USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 6 GLN : amide:sc= -2.17 K(o=-11,f=-8.4) USER MOD Set 1.2: A 7 GLN : amide:sc= -8.85! C(o=-11!,f=-14!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0545 USER MOD Single : A 3 MET CE :methyl -139:sc= -0.0036 (180deg=-0.09) USER MOD Single : A 4 THR OG1 : rot 9:sc= 0.349 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 18 MET CE :methyl 157:sc= -0.0153 (180deg=-0.437) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -165:sc= -0.623 (180deg=-1.66) USER MOD Single : A 38 SER OG : rot 170:sc= -2.36! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -133:sc= -6.6! (180deg=-12.1!) USER MOD Single : A 48 MET CE :methyl 148:sc= -0.317 (180deg=-1.6) USER MOD Single : A 51 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.7) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 103:sc= 0.934 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0406 K(o=-0.041,f=-1.2) USER MOD Single : A 86 MET CE :methyl -155:sc= -1.58 (180deg=-3.33!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.921 1.281 -20.765 1.00 0.00 N ATOM 2 CA ALA A 1 -16.477 1.458 -21.021 1.00 0.00 C ATOM 3 C ALA A 1 -16.260 2.633 -22.014 1.00 0.00 C ATOM 4 O ALA A 1 -16.071 2.417 -23.217 1.00 0.00 O ATOM 5 CB ALA A 1 -15.872 0.144 -21.548 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.062 0.494 -20.100 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.311 2.154 -20.355 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.409 1.070 -21.659 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.965 1.708 -20.092 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.807 0.283 -21.734 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -16.011 -0.643 -20.807 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.369 -0.139 -22.476 1.00 0.00 H new ATOM 13 N SER A 2 -16.281 3.871 -21.486 1.00 0.00 N ATOM 14 CA SER A 2 -16.069 5.101 -22.294 1.00 0.00 C ATOM 15 C SER A 2 -15.317 6.163 -21.446 1.00 0.00 C ATOM 16 O SER A 2 -14.208 6.582 -21.797 1.00 0.00 O ATOM 17 CB SER A 2 -17.432 5.619 -22.810 1.00 0.00 C ATOM 18 OG SER A 2 -18.306 4.544 -23.139 1.00 0.00 O ATOM 0 H SER A 2 -16.444 4.053 -20.496 1.00 0.00 H new ATOM 0 HA SER A 2 -15.449 4.881 -23.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.896 6.247 -22.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.276 6.245 -23.689 1.00 0.00 H new ATOM 0 HG SER A 2 -19.159 4.903 -23.460 1.00 0.00 H new ATOM 24 N MET A 3 -15.946 6.596 -20.337 1.00 0.00 N ATOM 25 CA MET A 3 -15.347 7.576 -19.393 1.00 0.00 C ATOM 26 C MET A 3 -14.279 6.861 -18.521 1.00 0.00 C ATOM 27 O MET A 3 -13.833 5.755 -18.848 1.00 0.00 O ATOM 28 CB MET A 3 -16.466 8.232 -18.538 1.00 0.00 C ATOM 29 CG MET A 3 -17.654 8.815 -19.326 1.00 0.00 C ATOM 30 SD MET A 3 -17.209 10.388 -20.100 1.00 0.00 S ATOM 31 CE MET A 3 -16.770 9.864 -21.769 1.00 0.00 C ATOM 0 H MET A 3 -16.878 6.283 -20.066 1.00 0.00 H new ATOM 0 HA MET A 3 -14.847 8.376 -19.940 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.848 7.487 -17.839 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.022 9.030 -17.943 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.971 8.106 -20.091 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.502 8.962 -18.657 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.886 10.409 -22.101 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.559 8.795 -21.771 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.599 10.072 -22.445 1.00 0.00 H new ATOM 41 N THR A 4 -13.904 7.500 -17.397 1.00 0.00 N ATOM 42 CA THR A 4 -12.901 6.954 -16.445 1.00 0.00 C ATOM 43 C THR A 4 -13.226 7.413 -14.998 1.00 0.00 C ATOM 44 O THR A 4 -12.456 8.169 -14.386 1.00 0.00 O ATOM 45 CB THR A 4 -11.448 7.274 -16.916 1.00 0.00 C ATOM 46 OG1 THR A 4 -11.141 6.485 -18.061 1.00 0.00 O ATOM 47 CG2 THR A 4 -10.308 7.090 -15.894 1.00 0.00 C ATOM 0 H THR A 4 -14.282 8.405 -17.118 1.00 0.00 H new ATOM 0 HA THR A 4 -12.960 5.866 -16.432 1.00 0.00 H new ATOM 0 HB THR A 4 -11.477 8.346 -17.112 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.952 6.033 -18.374 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.357 7.349 -16.359 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.480 7.739 -15.036 