2.398 -13.131 3.916 1.00 1.00 H new ATOM 0 HA ASN A 30 0.122 -14.231 4.349 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -2.506 -15.142 3.260 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -1.123 -16.109 2.787 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -2.811 -16.799 6.292 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -3.529 -16.105 4.835 1.00 1.00 H new ATOM 480 N SER A 31 -0.362 -13.080 1.401 1.00 1.00 N ATOM 481 CA SER A 31 0.200 -12.866 0.079 1.00 1.00 C ATOM 482 C SER A 31 1.053 -11.597 0.072 1.00 1.00 C ATOM 483 O SER A 31 1.238 -10.963 1.109 1.00 1.00 O ATOM 484 CB SER A 31 -0.902 -12.772 -0.979 1.00 1.00 C ATOM 485 OG SER A 31 -1.768 -11.663 -0.750 1.00 1.00 O ATOM 0 H SER A 31 -1.103 -12.428 1.660 1.00 1.00 H new ATOM 0 HA SER A 31 0.831 -13.720 -0.167 1.00 1.00 H new ATOM 0 HB2 SER A 31 -0.450 -12.681 -1.967 1.00 1.00 H new ATOM 0 HB3 SER A 31 -1.485 -13.693 -0.979 1.00 1.00 H new ATOM 0 HG SER A 31 -1.621 -10.985 -1.442 1.00 1.00 H new ATOM 491 N ASP A 32 1.551 -11.263 -1.110 1.00 1.00 N ATOM 492 CA ASP A 32 2.380 -10.080 -1.266 1.00 1.00 C ATOM 493 C ASP A 32 1.487 -8.869 -1.538 1.00 1.00 C ATOM 494 O ASP A 32 0.374 -9.014 -2.042 1.00 1.00 O ATOM 495 CB ASP A 32 3.342 -10.234 -2.447 1.00 1.00 C ATOM 496 CG ASP A 32 4.795 -9.861 -2.149 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.293 -10.312 -1.095 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.377 -9.133 -2.983 1.00 1.00 O ATOM 0 H ASP A 32 1.396 -11.791 -1.969 1.00 1.00 H new ATOM 0 HA ASP A 32 2.953 -9.946 -0.349 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.311 -11.268 -2.789 1.00 1.00 H new ATOM 0 HB3 ASP A 32 2.985 -9.615 -3.270 1.00 1.00 H new ATOM 503 N ILE A 33 2.008 -7.700 -1.193 1.00 1.00 N ATOM 504 CA ILE A 33 1.271 -6.464 -1.393 1.00 1.00 C ATOM 505 C ILE A 33 2.146 -5.281 -0.975 1.00 1.00 C ATOM 506 O ILE A 33 2.493 -5.144 0.198 1.00 1.00 O ATOM 507 CB ILE A 33 -0.075 -6.519 -0.670 1.00 1.00 C ATOM 508 CG1 ILE A 33 -0.959 -5.334 -1.064 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.119 -6.610 0.845 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.722 -4.141 -0.135 1.00 1.00 C ATOM 0 H ILE A 33 2.932 -7.583 -0.776 1.00 1.00 H new ATOM 0 HA ILE A 33 1.034 -6.329 -2.448 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.593 -7.425 -0.983 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.749 -5.045 -2.094 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.008 -5.629 -1.023 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.854 -6.648 1.335 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.682 -7.512 1.086 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.668 -5.735 1.195 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.362 -3.312 -0.437 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.957 -4.426 0.891 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.322 -3.834 -0.196 1.00 1.00 H new ATOM 522 N ASN A 34 2.478 -4.455 -1.956 1.00 1.00 N ATOM 523 CA ASN A 34 3.306 -3.287 -1.704 1.00 1.00 C ATOM 524 C ASN A 34 2.627 -2.049 -2.293 1.00 1.00 C ATOM 525 O ASN A 34 1.553 -2.148 -2.885 1.00 1.00 O ATOM 526 CB ASN A 34 4.678 -3.432 -2.364 1.00 1.00 C ATOM 527 CG ASN A 34 5.274 -4.815 -2.092 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.635 -5.698 -1.545 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.531 -4.953 -2.503 1.00 1.00 N ATOM 0 H ASN A 34 2.189 -4.571 -2.927 1.00 1.00 H new ATOM 0 HA ASN A 34 3.433 -3.190 -0.626 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.587 -3.276 -3.439 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.350 -2.662 -1.986 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.018 -5.839 -2.367 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.009 -4.173 -2.954 1.00 1.00 H new ATOM 536 N LEU A 35 3.281 -0.912 -2.111 1.00 1.00 N ATOM 537 CA LEU A 35 2.753 0.344 -2.617 1.00 1.00 C ATOM 538 C LEU A 35 3.750 0.949 -3.607 1.00 1.00 C ATOM 539 O LEU A 35 4.961 0.866 -3.404 1.00 1.00 O ATOM 540 CB LEU A 35 2.392 1.278 -1.460 1.00 1.00 C ATOM 541 CG LEU A 35 3.378 2.416 -1.184 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.510 3.334 -2.400 1.00 1.00 C ATOM 543 CD2 LEU A 35 2.985 3.188 0.078 1.00 1.00 C ATOM 0 H LEU A 35 4.172 -0.834 -1.620 1.00 1.00 H new ATOM 0 HA LEU A 35 1.824 0.175 -3.162 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.413 1.713 -1.662 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.294 0.680 -0.554 1.00 1.00 H new ATOM 0 HG LEU A 35 4.360 1.980 -1.002 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.216 4.134 -2.177 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.871 2.759 -3.253 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.537 3.765 -2.638 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.702 3.991 0.251 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.989 3.612 -0.050 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.984 2.512 0.933 1.00 1.00 H new ATOM 555 N GLU A 36 3.205 1.544 -4.658 1.00 1.00 N ATOM 556 CA GLU A 36 4.032 2.163 -5.680 1.00 1.00 C ATOM 557 C GLU A 36 3.661 3.638 -5.842 1.00 1.00 C ATOM 558 O GLU A 36 2.562 3.961 -6.289 1.00 1.00 O ATOM 559 CB GLU A 36 3.907 1.418 -7.011 1.00 1.00 C ATOM 560 CG GLU A 36 4.892 1.970 -8.043 1.00 1.00 C ATOM 561 CD GLU A 36 4.461 3.356 -8.526 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.240 3.532 -8.727 1.00 1.00 O ATOM 563 OE2 GLU A 36 5.362 4.208 -8.683 1.00 1.00 O ATOM 0 H GLU A 36 2.201 1.611 -4.824 1.00 1.00 H new ATOM 0 HA GLU A 36 5.073 2.103 -5.363 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.095 0.355 -6.856 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.889 1.510 -7.389 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.889 2.027 -7.605 1.00 1.00 H new ATOM 0 HG3 GLU A 36 4.955 1.289 -8.891 1.00 1.00 H new ATOM 570 N TYR A 37 4.600 4.496 -5.468 1.00 1.00 N ATOM 571 CA TYR A 37 4.386 5.929 -5.565 1.00 1.00 C ATOM 572 C TYR A 37 5.276 6.544 -6.648 1.00 1.00 C ATOM 573 O TYR A 37 6.156 5.875 -7.186 1.00 1.00 O ATOM 574 CB TYR A 37 4.782 6.508 -4.206 1.00 1.00 C ATOM 575 CG TYR A 37 5.214 7.975 -4.256 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.262 8.975 -4.246 1.00 1.00 C ATOM 577 CD2 TYR A 37 6.554 8.299 -4.313 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.669 10.356 -4.293 1.00 1.00 C ATOM 579 CE2 TYR A 37 6.960 9.679 -4.360 1.00 1.00 C ATOM 580 CZ TYR A 37 5.998 