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.280 6.052 -15.563 1.00 0.00 H new ATOM 55 N ASP A 5 -14.373 6.960 -14.461 1.00 0.00 N ATOM 56 CA ASP A 5 -14.840 7.309 -13.094 1.00 0.00 C ATOM 57 C ASP A 5 -14.246 6.320 -12.054 1.00 0.00 C ATOM 58 O ASP A 5 -14.825 6.144 -10.970 1.00 0.00 O ATOM 59 CB ASP A 5 -16.399 7.352 -13.025 1.00 0.00 C ATOM 60 CG ASP A 5 -17.121 6.020 -13.290 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.476 4.951 -13.197 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.333 6.040 -13.599 1.00 0.00 O ATOM 0 H ASP A 5 -15.010 6.338 -14.960 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.482 8.309 -12.850 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.690 7.710 -12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.755 8.086 -13.748 1.00 0.00 H new ATOM 67 N GLN A 6 -13.124 5.657 -12.389 1.00 0.00 N ATOM 68 CA GLN A 6 -12.509 4.603 -11.541 1.00 0.00 C ATOM 69 C GLN A 6 -11.560 5.291 -10.522 1.00 0.00 C ATOM 70 O GLN A 6 -11.773 5.210 -9.306 1.00 0.00 O ATOM 71 CB GLN A 6 -11.774 3.557 -12.427 1.00 0.00 C ATOM 72 CG GLN A 6 -12.251 2.090 -12.291 1.00 0.00 C ATOM 73 CD GLN A 6 -11.131 1.042 -12.419 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.220 -0.057 -11.871 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.062 1.352 -13.137 1.00 0.00 N ATOM 0 H GLN A 6 -12.613 5.832 -13.254 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.273 4.056 -10.989 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.880 3.856 -13.470 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.711 3.595 -12.191 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.738 1.967 -11.323 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.004 1.894 -13.054 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.997 2.265 -13.587 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.304 0.678 -13.240 1.00 0.00 H new ATOM 84 N GLN A 7 -10.517 5.964 -11.042 1.00 0.00 N ATOM 85 CA GLN A 7 -9.455 6.587 -10.210 1.00 0.00 C ATOM 86 C GLN A 7 -9.635 8.129 -10.203 1.00 0.00 C ATOM 87 O GLN A 7 -8.662 8.868 -9.987 1.00 0.00 O ATOM 88 CB GLN A 7 -8.037 6.235 -10.752 1.00 0.00 C ATOM 89 CG GLN A 7 -7.903 4.901 -11.519 1.00 0.00 C ATOM 90 CD GLN A 7 -8.532 3.715 -10.770 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.107 3.876 -9.691 1.00 0.00 O ATOM 92 NE2 GLN A 7 -8.445 2.509 -11.309 1.00 0.00 N ATOM 0 H GLN A 7 -10.381 6.094 -12.044 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.544 6.196 -9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.714 7.041 -11.411 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.345 6.215 -9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.377 5.000 -12.496 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.848 4.694 -11.696 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.968 2.383 -12.202 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.855 1.706 -10.832 1.00 0.00 H new ATOM 101 N ALA A 8 -10.869 8.610 -10.441 1.00 0.00 N ATOM 102 CA ALA A 8 -11.185 10.063 -10.465 1.00 0.00 C ATOM 103 C ALA A 8 -10.815 10.708 -9.101 1.00 0.00 C ATOM 104 O ALA A 8 -10.405 11.873 -9.044 1.00 0.00 O ATOM 105 CB ALA A 8 -12.677 10.250 -10.805 1.00 0.00 C ATOM 0 H ALA A 8 -11.675 8.012 -10.622 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.596 10.565 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.915 11.313 -10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.885 9.814 -11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.287 9.755 -10.049 1.00 0.00 H new ATOM 111 N GLU A 9 -10.939 9.919 -8.017 1.00 0.00 N ATOM 112 CA GLU A 9 -10.687 10.392 -6.630 1.00 0.00 C ATOM 113 C GLU A 9 -9.155 10.453 -6.381 1.00 0.00 C ATOM 114 O GLU A 9 -8.673 11.298 -5.616 1.00 0.00 O ATOM 115 CB GLU A 9 -11.406 9.501 -5.576 1.00 0.00 C ATOM 116 CG GLU A 9 -10.723 8.157 -5.230 1.00 0.00 C ATOM 117 CD GLU A 9 -11.273 7.515 -3.954 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.797 7.859 -2.850 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.188 6.667 -4.048 1.00 0.00 O ATOM 0 H GLU A 9 -11.215 8.939 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.104 11.393 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.511 10.077 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.413 9.290 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.853 7.465 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.651 8.320 -5.115 1.00 0.00 H new ATOM 126 N ALA A 10 -8.407 9.529 -7.012 1.00 0.00 N ATOM 127 CA ALA A 10 -6.942 9.386 -6.796 1.00 0.00 C ATOM 128 C ALA A 10 -6.193 10.600 -7.410 1.00 0.00 C ATOM 129 O ALA A 10 -5.223 11.102 -6.831 1.00 0.00 O ATOM 130 CB ALA A 10 -6.471 8.051 -7.405 1.00 0.00 C ATOM 0 H ALA A 10 -8.790 8.862 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.718 9.373 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.398 7.939 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.995 7.226 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.687 8.042 -8.473 1.00 0.00 H new ATOM 136 N ARG A 11 -6.658 11.048 -8.591 1.00 0.00 N ATOM 137 CA ARG A 11 -5.999 12.128 -9.373 1.00 0.00 C ATOM 138 C ARG A 11 -6.261 13.476 -8.649 1.00 0.00 C ATOM 139 O ARG A 11 -5.424 14.385 -8.685 1.00 0.00 O ATOM 140 CB ARG A 11 -6.536 12.154 -10.832 1.00 0.00 C ATOM 141 CG ARG A 11 -5.583 12.792 -11.870 1.00 0.00 C ATOM 142 CD ARG A 11 -6.214 12.900 -13.271 1.00 0.00 C ATOM 143 NE ARG A 11 -6.968 11.673 -13.632 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.957 11.095 -14.850 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.828 11.821 -15.952 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.133 9.788 -14.988 1.00 0.00 N ATOM 0 H ARG A 11 -7.498 10.677 -9.035 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.925 11.950 -9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.753 11.132 -11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.480 12.698 -10.846 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.294 13.786 -11.529 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.671 12.199 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.883 13.760 -13.303 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.432 13.076 -14.009 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.535 11.236 -12.906 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.735 12.835 -15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.822 11.366 -16.865 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.280 9.203 -14.165 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.122 9.367 -15.917 1.00 0.00 H new ATOM 160 N ALA A 12 -7.447 13.596 -8.021 1.00 0.00 N ATOM 161 CA ALA A 12 -7.824 14.792 -7.222 1.00 0.00 C ATOM 162 C ALA A 12 -7.017 14.823 -5.896 1.00 0.00 C ATOM 163 O ALA A 12 -6.762 15.897 -5.337 1.00 0.00 O ATOM 164 CB ALA A 12 -9.345 14.777 -6.968 1.00 0.00 C ATOM 0 H ALA A 12 -8.169 12.876 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.580 15.701 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.625 15.653 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.873 14.794 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.614 13.874 -6.421 1.00 0.00 H new ATOM 170 N PHE A 13 -6.649 13.631 -5.387 1.00 0.00 N ATOM 171 CA PHE A 13 -5.904 13.492 -4.108 1.00 0.00 C ATOM 172 C PHE A 13 -4.514 14.172 -4.239 1.00 0.00 C ATOM 173 O PHE A 13 -4.151 15.030 -3.426 1.00 0.00 O ATOM 174 CB PHE A 13 -5.816 11.984 -3.733 1.00 0.00 C ATOM 175 CG PHE A 13 -5.252 11.692 -2.328 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.189 12.450 -1.822 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.807 10.678 -1.537 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.689 12.198 -0.547 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.305 10.429 -0.262 1.00 0.00 C ATOM 180 CZ PHE A 13 -4.247 11.187 0.232 1.00 0.00 C ATOM 0 H PHE A 13 -6.855 12.741 -5.842 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.425 13.998 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.813 11.549 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.193 11.478 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.754 13.234 -2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.627 10.087 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.869 12.786 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.737 9.647 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.858 10.991 1.220 1.00 0.00 H new ATOM 190 N LEU A 14 -3.741 13.750 -5.258 1.00 0.00 N ATOM 191 CA LEU A 14 -2.351 14.228 -5.479 1.00 0.00 C ATOM 192 C