10.640 -4.348 1.00 1.00 C ATOM 581 OH TYR A 37 6.381 11.944 -4.393 1.00 1.00 O ATOM 0 H TYR A 37 5.511 4.225 -5.097 1.00 1.00 H new ATOM 0 HA TYR A 37 3.350 6.146 -5.825 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.939 6.411 -3.522 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.597 5.914 -3.793 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.213 8.722 -4.203 1.00 1.00 H new ATOM 0 HD2 TYR A 37 7.299 7.517 -4.322 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.935 11.148 -4.285 1.00 1.00 H new ATOM 0 HE2 TYR A 37 8.006 9.945 -4.404 1.00 1.00 H new ATOM 0 HH TYR A 37 7.359 11.997 -4.429 1.00 1.00 H new ATOM 591 N LYS A 38 5.015 7.811 -6.933 1.00 1.00 N ATOM 592 CA LYS A 38 5.782 8.524 -7.942 1.00 1.00 C ATOM 593 C LYS A 38 7.266 8.483 -7.571 1.00 1.00 C ATOM 594 O LYS A 38 7.910 9.525 -7.462 1.00 1.00 O ATOM 595 CB LYS A 38 5.233 9.940 -8.130 1.00 1.00 C ATOM 596 CG LYS A 38 3.810 9.907 -8.690 1.00 1.00 C ATOM 597 CD LYS A 38 3.429 11.257 -9.300 1.00 1.00 C ATOM 598 CE LYS A 38 4.417 11.662 -10.395 1.00 1.00 C ATOM 599 NZ LYS A 38 3.724 12.411 -11.468 1.00 1.00 N ATOM 0 H LYS A 38 4.284 8.363 -6.484 1.00 1.00 H new ATOM 0 HA LYS A 38 5.682 8.037 -8.912 1.00 1.00 H new ATOM 0 HB2 LYS A 38 5.240 10.466 -7.175 1.00 1.00 H new ATOM 0 HB3 LYS A 38 5.881 10.498 -8.806 1.00 1.00 H new ATOM 0 HG2 LYS A 38 3.731 9.127 -9.447 1.00 1.00 H new ATOM 0 HG3 LYS A 38 3.109 9.652 -7.896 1.00 1.00 H new ATOM 0 HD2 LYS A 38 2.423 11.201 -9.716 1.00 1.00 H new ATOM 0 HD3 LYS A 38 3.411 12.020 -8.522 1.00 1.00 H new ATOM 0 HE2 LYS A 38 5.210 12.276 -9.968 1.00 1.00 H new ATOM 0 HE3 LYS A 38 4.891 10.774 -10.812 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 4.409 12.678 -12.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 2.983 11.813 -11.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 3.292 13.269 -11.069 1.00 1.00 H new ATOM 613 N GLY A 39 7.764 7.269 -7.388 1.00 1.00 N ATOM 614 CA GLY A 39 9.160 7.080 -7.032 1.00 1.00 C ATOM 615 C GLY A 39 9.576 5.618 -7.206 1.00 1.00 C ATOM 616 O GLY A 39 10.653 5.333 -7.727 1.00 1.00 O ATOM 0 H GLY A 39 7.226 6.407 -7.479 1.00 1.00 H new ATOM 0 HA2 GLY A 39 9.788 7.717 -7.655 1.00 1.00 H new ATOM 0 HA3 GLY A 39 9.320 7.387 -5.999 1.00 1.00 H new ATOM 620 N LYS A 40 8.700 4.729 -6.760 1.00 1.00 N ATOM 621 CA LYS A 40 8.963 3.304 -6.860 1.00 1.00 C ATOM 622 C LYS A 40 7.881 2.535 -6.099 1.00 1.00 C ATOM 623 O LYS A 40 6.943 3.133 -5.575 1.00 1.00 O ATOM 624 CB LYS A 40 10.386 2.987 -6.394 1.00 1.00 C ATOM 625 CG LYS A 40 10.673 3.628 -5.035 1.00 1.00 C ATOM 626 CD LYS A 40 10.125 2.766 -3.896 1.00 1.00 C ATOM 627 CE LYS A 40 9.671 3.635 -2.721 1.00 1.00 C ATOM 628 NZ LYS A 40 10.482 4.871 -2.646 1.00 1.00 N ATOM 0 H LYS A 40 7.807 4.969 -6.328 1.00 1.00 H new ATOM 0 HA LYS A 40 8.913 2.980 -7.900 1.00 1.00 H new ATOM 0 HB2 LYS A 40 10.518 1.907 -6.326 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.103 3.350 -7.130 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.748 3.760 -4.911 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.223 4.620 -4.994 1.00 1.00 H new ATOM 0 HD2 LYS A 40 9.287 2.170 -4.257 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.892 2.068 -3.562 1.00 1.00 H new ATOM 0 HE2 LYS A 40 8.618 3.891 -2.836 1.00 1.00 H new ATOM 0 HE3 LYS A 40 9.763 3.075 -1.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.550 5.182 -1.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 11.436 4.683 -3.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.031 5.617 -3.213 1.00 1.00 H new ATOM 642 N SER A 41 8.049 1.221 -6.062 1.00 1.00 N ATOM 643 CA SER A 41 7.099 0.365 -5.373 1.00 1.00 C ATOM 644 C SER A 41 7.837 -0.575 -4.418 1.00 1.00 C ATOM 645 O SER A 41 8.731 -1.311 -4.833 1.00 1.00 O ATOM 646 CB SER A 41 6.262 -0.441 -6.368 1.00 1.00 C ATOM 647 OG SER A 41 6.930 -1.626 -6.792 1.00 1.00 O ATOM 0 H SER A 41 8.829 0.729 -6.498 1.00 1.00 H new ATOM 0 HA SER A 41 6.423 0.998 -4.799 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.310 -0.706 -5.909 1.00 1.00 H new ATOM 0 HB3 SER A 41 6.036 0.178 -7.236 1.00 1.00 H new ATOM 0 HG SER A 41 7.862 -1.602 -6.491 1.00 1.00 H new ATOM 653 N VAL A 42 7.437 -0.519 -3.156 1.00 1.00 N ATOM 654 CA VAL A 42 8.050 -1.355 -2.139 1.00 1.00 C ATOM 655 C VAL A 42 6.993 -1.752 -1.106 1.00 1.00 C ATOM 656 O VAL A 42 6.025 -1.024 -0.892 1.00 1.00 O ATOM 657 CB VAL A 42 9.249 -0.634 -1.520 1.00 1.00 C ATOM 658 CG1 VAL A 42 10.164 -0.062 -2.605 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.791 0.462 -0.556 1.00 1.00 C ATOM 0 H VAL A 42 6.696 0.093 -2.815 1.00 1.00 H new ATOM 0 HA VAL A 42 8.434 -2.274 -2.582 1.00 1.00 H new ATOM 0 HB VAL A 42 9.822 -1.365 -0.949 1.00 1.00 H new ATOM 0 HG11 VAL A 42 11.008 0.445 -2.139 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.531 -0.872 -3.236 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.606 0.648 -3.215 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.662 0.959 -0.130 1.00 1.00 H new ATOM 0 HG22 VAL A 42 8.185 1.191 -1.095 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.199 0.018 0.244 1.00 1.00 H new ATOM 669 N ASN A 43 7.214 -2.905 -0.493 1.00 1.00 N ATOM 670 CA ASN A 43 6.293 -3.408 0.512 1.00 1.00 C ATOM 671 C ASN A 43 5.962 -2.286 1.500 1.00 1.00 C ATOM 672 O ASN A 43 6.466 -2.273 2.621 1.00 1.00 O ATOM 673 CB ASN A 43 6.914 -4.563 1.300 1.00 1.00 C ATOM 674 CG ASN A 43 7.655 -5.525 0.370 1.00 1.00 C ATOM 675 OD1 ASN A 43 8.758 -5.267 -0.081 1.00 1.00 O ATOM 676 ND2 ASN A 43 6.988 -6.647 0.110 1.00 1.00 N ATOM 0 H ASN A 43 8.018 -3.506 -0.673 1.00 1.00 H new ATOM 0 HA ASN A 43 5.397 -3.761 0.002 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.604 -4.169 2.046 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.134 -5.101 1.839 1.00 1.00 H new ATOM 0 HD21 ASN A 43 7.398 -7.354 -0.500 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.067 -6.800 0.521 1.00 1.00 H new ATOM 683 N LEU A 44 5.115 -1.374 1.046 1.00 1.00 N ATOM 684 CA LEU A 44 4.709 -0.252 1.876 1.00 1.00 C ATOM 685 C LEU A 44 5.400 -0.354 3.237 1.00 1.00 C ATOM 686 O LEU A 44 5.918 0.637 3.750 1.00 1.00 O ATOM 687 CB LEU A 44 3.184 -0.174 1.964 1.00 1.00 C ATOM 688 CG LEU A 44 2.409 -1.079 1.004 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.518 -2.546 1.425 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.954 -0.625 0.877 1.00 1.00 C ATOM 0 H LEU A 44 4.699 -1.389 0.115 1.00 