LEU A 14 -2.341 15.090 -6.771 1.00 0.00 C ATOM 193 O LEU A 14 -2.892 14.689 -7.803 1.00 0.00 O ATOM 194 CB LEU A 14 -1.358 13.031 -5.573 1.00 0.00 C ATOM 195 CG LEU A 14 -1.956 11.624 -5.868 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.495 11.537 -7.309 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.944 10.487 -5.616 1.00 0.00 C ATOM 0 H LEU A 14 -4.055 13.071 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.021 14.835 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.630 13.258 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.810 12.973 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.783 11.492 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.906 10.543 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.277 12.283 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.684 11.724 -8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.412 9.528 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.075 10.624 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.629 10.505 -4.573 1.00 0.00 H new ATOM 209 N SER A 15 -1.680 16.261 -6.702 1.00 0.00 N ATOM 210 CA SER A 15 -1.636 17.238 -7.822 1.00 0.00 C ATOM 211 C SER A 15 -0.741 16.687 -8.965 1.00 0.00 C ATOM 212 O SER A 15 -0.483 15.480 -9.040 1.00 0.00 O ATOM 213 CB SER A 15 -1.142 18.604 -7.294 1.00 0.00 C ATOM 214 OG SER A 15 -1.524 18.807 -5.937 1.00 0.00 O ATOM 0 H SER A 15 -1.162 16.561 -5.876 1.00 0.00 H new ATOM 0 HA SER A 15 -2.634 17.386 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.057 18.658 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.551 19.404 -7.912 1.00 0.00 H new ATOM 0 HG SER A 15 -1.196 19.678 -5.632 1.00 0.00 H new ATOM 220 N GLU A 16 -0.301 17.587 -9.864 1.00 0.00 N ATOM 221 CA GLU A 16 0.538 17.221 -11.038 1.00 0.00 C ATOM 222 C GLU A 16 2.007 17.047 -10.563 1.00 0.00 C ATOM 223 O GLU A 16 2.724 16.168 -11.058 1.00 0.00 O ATOM 224 CB GLU A 16 0.370 18.274 -12.170 1.00 0.00 C ATOM 225 CG GLU A 16 1.201 18.044 -13.455 1.00 0.00 C ATOM 226 CD GLU A 16 1.355 19.289 -14.335 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.224 20.418 -13.814 1.00 0.00 O ATOM 228 OE2 GLU A 16 1.611 19.142 -15.551 1.00 0.00 O ATOM 0 H GLU A 16 -0.511 18.583 -9.805 1.00 0.00 H new ATOM 0 HA GLU A 16 0.217 16.272 -11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.683 18.312 -12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.629 19.253 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.192 17.686 -13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.731 17.254 -14.041 1.00 0.00 H new ATOM 235 N GLU A 17 2.428 17.899 -9.602 1.00 0.00 N ATOM 236 CA GLU A 17 3.839 17.925 -9.125 1.00 0.00 C ATOM 237 C GLU A 17 4.159 16.542 -8.492 1.00 0.00 C ATOM 238 O GLU A 17 5.270 16.021 -8.640 1.00 0.00 O ATOM 239 CB GLU A 17 4.092 19.119 -8.159 1.00 0.00 C ATOM 240 CG GLU A 17 4.180 20.523 -8.802 1.00 0.00 C ATOM 241 CD GLU A 17 4.680 21.617 -7.853 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.909 21.842 -7.783 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.847 22.255 -7.172 1.00 0.00 O ATOM 0 H GLU A 17 1.820 18.575 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 17 4.521 18.090 -9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.293 19.133 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.022 18.931 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.844 20.474 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.194 20.803 -9.174 1.00 0.00 H new ATOM 250 N MET A 18 3.167 15.964 -7.789 1.00 0.00 N ATOM 251 CA MET A 18 3.337 14.695 -7.033 1.00 0.00 C ATOM 252 C MET A 18 3.219 13.518 -8.041 1.00 0.00 C ATOM 253 O MET A 18 3.865 12.477 -7.871 1.00 0.00 O ATOM 254 CB MET A 18 2.309 14.582 -5.873 1.00 0.00 C ATOM 255 CG MET A 18 2.122 15.848 -5.016 1.00 0.00 C ATOM 256 SD MET A 18 3.254 15.817 -3.608 1.00 0.00 S ATOM 257 CE MET A 18 4.707 16.629 -4.305 1.00 0.00 C ATOM 0 H MET A 18 2.227 16.356 -7.725 1.00 0.00 H new ATOM 0 HA MET A 18 4.319 14.668 -6.560 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.343 14.306 -6.295 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.616 13.766 -5.219 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.305 16.736 -5.621 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.092 