1.00 H new ATOM 0 HA LEU A 44 5.027 0.689 1.427 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.886 -0.419 2.983 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.882 0.858 1.783 1.00 1.00 H new ATOM 0 HG LEU A 44 2.860 -0.994 0.015 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.958 -3.168 0.726 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.565 -2.849 1.422 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.108 -2.668 2.428 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.426 -1.285 0.189 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.475 -0.662 1.855 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.923 0.396 0.496 1.00 1.00 H new ATOM 702 N LYS A 45 5.386 -1.561 3.783 1.00 1.00 N ATOM 703 CA LYS A 45 6.004 -1.805 5.075 1.00 1.00 C ATOM 704 C LYS A 45 7.523 -1.672 4.942 1.00 1.00 C ATOM 705 O LYS A 45 8.255 -1.891 5.905 1.00 1.00 O ATOM 706 CB LYS A 45 5.552 -3.154 5.639 1.00 1.00 C ATOM 707 CG LYS A 45 5.368 -3.080 7.156 1.00 1.00 C ATOM 708 CD LYS A 45 6.375 -3.980 7.875 1.00 1.00 C ATOM 709 CE LYS A 45 5.791 -4.523 9.181 1.00 1.00 C ATOM 710 NZ LYS A 45 6.873 -4.879 10.125 1.00 1.00 N ATOM 0 H LYS A 45 4.956 -2.381 3.354 1.00 1.00 H new ATOM 0 HA LYS A 45 5.680 -1.058 5.800 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.615 -3.453 5.170 1.00 1.00 H new ATOM 0 HB3 LYS A 45 6.289 -3.919 5.395 1.00 1.00 H new ATOM 0 HG2 LYS A 45 5.491 -2.050 7.491 1.00 1.00 H new ATOM 0 HG3 LYS A 45 4.354 -3.381 7.418 1.00 1.00 H new ATOM 0 HD2 LYS A 45 6.655 -4.809 7.225 1.00 1.00 H new ATOM 0 HD3 LYS A 45 7.285 -3.418 8.085 1.00 1.00 H new ATOM 0 HE2 LYS A 45 5.138 -3.776 9.632 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.177 -5.400 8.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 6.459 -5.246 11.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 7.480 -5.608 9.698 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.442 -4.034 10.336 1.00 1.00 H new ATOM 724 N SER A 46 7.950 -1.313 3.741 1.00 1.00 N ATOM 725 CA SER A 46 9.368 -1.148 3.469 1.00 1.00 C ATOM 726 C SER A 46 9.805 0.277 3.818 1.00 1.00 C ATOM 727 O SER A 46 9.875 1.140 2.944 1.00 1.00 O ATOM 728 CB SER A 46 9.688 -1.458 2.006 1.00 1.00 C ATOM 729 OG SER A 46 11.018 -1.943 1.842 1.00 1.00 O ATOM 0 H SER A 46 7.339 -1.132 2.945 1.00 1.00 H new ATOM 0 HA SER A 46 9.920 -1.853 4.090 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.983 -2.199 1.630 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.554 -0.557 1.407 1.00 1.00 H new ATOM 0 HG SER A 46 11.133 -2.280 0.929 1.00 1.00 H new ATOM 735 N ILE A 47 10.088 0.479 5.096 1.00 1.00 N ATOM 736 CA ILE A 47 10.516 1.783 5.571 1.00 1.00 C ATOM 737 C ILE A 47 11.474 2.403 4.551 1.00 1.00 C ATOM 738 O ILE A 47 11.218 3.490 4.035 1.00 1.00 O ATOM 739 CB ILE A 47 11.104 1.675 6.979 1.00 1.00 C ATOM 740 CG1 ILE A 47 10.453 2.687 7.925 1.00 1.00 C ATOM 741 CG2 ILE A 47 12.627 1.815 6.950 1.00 1.00 C ATOM 742 CD1 ILE A 47 8.931 2.532 7.929 1.00 1.00 C ATOM 0 H ILE A 47 10.029 -0.239 5.818 1.00 1.00 H new ATOM 0 HA ILE A 47 9.662 2.455 5.658 1.00 1.00 H new ATOM 0 HB ILE A 47 10.880 0.681 7.367 1.00 1.00 H new ATOM 0 HG12 ILE A 47 10.839 2.547 8.935 1.00 1.00 H new ATOM 0 HG13 ILE A 47 10.718 3.699 7.619 1.00 1.00 H new ATOM 0 HG21 ILE A 47 13.019 1.734 7.964 1.00 1.00 H new ATOM 0 HG22 ILE A 47 13.053 1.025 6.332 1.00 1.00 H new ATOM 0 HG23 ILE A 47 12.895 2.786 6.533 1.00 1.00 H new ATOM 0 HD11 ILE A 47 8.493 3.262 8.609 1.00 1.00 H new ATOM 0 HD12 ILE A 47 8.546 2.696 6.923 1.00 1.00 H new ATOM 0 HD13 ILE A 47 8.669 1.527 8.258 1.00 1.00 H new ATOM 754 N MET A 48 12.557 1.686 4.292 1.00 1.00 N ATOM 755 CA MET A 48 13.554 2.151 3.343 1.00 1.00 C ATOM 756 C MET A 48 12.891 2.803 2.127 1.00 1.00 C ATOM 757 O MET A 48 12.899 4.025 1.992 1.00 1.00 O ATOM 758 CB MET A 48 14.414 0.972 2.885 1.00 1.00 C ATOM 759 CG MET A 48 13.642 -0.345 2.993 1.00 1.00 C ATOM 760 SD MET A 48 14.185 -1.477 1.725 1.00 1.00 S ATOM 761 CE MET A 48 13.582 -0.630 0.274 1.00 1.00 C ATOM 0 H MET A 48 12.766 0.786 4.723 1.00 1.00 H new ATOM 0 HA MET A 48 14.178 2.896 3.837 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.732 1.128 1.854 1.00 1.00 H new ATOM 0 HB3 MET A 48 15.318 0.919 3.492 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.797 -0.787 3.977 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.573 -0.159 2.892 1.00 1.00 H new ATOM 0 HE1 MET A 48 13.726 -1.262 -0.602 1.00 1.00 H new ATOM 0 HE2 MET A 48 12.521 -0.413 0.394 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.130 0.303 0.143 1.00 1.00 H new ATOM 771 N GLY A 49 12.334 1.957 1.273 1.00 1.00 N ATOM 772 CA GLY A 49 11.669 2.434 0.073 1.00 1.00 C ATOM 773 C GLY A 49 10.597 3.471 0.416 1.00 1.00 C ATOM 774 O GLY A 49 10.490 4.501 -0.248 1.00 1.00 O ATOM 0 H GLY A 49 12.330 0.944 1.389 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.402 2.874 -0.603 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.213 1.595 -0.453 1.00 1.00 H new ATOM 778 N VAL A 50 9.832 3.164 1.452 1.00 1.00 N ATOM 779 CA VAL A 50 8.773 4.056 1.892 1.00 1.00 C ATOM 780 C VAL A 50 9.386 5.380 2.353 1.00 1.00 C ATOM 781 O VAL A 50 8.945 6.451 1.937 1.00 1.00 O ATOM 782 CB VAL A 50 7.932 3.378 2.975 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.753 4.296 4.186 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.577 2.933 2.419 1.00 1.00 C ATOM 0 H VAL A 50 9.924 2.309 2.000 1.00 1.00 H new ATOM 0 HA VAL A 50 8.096 4.280 1.067 1.00 1.00 H new ATOM 0 HB VAL A 50 8.467 2.488 3.306 1.00 1.00 H new ATOM 0 HG11 VAL A 50 7.151 3.789 4.941 1.00 1.00 H new ATOM 0 HG12 VAL A 50 8.729 4.541 4.604 1.00 1.00 H new ATOM 0 HG13 VAL A 50 7.251 5.213 3.877 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.999 2.454 3.209 1.00 1.00 H new ATOM 0 HG22 VAL A 50 6.033 3.801 2.047 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.733 2.226 1.604 1.00 1.00 H new ATOM 794 N MET A 51 10.393 5.264 3.206 1.00 1.00 N ATOM 795 CA MET A 51 11.071 6.438 3.728 1.00 1.00 C ATOM 796 C MET A 51 11.300 7.474 2.626 1.00 1.00 C ATOM 797 O MET A 51 10.828 8.606 2.725 1.00 1.00 O ATOM 798 CB MET A 51 12.417 6.026 4.328 1.00 1.00 C ATOM 799 CG MET A 51 13.215 7.251 4.778 1.00 1.00 C ATOM 800 SD MET A 51 13.373 7.259 6.556 1.00 1.00 S ATOM 801 CE MET A 51 11.775 6.607 7.011 1.00 1.00 C ATOM 0 H MET A 51 10.756 4.374 3.549 1.00 1.00 H new ATOM 0 HA MET A 51 10.442 6.886 4.497 1.00 1.00 