15.909 -4.664 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.311 17.047 -3.500 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.298 15.902 -4.862 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.391 17.429 -4.974 1.00 0.00 H new ATOM 267 N ILE A 19 2.366 13.692 -9.068 1.00 0.00 N ATOM 268 CA ILE A 19 2.114 12.655 -10.105 1.00 0.00 C ATOM 269 C ILE A 19 3.485 12.360 -10.772 1.00 0.00 C ATOM 270 O ILE A 19 3.758 11.220 -11.169 1.00 0.00 O ATOM 271 CB ILE A 19 0.971 13.081 -11.101 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.448 12.649 -10.610 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.213 12.563 -12.544 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.614 13.547 -11.055 1.00 0.00 C ATOM 0 H ILE A 19 1.831 14.549 -9.208 1.00 0.00 H new ATOM 0 HA ILE A 19 1.727 11.733 -9.672 1.00 0.00 H new ATOM 0 HB ILE A 19 1.004 14.170 -11.122 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.640 11.636 -10.962 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.439 12.612 -9.521 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.395 12.886 -13.188 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.153 12.965 -12.922 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.261 11.474 -12.536 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.549 13.153 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.458 14.558 -10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.663 13.567 -12.144 1.00 0.00 H new ATOM 286 N ALA A 20 4.325 13.402 -10.920 1.00 0.00 N ATOM 287 CA ALA A 20 5.638 13.296 -11.612 1.00 0.00 C ATOM 288 C ALA A 20 6.522 12.223 -10.920 1.00 0.00 C ATOM 289 O ALA A 20 7.282 11.507 -11.583 1.00 0.00 O ATOM 290 CB ALA A 20 6.315 14.681 -11.619 1.00 0.00 C ATOM 0 H ALA A 20 4.121 14.338 -10.569 1.00 0.00 H new ATOM 0 HA ALA A 20 5.494 12.978 -12.645 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.278 14.613 -12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.679 15.394 -12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.467 15.017 -10.593 1.00 0.00 H new ATOM 296 N GLU A 21 6.430 12.149 -9.579 1.00 0.00 N ATOM 297 CA GLU A 21 7.268 11.237 -8.757 1.00 0.00 C ATOM 298 C GLU A 21 7.014 9.778 -9.228 1.00 0.00 C ATOM 299 O GLU A 21 7.923 8.941 -9.221 1.00 0.00 O ATOM 300 CB GLU A 21 6.982 11.461 -7.244 1.00 0.00 C ATOM 301 CG GLU A 21 8.020 10.890 -6.249 1.00 0.00 C ATOM 302 CD GLU A 21 9.209 11.818 -5.982 1.00 0.00 C ATOM 303 OE1 GLU A 21 10.165 11.826 -6.789 1.00 0.00 O ATOM 304 OE2 GLU A 21 9.190 12.547 -4.965 1.00 0.00 O ATOM 0 H GLU A 21 5.779 12.713 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 21 8.329 11.448 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.897 12.533 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.011 11.022 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.521 10.676 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.393 9.941 -6.635 1.00 0.00 H new ATOM 311 N PHE A 22 5.755 9.487 -9.606 1.00 0.00 N ATOM 312 CA PHE A 22 5.307 8.119 -9.978 1.00 0.00 C ATOM 313 C PHE A 22 5.607 7.875 -11.483 1.00 0.00 C ATOM 314 O PHE A 22 5.746 6.720 -11.908 1.00 0.00 O ATOM 315 CB PHE A 22 3.796 7.932 -9.644 1.00 0.00 C ATOM 316 CG PHE A 22 3.392 8.309 -8.204 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.815 7.524 -7.124 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.620 9.450 -7.958 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.518 7.906 -5.818 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.326 9.831 -6.651 1.00 0.00 C ATOM 321 CZ PHE A 22 2.791 9.070 -5.582 1.00 0.00 C ATOM 0 H PHE A 22 5.016 10.188 -9.664 1.00 0.00 H new ATOM 0 HA PHE A 22 5.855 7.377 -9.397 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.209 8.533 -10.338 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.528 6.890 -9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.374 6.618 -7.305 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.251 10.038 -8.785 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.851 7.300 -4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.737 10.717 -6.467 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.588 9.383 -4.568 1.00 0.00 H new ATOM 331 N LYS A 23 5.671 8.959 -12.278 1.00 0.00 N ATOM 332 CA LYS A 23 5.909 8.888 -13.746 1.00 0.00 C ATOM 333 C LYS A 23 7.268 8.175 -13.981 1.00 0.00 C ATOM 334 O LYS A 23 7.342 7.183 -14.719 1.00 0.00 O ATOM 335 CB LYS A 23 5.904 10.305 -14.392 1.00 0.00 C ATOM 336 CG LYS A 23 4.551 10.827 -14.932 1.00 0.00 C ATOM 337 CD LYS A 23 4.507 12.342 -15.224 1.00 0.00 C ATOM 338 CE LYS A 23 5.757 12.841 -15.970 1.00 0.00 C ATOM 339 NZ LYS A 23 5.646 12.615 -17.422 1.00 0.00 N ATOM 0 H LYS A 23 5.560 9.911 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 23 5.105 8.325 -14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.270 11.016 -13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.619 10.305 -15.214 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.310 10.288 -15.849 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.772 10.589 -14.208 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.621 12.568 -15.817 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.409 12.886 -14.285 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.897 13.904 -15.776 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.639 12.328 -15.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.505 12.963 -17.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.537 11.598 -17.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.818 13.125 -17.790 1.00 0.00 H new ATOM 353 N ALA A 24 8.342 8.710 -13.371 1.00 0.00 N ATOM 354 CA ALA A 24 9.728 8.215 -13.583 1.00 0.00 C ATOM 355 C ALA A 24 9.800 6.690 -13.299 1.00 0.00 C ATOM 356 O ALA A 24 10.281 5.909 -14.129 1.00 0.00 O ATOM 357 CB ALA A 24 10.691 9.014 -12.683 1.00 0.00 C ATOM 0 H ALA A 24 8.282 9.493 -12.720 1.00 0.00 H new ATOM 0 HA ALA A 24 10.026 8.364 -14.621 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.710 8.657 -12.833 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.636 10.072 -12.940 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.409 8.879 -11.639 1.00 0.00 H new ATOM 363 N ALA A 25 9.341 6.288 -12.099 1.00 0.00 N ATOM 364 CA ALA A 25 9.414 4.879 -11.628 1.00 0.00 C ATOM 365 C ALA A 25 8.494 3.961 -12.480 1.00 0.00 C ATOM 366 O ALA A 25 8.740 2.752 -12.580 1.00 0.00 O ATOM 367 CB ALA A 25 9.038 4.833 -10.133 1.00 0.00 C ATOM 0 H ALA A 25 8.910 6.922 -11.426 1.00 0.00 H new ATOM 0 HA ALA A 25 10.430 4.504 -11.748 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.088 3.804 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.734 5.449 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.025 5.214 -10.001 1.00 0.00 H new ATOM 373 N PHE A 26 7.438 4.546 -13.079 1.00 0.00 N ATOM 374 CA PHE A 26 6.407 3.777 -13.830 1.00 0.00 C ATOM 375 C PHE A 26 7.097 3.109 -15.050 1.00 0.00 C ATOM 376 O PHE A 26 6.750 1.986 -15.435 1.00 0.00 O ATOM 377 CB PHE A 26 5.214 4.683 -14.256 1.00 0.00 C ATOM 378 CG PHE A 26 4.251 4.049 -15.287 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.596 4.002 -16.643 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.015 3.537 -14.877 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.719 3.448 -17.572 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.134 2.996 -15.810 1.00 0.00 C ATOM 383 CZ PHE A 26 2.496 2.931 -17.153 1.00 0.00 C ATOM 0 H PHE A 26 7.270 5.552 -13.061 1.00 0.00 H new ATOM 0 HA PHE A 26 5.979 3.006 -13.189 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.645 4.952 -13.366 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.610 5.609 -14.672 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.546 4.397 -16.970 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.743 3.561 -13.832 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.988 3.419 -18.618 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.170 2.627 -15.492 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.827 2.479 -17.871 1.00 0.00 H new ATOM 393 N ASP A 27 8.073 3.817 -15.649 1.00 0.00 N ATOM 394 CA ASP A 27 8.847 3.308 -16.812 1.00 0.00 C ATOM 395 C ASP A 27 9.723 2.114 -16.342 1.00 0.00 C ATOM 396 O ASP A 27 9.886 1.129 -17.074 1.00 0.00 O ATOM 397 CB ASP A 27 9.683 4.436 -17.485 1.00 0.00 C ATOM 398 CG ASP A 27 8.941 5.303 -18.517 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.250 4.742 -19.395 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.044 6.548 -18.445 1.00 0.00 O ATOM 0 H ASP