H new ATOM 0 HB2 MET A 51 12.253 5.363 5.177 1.00 1.00 H new ATOM 0 HB3 MET A 51 12.991 5.464 3.591 1.00 1.00 H new ATOM 0 HG2 MET A 51 14.203 7.241 4.317 1.00 1.00 H new ATOM 0 HG3 MET A 51 12.717 8.162 4.445 1.00 1.00 H new ATOM 0 HE1 MET A 51 11.588 6.805 8.066 1.00 1.00 H new ATOM 0 HE2 MET A 51 11.002 7.086 6.410 1.00 1.00 H new ATOM 0 HE3 MET A 51 11.757 5.531 6.835 1.00 1.00 H new ATOM 811 N SER A 52 12.025 7.051 1.600 1.00 1.00 N ATOM 812 CA SER A 52 12.322 7.928 0.481 1.00 1.00 C ATOM 813 C SER A 52 11.052 8.186 -0.333 1.00 1.00 C ATOM 814 O SER A 52 11.031 9.061 -1.197 1.00 1.00 O ATOM 815 CB SER A 52 13.413 7.333 -0.411 1.00 1.00 C ATOM 816 OG SER A 52 12.893 6.870 -1.654 1.00 1.00 O ATOM 0 H SER A 52 12.415 6.112 1.521 1.00 1.00 H new ATOM 0 HA SER A 52 12.691 8.874 0.877 1.00 1.00 H new ATOM 0 HB2 SER A 52 14.180 8.085 -0.596 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.897 6.507 0.110 1.00 1.00 H new ATOM 0 HG SER A 52 13.621 6.499 -2.195 1.00 1.00 H new ATOM 822 N LEU A 53 10.025 7.407 -0.029 1.00 1.00 N ATOM 823 CA LEU A 53 8.754 7.539 -0.722 1.00 1.00 C ATOM 824 C LEU A 53 7.854 8.504 0.052 1.00 1.00 C ATOM 825 O LEU A 53 7.940 9.718 -0.126 1.00 1.00 O ATOM 826 CB LEU A 53 8.125 6.164 -0.956 1.00 1.00 C ATOM 827 CG LEU A 53 6.905 6.133 -1.878 1.00 1.00 C ATOM 828 CD1 LEU A 53 6.466 4.694 -2.158 1.00 1.00 C ATOM 829 CD2 LEU A 53 5.765 6.979 -1.307 1.00 1.00 C ATOM 0 H LEU A 53 10.046 6.682 0.688 1.00 1.00 H new ATOM 0 HA LEU A 53 8.903 7.967 -1.713 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.887 5.504 -1.372 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.836 5.749 0.010 1.00 1.00 H new ATOM 0 HG LEU A 53 7.187 6.575 -2.833 1.00 1.00 H new ATOM 0 HD11 LEU A 53 5.597 4.700 -2.816 1.00 1.00 H new ATOM 0 HD12 LEU A 53 7.281 4.152 -2.638 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.207 4.203 -1.220 1.00 1.00 H new ATOM 0 HD21 LEU A 53 4.910 6.940 -1.982 1.00 1.00 H new ATOM 0 HD22 LEU A 53 5.476 6.589 -0.331 1.00 1.00 H new ATOM 0 HD23 LEU A 53 6.096 8.012 -1.201 1.00 1.00 H new ATOM 841 N GLY A 54 7.011 7.927 0.896 1.00 1.00 N ATOM 842 CA GLY A 54 6.095 8.720 1.699 1.00 1.00 C ATOM 843 C GLY A 54 5.187 9.573 0.811 1.00 1.00 C ATOM 844 O GLY A 54 5.667 10.307 -0.051 1.00 1.00 O ATOM 0 H GLY A 54 6.943 6.920 1.041 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.488 8.062 2.321 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.660 9.364 2.373 1.00 1.00 H new ATOM 848 N VAL A 55 3.890 9.449 1.054 1.00 1.00 N ATOM 849 CA VAL A 55 2.910 10.199 0.288 1.00 1.00 C ATOM 850 C VAL A 55 2.015 10.988 1.246 1.00 1.00 C ATOM 851 O VAL A 55 2.245 10.991 2.454 1.00 1.00 O ATOM 852 CB VAL A 55 2.123 9.255 -0.624 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.645 9.319 -2.061 1.00 1.00 C ATOM 854 CG2 VAL A 55 2.160 7.822 -0.090 1.00 1.00 C ATOM 0 H VAL A 55 3.496 8.840 1.771 1.00 1.00 H new ATOM 0 HA VAL A 55 3.405 10.920 -0.363 1.00 1.00 H new ATOM 0 HB VAL A 55 1.084 9.584 -0.631 1.00 1.00 H new ATOM 0 HG11 VAL A 55 2.069 8.639 -2.688 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.544 10.336 -2.440 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.695 9.028 -2.080 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.594 7.171 -0.756 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.193 7.479 -0.040 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.719 7.794 0.907 1.00 1.00 H new ATOM 864 N GLY A 56 1.014 11.638 0.671 1.00 1.00 N ATOM 865 CA GLY A 56 0.084 12.429 1.459 1.00 1.00 C ATOM 866 C GLY A 56 -0.609 13.484 0.594 1.00 1.00 C ATOM 867 O GLY A 56 -1.718 13.264 0.110 1.00 1.00 O ATOM 0 H GLY A 56 0.827 11.633 -0.332 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.663 11.776 1.910 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.617 12.916 2.276 1.00 1.00 H new ATOM 871 N GLN A 57 0.075 14.606 0.425 1.00 1.00 N ATOM 872 CA GLN A 57 -0.461 15.696 -0.373 1.00 1.00 C ATOM 873 C GLN A 57 -1.025 15.161 -1.691 1.00 1.00 C ATOM 874 O GLN A 57 -0.360 15.218 -2.724 1.00 1.00 O ATOM 875 CB GLN A 57 0.604 16.765 -0.627 1.00 1.00 C ATOM 876 CG GLN A 57 1.547 16.342 -1.755 1.00 1.00 C ATOM 877 CD GLN A 57 2.949 16.919 -1.543 1.00 1.00 C ATOM 878 OE1 GLN A 57 3.126 18.034 -1.081 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.931 16.099 -1.905 1.00 1.00 N ATOM 0 H GLN A 57 0.995 14.784 0.827 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.273 16.163 0.185 1.00 1.00 H new ATOM 0 HB2 GLN A 57 0.123 17.709 -0.885 1.00 1.00 H new ATOM 0 HB3 GLN A 57 1.176 16.937 0.285 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.601 15.254 -1.800 1.00 1.00 H new ATOM 0 HG3 GLN A 57 1.151 16.682 -2.712 1.00 1.00 H new ATOM 0 HE21 GLN A 57 3.712 15.178 -2.285 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.903 16.391 -1.803 1.00 1.00 H new ATOM 888 N GLY A 58 -2.246 14.653 -1.612 1.00 1.00 N ATOM 889 CA GLY A 58 -2.908 14.108 -2.785 1.00 1.00 C ATOM 890 C GLY A 58 -1.964 13.196 -3.572 1.00 1.00 C ATOM 891 O GLY A 58 -2.286 12.773 -4.682 1.00 1.00 O ATOM 0 H GLY A 58 -2.795 14.607 -0.753 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -3.792 13.547 -2.481 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.251 14.921 -3.424 1.00 1.00 H new ATOM 895 N SER A 59 -0.818 12.920 -2.967 1.00 1.00 N ATOM 896 CA SER A 59 0.174 12.065 -3.598 1.00 1.00 C ATOM 897 C SER A 59 -0.487 10.782 -4.105 1.00 1.00 C ATOM 898 O SER A 59 -1.245 10.141 -3.379 1.00 1.00 O ATOM 899 CB SER A 59 1.308 11.730 -2.628 1.00 1.00 C ATOM 900 OG SER A 59 1.773 12.883 -1.930 1.00 1.00 O ATOM 0 H SER A 59 -0.554 13.273 -2.047 1.00 1.00 H new ATOM 0 HA SER A 59 0.602 12.604 -4.443 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.963 10.986 -1.910 1.00 1.00 H new ATOM 0 HB3 SER A 59 2.135 11.282 -3.178 1.00 1.00 H new ATOM 0 HG SER A 59 2.594 12.661 -1.442 1.00 1.00 H new ATOM 906 N ASP A 60 -0.176 10.446 -5.348 1.00 1.00 N ATOM 907 CA ASP A 60 -0.730 9.251 -5.962 1.00 1.00 C ATOM 908 C ASP A 60 0.272 8.102 -5.826 1.00 1.00 C ATOM 909 O ASP A 60 1.482 8.324 -5.836 1.00 1.00 O ATOM 910 CB ASP A 60 -0.999 9.470 -7.451 1.00 1.00 C ATOM 911 CG ASP A 60 0.249 9.692 -8.308 1.00 1.00 C ATOM 912 OD1 ASP A 60 1.037 10.591 -7.942 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.387 8.958 -9.311 1.00 1.00 O ATOM 0 H ASP A 60 0.453 10.981 -5.947 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.668 9.017 -5.458 