A 27 8.351 4.751 -15.348 1.00 0.00 H new ATOM 0 HA ASP A 27 8.162 2.956 -17.583 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.071 5.089 -16.703 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.543 3.980 -17.975 1.00 0.00 H new ATOM 405 N MET A 28 10.274 2.221 -15.117 1.00 0.00 N ATOM 406 CA MET A 28 11.167 1.178 -14.540 1.00 0.00 C ATOM 407 C MET A 28 10.351 -0.140 -14.441 1.00 0.00 C ATOM 408 O MET A 28 10.885 -1.232 -14.669 1.00 0.00 O ATOM 409 CB MET A 28 11.753 1.609 -13.165 1.00 0.00 C ATOM 410 CG MET A 28 12.997 0.834 -12.693 1.00 0.00 C ATOM 411 SD MET A 28 13.283 1.133 -10.934 1.00 0.00 S ATOM 412 CE MET A 28 12.653 2.815 -10.754 1.00 0.00 C ATOM 0 H MET A 28 10.120 3.019 -14.501 1.00 0.00 H new ATOM 0 HA MET A 28 12.031 1.029 -15.187 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.006 2.668 -13.215 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.974 1.503 -12.410 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.860 -0.233 -12.871 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.869 1.144 -13.269 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.997 3.233 -9.808 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.018 3.430 -11.577 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.563 2.799 -10.769 1.00 0.00 H new ATOM 422 N PHE A 29 9.056 -0.018 -14.091 1.00 0.00 N ATOM 423 CA PHE A 29 8.159 -1.186 -13.885 1.00 0.00 C ATOM 424 C PHE A 29 7.865 -1.830 -15.268 1.00 0.00 C ATOM 425 O PHE A 29 7.704 -3.051 -15.375 1.00 0.00 O ATOM 426 CB PHE A 29 6.855 -0.759 -13.149 1.00 0.00 C ATOM 427 CG PHE A 29 6.192 -1.856 -12.292 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.218 -3.193 -12.707 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.546 -1.523 -11.095 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.584 -4.176 -11.951 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.913 -2.509 -10.342 1.00 0.00 C ATOM 432 CZ PHE A 29 4.925 -3.832 -10.774 1.00 0.00 C ATOM 0 H PHE A 29 8.599 0.882 -13.943 1.00 0.00 H new ATOM 0 HA PHE A 29 8.644 -1.925 -13.248 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.082 0.093 -12.507 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.134 -0.416 -13.891 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.732 -3.463 -13.618 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.539 -0.498 -10.755 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.604 -5.205 -12.278 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.412 -2.247 -9.422 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.422 -4.593 -10.195 1.00 0.00 H new ATOM 442 N ASP A 30 7.800 -0.988 -16.317 1.00 0.00 N ATOM 443 CA ASP A 30 7.505 -1.439 -17.703 1.00 0.00 C ATOM 444 C ASP A 30 8.753 -2.175 -18.263 1.00 0.00 C ATOM 445 O ASP A 30 9.624 -2.611 -17.499 1.00 0.00 O ATOM 446 CB ASP A 30 7.049 -0.258 -18.607 1.00 0.00 C ATOM 447 CG ASP A 30 6.047 -0.607 -19.721 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.314 -1.611 -19.584 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.997 0.119 -20.739 1.00 0.00 O ATOM 0 H ASP A 30 7.948 0.018 -16.236 1.00 0.00 H new ATOM 0 HA ASP A 30 6.667 -2.135 -17.692 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.603 0.508 -17.972 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.933 0.184 -19.067 1.00 0.00 H new ATOM 454 N ALA A 31 8.833 -2.286 -19.602 1.00 0.00 N ATOM 455 CA ALA A 31 9.961 -2.964 -20.294 1.00 0.00 C ATOM 456 C ALA A 31 10.130 -2.397 -21.732 1.00 0.00 C ATOM 457 O ALA A 31 11.255 -2.124 -22.169 1.00 0.00 O ATOM 458 CB ALA A 31 9.705 -4.484 -20.304 1.00 0.00 C ATOM 0 H ALA A 31 8.127 -1.914 -20.237 1.00 0.00 H new ATOM 0 HA ALA A 31 10.893 -2.775 -19.762 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.528 -4.988 -20.810 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.632 -4.847 -19.279 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.773 -4.693 -20.830 1.00 0.00 H new ATOM 464 N ASP A 32 8.995 -2.230 -22.443 1.00 0.00 N ATOM 465 CA ASP A 32 8.998 -1.797 -23.869 1.00 0.00 C ATOM 466 C ASP A 32 9.298 -0.274 -23.919 1.00 0.00 C ATOM 467 O ASP A 32 10.408 0.141 -24.275 1.00 0.00 O ATOM 468 CB ASP A 32 7.678 -2.170 -24.607 1.00 0.00 C ATOM 469 CG ASP A 32 6.417 -2.260 -23.731 