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.538 8.606 -7.838 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.656 10.332 -7.563 1.00 1.00 H new ATOM 918 N VAL A 61 -0.269 6.899 -5.703 1.00 1.00 N ATOM 919 CA VAL A 61 0.562 5.715 -5.566 1.00 1.00 C ATOM 920 C VAL A 61 -0.163 4.515 -6.178 1.00 1.00 C ATOM 921 O VAL A 61 -1.320 4.623 -6.582 1.00 1.00 O ATOM 922 CB VAL A 61 0.934 5.504 -4.097 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.743 6.687 -3.561 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.313 5.261 -3.245 1.00 1.00 C ATOM 0 H VAL A 61 -1.273 6.719 -5.695 1.00 1.00 H new ATOM 0 HA VAL A 61 1.499 5.840 -6.109 1.00 1.00 H new ATOM 0 HB VAL A 61 1.560 4.614 -4.034 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.994 6.512 -2.515 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.659 6.794 -4.142 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.152 7.599 -3.644 1.00 1.00 H new ATOM 0 HG21 VAL A 61 -0.020 5.114 -2.205 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.976 6.123 -3.317 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.832 4.373 -3.605 1.00 1.00 H new ATOM 934 N THR A 62 0.547 3.397 -6.226 1.00 1.00 N ATOM 935 CA THR A 62 -0.015 2.177 -6.782 1.00 1.00 C ATOM 936 C THR A 62 0.249 0.995 -5.847 1.00 1.00 C ATOM 937 O THR A 62 1.398 0.703 -5.519 1.00 1.00 O ATOM 938 CB THR A 62 0.567 1.985 -8.184 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.386 2.606 -9.043 1.00 1.00 O ATOM 940 CG2 THR A 62 0.565 0.519 -8.623 1.00 1.00 C ATOM 0 H THR A 62 1.506 3.310 -5.889 1.00 1.00 H new ATOM 0 HA THR A 62 -1.099 2.245 -6.871 1.00 1.00 H new ATOM 0 HB THR A 62 1.586 2.370 -8.210 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.473 3.553 -8.805 1.00 1.00 H new ATOM 0 HG21 THR A 62 0.988 0.438 -9.624 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.163 -0.070 -7.928 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.458 0.143 -8.630 1.00 1.00 H new ATOM 948 N ILE A 63 -0.834 0.346 -5.446 1.00 1.00 N ATOM 949 CA ILE A 63 -0.734 -0.798 -4.556 1.00 1.00 C ATOM 950 C ILE A 63 -0.730 -2.084 -5.384 1.00 1.00 C ATOM 951 O ILE A 63 -1.411 -2.171 -6.405 1.00 1.00 O ATOM 952 CB ILE A 63 -1.838 -0.751 -3.497 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.258 -0.928 -2.092 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.931 -1.777 -3.799 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.116 0.420 -1.383 1.00 1.00 C ATOM 0 H ILE A 63 -1.785 0.591 -5.721 1.00 1.00 H new ATOM 0 HA ILE A 63 0.206 -0.771 -4.005 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.303 0.234 -3.532 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.904 -1.584 -1.508 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.284 -1.414 -2.155 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.703 -1.723 -3.031 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.372 -1.563 -4.773 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.498 -2.777 -3.808 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.702 0.265 -0.387 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.450 1.065 -1.957 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.095 0.892 -1.300 1.00 1.00 H new ATOM 967 N THR A 64 0.043 -3.051 -4.913 1.00 1.00 N ATOM 968 CA THR A 64 0.144 -4.329 -5.597 1.00 1.00 C ATOM 969 C THR A 64 -0.071 -5.480 -4.613 1.00 1.00 C ATOM 970 O THR A 64 0.403 -5.429 -3.479 1.00 1.00 O ATOM 971 CB THR A 64 1.500 -4.380 -6.305 1.00 1.00 C ATOM 972 OG1 THR A 64 1.712 -3.042 -6.747 1.00 1.00 O ATOM 973 CG2 THR A 64 1.454 -5.197 -7.599 1.00 1.00 C ATOM 0 H THR A 64 0.606 -2.975 -4.066 1.00 1.00 H new ATOM 0 HA THR A 64 -0.637 -4.437 -6.350 1.00 1.00 H new ATOM 0 HB THR A 64 2.245 -4.806 -5.633 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.571 -2.984 -7.216 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.441 -5.201 -8.062 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.155 -6.220 -7.373 1.00 1.00 H new ATOM 0 HG23 THR A 64 0.734 -4.752 -8.285 1.00 1.00 H new ATOM 981 N VAL A 65 -0.787 -6.491 -5.082 1.00 1.00 N ATOM 982 CA VAL A 65 -1.071 -7.653 -4.256 1.00 1.00 C ATOM 983 C VAL A 65 -0.728 -8.924 -5.037 1.00 1.00 C ATOM 984 O VAL A 65 -1.390 -9.248 -6.022 1.00 1.00 O ATOM 985 CB VAL A 65 -2.525 -7.616 -3.783 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.482 -7.975 -4.922 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.734 -8.538 -2.580 1.00 1.00 C ATOM 0 H VAL A 65 -1.179 -6.530 -6.023 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.452 -7.645 -3.359 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.748 -6.597 -3.467 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.509 -7.941 -4.559 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.362 -7.261 -5.737 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.258 -8.979 -5.283 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.776 -8.493 -2.264 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.483 -9.562 -2.858 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -2.092 -8.217 -1.760 1.00 1.00 H new ATOM 997 N ASP A 66 0.305 -9.608 -4.568 1.00 1.00 N ATOM 998 CA ASP A 66 0.743 -10.836 -5.210 1.00 1.00 C ATOM 999 C ASP A 66 0.678 -11.985 -4.201 1.00 1.00 C ATOM 1000 O ASP A 66 1.282 -11.912 -3.132 1.00 1.00 O ATOM 1001 CB ASP A 66 2.187 -10.717 -5.699 1.00 1.00 C ATOM 1002 CG ASP A 66 2.773 -9.305 -5.647 1.00 1.00 C ATOM 1003 OD1 ASP A 66 2.022 -8.366 -5.989 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.959 -9.195 -5.267 1.00 1.00 O ATOM 0 H ASP A 66 0.851 -9.335 -3.751 1.00 1.00 H new ATOM 0 HA ASP A 66 0.089 -11.024 -6.061 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.814 -11.376 -5.098 1.00 1.00 H new ATOM 0 HB3 ASP A 66 2.238 -11.078 -6.726 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.060 -13.019 -4.577 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.212 -14.182 -3.719 1.00 1.00 C ATOM 1011 C GLY A 67 -1.686 -14.565 -3.571 1.00 1.00 C ATOM 1012 O GLY A 67 -2.528 -14.122 -4.350 1.00 1.00 O ATOM 0 H GLY A 67 -0.559 -13.076 -5.465 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.345 -15.021 -4.135 1.00 1.00 H new ATOM 0 HA3 GLY A 67 0.213 -13.972 -2.738 1.00 1.00 H new ATOM 1016 N ALA A 68 -1.952 -15.385 -2.565 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.309 -15.834 -2.305 1.00 1.00 C ATOM 1018 C ALA A 68 -4.164 -14.639 -1.877 1.00 1.00 C ATOM 1019 O ALA A 68 -5.098 -14.256 -2.579 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.288 -16.942 -1.250 1.00 1.00 C ATOM 0 H ALA A 68 -1.251 -15.750 -1.920 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.754 -16.252 -3.208 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.306 -17.278 -1.055 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.692 -17.779 -1.614 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.850 -16.559 -0.328 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.813 -14.083 -0.726 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.535 -12.939 -0.196 1.00 1.00 C ATOM 1028 C ASP A 69 -4.898 -11.994 -1.344 1.00 1.00 C ATOM 1029 O ASP A 69 -5.907 -11.294 -1.281 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.678 -12.161 0.804 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.274 -12.039 2.208 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -5.026 -11.063 2.422 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -3.965 -12.923 3.035 1.00 1.00 O ATOM 0 H ASP A 69 -3.038 -14.404 -0.146 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.429 -13.308 0.307 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.704 -12.645 0.880 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.506 -11.159 0.410 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.054 -12.005 -2.365 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.273 -11.157 -3.525 1.00 1.00 C ATOM 1040 C GLU A 70 -5.586 -10.387 -3.380 1.00 1.00 C ATOM 1041 O GLU A 70 -5.580 -9.185 -3.119 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.259 -11.979 -4.815 1.00 1.00 C ATOM 1043 CG GLU A 70 -2.892 -11.906 -5.498 1.00 1.00 C ATOM 1044 CD GLU A 70 -2.760 -12.982 -6.578 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -3.732 -13.133 -7.350 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -1.691 -13.628 -6.608 1.00 1.00 O ATOM 0 H GLU A 70 -3.218 -12.587 -2.413 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.457 -10.437 -3.583 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -4.502 -13.018 -4.591 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -5.028 -11.610 -5.493 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -2.756 -10.920 -5.943 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -2.104 -12.032 -4.756 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.682 -11.111 -3.554 1.00 1.00 N ATOM 1054 CA ALA A 71 -8.001 -10.510 -3.445 1.00 1.00 C ATOM 1055 C ALA A 71 -8.137 -9.832 -2.080 1.00 1.00 C ATOM 1056 O ALA A 71 -8.129 -8.605 -1.989 1.00 1.00 O ATOM 1057 CB ALA A 71 -9.070 -11.581 -3.673 1.00 1.00 C ATOM 0 H ALA A 71 -6.684 -12.108 -3.770 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.138 -9.744 -4.208 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -10.059 -11.131 -3.591 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.948 -12.011 -4.667 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.965 -12.365 -2.923 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.258 -10.660 -1.053 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.395 -10.155 0.303 1.00 1.00 C ATOM 1065 C GLU A 72 -7.339 -9.083 0.579 1.00 1.00 C ATOM 1066 O GLU A 72 -7.663 -7.998 1.061 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.303 -11.292 1.322 1.00 1.00 C ATOM 1068 CG GLU A 72 -8.073 -12.635 0.627 1.00 1.00 C ATOM 1069 CD GLU A 72 -7.883 -13.757 1.651 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -8.912 -14.204 2.201 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -6.712 -14.142 1.859 1.00 1.00 O ATOM 0 H GLU A 72 -8.264 -11.677 -1.132 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.380 -9.700 0.404 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.488 -11.095 2.019 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -9.221 -11.335 1.908 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.922 -12.865 -0.017 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.194 -12.571 -0.015 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.099 -9.424 0.263 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.994 -8.504 0.472 1.00 1.00 C ATOM 1080 C GLY A 73 -5.342 -7.104 -0.038 1.00 1.00 C ATOM 1081 O GLY A 73 -5.691 -6.223 0.746 1.00 1.00 O ATOM 0 H GLY A 73 -5.835 -10.325 -0.136 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.750 -8.458 1.533 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.107 -8.872 -0.043 1.00 1.00 H new ATOM 1085 N MET A 74 -5.235 -6.943 -1.349 1.00 1.00 N ATOM 1086 CA MET A 74 -5.534 -5.665 -1.972 1.00 1.00 C ATOM 1087 C MET A 74 -6.943 -5.193 -1.607 1.00 1.00 C ATOM 1088 O MET A 74 -7.189 -3.993 -1.493 1.00 1.00 O ATOM 1089 CB MET A 74 -5.419 -5.799 -3.492 1.00 1.00 C ATOM 1090 CG MET A 74 -6.297 -6.940 -4.010 1.00 1.00 C ATOM 1091 SD MET A 74 -7.607 -6.286 -5.031 1.00 1.00 S ATOM 1092 CE MET A 74 -9.016 -7.077 -4.273 1.00 1.00 C ATOM 0 H MET A 74 -4.946 -7.676 -1.996 1.00 1.00 H new ATOM 0 HA MET A 74 -4.818 -4.928 -1.607 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.715 -4.863 -3.967 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.380 -5.981 -3.767 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.693 -7.643 -4.584 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.720 -7.494 -3.172 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.452 -7.791 -4.972 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.698 -7.600 -3.371 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.759 -6.324 -4.012 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.830 -6.161 -1.432 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.207 -5.860 -1.082 1.00 1.00 C ATOM 1104 C ALA A 75 -9.227 -4.839 0.058 1.00 1.00 C ATOM 1105 O ALA A 75 -9.850 -3.785 -0.059 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.937 -7.155 -0.717 1.00 1.00 C ATOM 0 H ALA A 75 -7.622 -7.155 -1.526 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.731 -5.419 -1.930 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.970 -6.929 -0.454 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.920 -7.835 -1.569 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.441 -7.625 0.132 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.538 -5.188 1.135 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.469 -4.315 2.294 1.00 1.00 C ATOM 1114 C ALA A 76 -7.779 -3.007 1.902 1.00 1.00 C ATOM 1115 O ALA A 76 -8.362 -1.931 2.029 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.747 -5.036 3.434 1.00 1.00 C ATOM 0 H ALA A 76 -8.023 -6.063 1.229 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.470 -4.067 2.647 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.695 -4.381 4.304 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.293 -5.943 3.695 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.738 -5.299 3.117 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.548 -3.142 1.433 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.773 -1.984 1.021 1.00 1.00 C ATOM 1124 C ILE A 77 -6.639 -1.083 0.139 1.00 1.00 C ATOM 1125 O ILE A 77 -6.802 0.102 0.427 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.466 -2.423 0.356 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.282 -2.253 1.309 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.249 -1.683 -0.966 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.293 -0.868 1.958 1.00 1.00 C ATOM 0 H ILE A 77 -6.068 -4.036 1.329 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.480 -1.394 1.889 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.541 -3.485 0.123 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.320 -3.021 2.082 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.349 -2.395 0.764 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.314 -2.013 -1.418 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.075 -1.898 -1.643 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.203 -0.610 -0.779 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.440 -0.775 2.631 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.230 -0.103 1.184 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.216 -0.738 2.523 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.172 -1.678 -0.918 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.018 -0.944 -1.843 1.00 1.00 C ATOM 1143 C VAL A 78 -9.143 -0.258 -1.065 1.00 1.00 C ATOM 1144 O VAL A 78 -9.255 0.967 -1.079 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.533 -1.881 -2.937 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.266 -1.099 -4.029 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.393 -2.712 -3.529 1.00 1.00 C ATOM 0 H VAL A 78 -7.034 -2.661 -1.154 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.447 -0.163 -2.345 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.246 -2.568 -2.481 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.622 -1.789 -4.794 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.115 -0.573 -3.592 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.584 -0.378 -4.480 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -7.787 -3.369 -4.304 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.645 -2.048 -3.962 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -6.934 -3.312 -2.743 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.947 -1.078 -0.404 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.059 -0.565 0.378 1.00 1.00 C ATOM 1159 C GLU A 79 -10.569 0.496 1.365 1.00 1.00 C ATOM 1160 O GLU A 79 -11.180 1.555 1.497 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.785 -1.698 1.107 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.083 -2.069 0.387 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.297 -1.826 1.286 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.211 -0.896 2.117 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.284 -2.575 1.122 1.00 1.00 O ATOM 0 H GLU A 79 -9.851 -2.093 -0.394 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.772 -0.099 -0.302 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.136 -2.571 1.167 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -12.006 -1.394 2.130 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.178 -1.480 -0.525 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.051 -3.117 0.088 1.00 1.00 H new ATOM 1172 N THR A 80 -9.471 0.175 2.033 1.00 1.00 N ATOM 1173 CA THR A 80 -8.892 1.088 3.004 1.00 1.00 C ATOM 1174 C THR A 80 -8.447 2.382 2.320 1.00 1.00 C ATOM 1175 O THR A 80 -8.767 3.475 2.785 1.00 1.00 O ATOM 1176 CB THR A 80 -7.754 0.357 3.720 1.00 1.00 C ATOM 1177 OG1 THR A 80 -8.115 0.417 5.097 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.431 1.121 3.648 1.00 1.00 C ATOM 0 H THR A 80 -8.967 -0.705 1.921 1.00 1.00 H new ATOM 0 HA THR A 80 -9.626 1.388 3.751 1.00 1.00 H new ATOM 0 HB THR A 80 -7.626 -0.633 3.282 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.432 -0.035 5.634 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.657 0.559 4.171 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.142 1.251 2.605 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.549 2.098 4.116 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.716 2.216 1.228 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.225 3.357 0.475 1.00 1.00 C ATOM 1188 C LEU A 81 -8.352 4.378 0.309 1.00 1.00 C ATOM 1189 O LEU A 81 -8.137 5.578 0.472 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.609 2.901 -0.849 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.166 2.395 -0.779 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.216 3.346 -1.509 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.739 2.158 0.671 1.00 1.00 C ATOM 0 H LEU A 81 -7.452 1.308 0.846 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.422 3.854 1.019 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.232 2.107 -1.262 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.647 3.734 -1.551 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.115 1.434 -1.291 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.197 2.963 -1.444 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.510 3.421 -2.556 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.263 4.332 -1.048 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.710 1.799 0.693 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.809 3.092 1.228 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.393 1.414 1.126 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.530 3.863 -0.012 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.693 4.714 -0.201 1.00 1.00 C ATOM 1207 C GLN A 82 -11.522 4.774 1.083 1.00 1.00 C ATOM 1208 O GLN A 82 -12.357 5.662 1.246 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.540 4.231 -1.380 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.673 3.534 -2.430 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.162 2.107 -2.685 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -11.823 1.493 -1.864 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -10.800 1.615 -3.867 1.00 1.00 N ATOM 0 H GLN A 82 -9.704 2.867 -0.146 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.348 5.721 -0.433 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.308 3.544 -1.023 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -12.055 5.078 -1.833 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.695 4.102 -3.360 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.636 3.512 -2.095 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -10.246 2.183 -4.508 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -11.077 0.670 -4.132 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.263 3.817 1.962 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.975 3.750 3.227 1.00 1.00 C ATOM 1224 C LYS A 83 -11.340 4.727 4.218 1.00 1.00 C ATOM 1225 O LYS A 83 -12.043 5.391 4.978 1.00 1.00 O ATOM 1226 CB LYS A 83 -12.029 2.307 3.735 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.542 2.217 5.182 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.707 0.798 5.729 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.633 -0.236 4.603 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.896 -1.594 5.128 1.00 1.00 N ATOM 0 H LYS A 83 -10.570 3.082 1.823 1.00 1.00 H new ATOM 0 HA LYS A 83 -13.013 4.058 3.097 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -13.050 1.932 3.667 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.413 1.671 3.100 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.494 2.512 5.236 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -12.102 2.917 5.802 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.929 0.595 6.465 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.664 0.712 6.244 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.360 0.008 3.829 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.648 -0.204 4.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.842 -2.283 4.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -11.186 -1.830 5.850 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.845 -1.624 5.552 1.00 1.00 H new ATOM 1244 N GLU A 84 -10.017 4.785 4.177 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.279 5.670 5.062 1.00 1.00 C ATOM 1246 C GLU A 84 -8.928 6.972 4.339 1.00 1.00 C ATOM 1247 O GLU A 84 -8.016 7.688 4.750 1.00 1.00 O ATOM 1248 CB GLU A 84 -8.021 4.984 5.599 1.00 1.00 C ATOM 1249 CG GLU A 84 -8.239 3.477 5.750 1.00 1.00 C ATOM 1250 CD GLU A 84 -9.092 3.168 6.981 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.545 4.143 7.618 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -9.272 1.962 7.258 1.00 1.00 O ATOM 0 H GLU A 84 -9.437 4.233 3.545 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.913 5.911 5.915 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.186 5.168 4.923 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.752 5.414 6.564 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.727 3.085 4.857 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.276 2.973 5.834 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.670 7.238 3.275 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.449 8.441 2.490 1.00 1.00 C ATOM 1261 C GLY A 85 -7.957 8.663 2.235 1.00 1.00 C ATOM 1262 O GLY A 85 -7.519 9.794 2.033 1.00 1.00 O ATOM 0 H GLY A 85 -10.425 6.641 2.938 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -9.976 8.361 1.539 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.864 9.302 3.013 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.217 7.563 2.251 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.783 7.623 2.023 1.00 1.00 C ATOM 1268 C LEU A 86 -5.502 7.472 0.527 1.00 1.00 C ATOM 1269 O LEU A 86 -4.364 7.628 0.087 1.00 1.00 O ATOM 1270 CB LEU A 86 -5.060 6.592 2.892 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.398 7.130 4.161 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.864 5.988 5.028 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.308 8.149 3.822 1.00 1.00 C ATOM 0 H LEU A 86 -7.584 6.626 2.418 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.389 8.593 2.325 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.776 5.822 3.178 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.296 6.107 2.285 1.00 1.00 H new ATOM 0 HG LEU A 86 -5.156 7.651 4.746 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -3.398 6.398 5.924 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.687 5.333 5.314 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -3.126 5.418 4.464 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.854 8.516 4.742 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.545 7.674 3.205 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.748 8.984 3.277 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.559 7.172 -0.214 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.440 6.999 -1.652 1.00 1.00 C ATOM 1287 C ALA A 87 -7.838 6.909 -2.268 1.00 1.00 C ATOM 1288 O ALA A 87 -8.806 6.601 -1.575 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.590 5.762 -1.949 1.00 1.00 C ATOM 0 H ALA A 87 -7.502 7.044 0.154 1.00 1.00 H new ATOM 0 HA ALA A 87 -5.937 7.855 -2.101 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.501 5.632 -3.028 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.598 5.890 -1.516 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -6.065 4.882 -1.516 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.898 7.182 -3.562 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.161 7.135 -4.279 1.00 1.00 C ATOM 1297 C GLU A 88 -9.335 5.775 -4.959 1.00 1.00 C ATOM 1298 O GLU A 88 -8.505 4.883 -4.792 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.256 8.273 -5.298 1.00 1.00 C ATOM 1300 CG GLU A 88 -7.977 8.371 -6.132 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.290 8.801 -7.566 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -8.833 9.916 -7.719 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -7.978 8.004 -8.478 1.00 1.00 O ATOM 0 H GLU A 88 -7.092 7.437 -4.133 1.00 1.00 H new ATOM 0 HA GLU A 88 -9.970 7.266 -3.560 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.110 8.108 -5.954 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.430 9.216 -4.780 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.294 9.087 -5.675 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.469 7.407 -6.140 1.00 1.00 H new