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.247 -3.271 -23.015 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.597 -1.315 -23.753 1.00 0.00 O ATOM 0 H ASP A 32 8.063 -2.387 -22.060 1.00 0.00 H new ATOM 0 HA ASP A 32 9.780 -2.334 -24.406 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.501 -1.431 -25.389 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.821 -3.130 -25.102 1.00 0.00 H new ATOM 476 N GLY A 33 8.296 0.548 -23.552 1.00 0.00 N ATOM 477 CA GLY A 33 8.424 2.030 -23.562 1.00 0.00 C ATOM 478 C GLY A 33 7.622 2.682 -22.405 1.00 0.00 C ATOM 479 O GLY A 33 8.051 2.668 -21.245 1.00 0.00 O ATOM 0 H GLY A 33 7.383 0.215 -23.243 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.475 2.305 -23.477 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.069 2.420 -24.516 1.00 0.00 H new ATOM 483 N GLY A 34 6.463 3.281 -22.744 1.00 0.00 N ATOM 484 CA GLY A 34 5.583 3.947 -21.750 1.00 0.00 C ATOM 485 C GLY A 34 4.140 4.051 -22.303 1.00 0.00 C ATOM 486 O GLY A 34 3.930 4.321 -23.491 1.00 0.00 O ATOM 0 H GLY A 34 6.110 3.320 -23.700 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.584 3.384 -20.817 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.966 4.942 -21.522 1.00 0.00 H new ATOM 490 N GLY A 35 3.146 3.802 -21.426 1.00 0.00 N ATOM 491 CA GLY A 35 1.711 3.851 -21.801 1.00 0.00 C ATOM 492 C GLY A 35 0.877 2.948 -20.855 1.00 0.00 C ATOM 493 O GLY A 35 -0.103 3.402 -20.250 1.00 0.00 O ATOM 0 H GLY A 35 3.308 3.564 -20.448 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.349 4.878 -21.748 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.586 3.522 -22.833 1.00 0.00 H new ATOM 497 N ASP A 36 1.297 1.676 -20.724 1.00 0.00 N ATOM 498 CA ASP A 36 0.594 0.663 -19.894 1.00 0.00 C ATOM 499 C ASP A 36 1.536 -0.553 -19.687 1.00 0.00 C ATOM 500 O ASP A 36 2.453 -0.786 -20.484 1.00 0.00 O ATOM 501 CB ASP A 36 -0.776 0.262 -20.516 1.00 0.00 C ATOM 502 CG ASP A 36 -0.798 0.081 -22.044 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.251 -0.269 -22.628 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.867 0.284 -22.661 1.00 0.00 O ATOM 0 H ASP A 36 2.131 1.316 -21.187 1.00 0.00 H new ATOM 0 HA ASP A 36 0.357 1.088 -18.919 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.102 -0.670 -20.055 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.510 1.023 -20.250 1.00 0.00 H new ATOM 509 N ILE A 37 1.316 -1.306 -18.591 1.00 0.00 N ATOM 510 CA ILE A 37 2.129 -2.493 -18.216 1.00 0.00 C ATOM 511 C ILE A 37 1.360 -3.784 -18.613 1.00 0.00 C ATOM 512 O ILE A 37 0.400 -3.732 -19.392 1.00 0.00 O ATOM 513 CB ILE A 37 2.589 -2.501 -16.710 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.297 -1.190 -15.914 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.074 -2.928 -16.582 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.371 -0.769 -14.898 1.00 0.00 C ATOM 0 H ILE A 37 0.563 -1.110 -17.931 1.00 0.00 H new ATOM 0 HA ILE A 37 3.063 -2.446 -18.775 1.00 0.00 H new ATOM 0 HB ILE A 37 1.959 -3.250 -16.231 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.161 -0.377 -16.627 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.352 -1.312 -15.385 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.364 -2.925 -15.531 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.201 -3.931 -16.990 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.702 -2.229 -17.134 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.064 0.153 -14.405 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.495 -1.555 -14.153 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.317 -0.606 -15.415 1.00 0.00 H new ATOM 528 N SER A 38 1.774 -4.934 -18.047 1.00 0.00 N ATOM 529 CA SER A 38 1.074 -6.231 -18.242 1.00 0.00 C ATOM 530 C SER A 38 1.411 -7.192 -17.070 1.00 0.00 C ATOM 531 O SER A 38 1.909 -6.761 -16.023 1.00 0.00 O ATOM 532 CB SER A 38 1.458 -6.822 -19.618 1.00 0.00 C ATOM 533 OG SER A 38 2.656 -7.588 -19.540 1.00 0.00 O ATOM 0 H SER A 38 2.595 -4.997 -17.446 1.00 0.00 H new ATOM 0 HA SER A 38 -0.006 -6.082 -18.237 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.646 -7.450 -19.985 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.587 -6.015 -20.339 1.00 0.00 H new ATOM 0 HG SER A 38 2.786 -8.078 -20.379 1.00 0.00 H new ATOM 539 N THR A 39 1.158 -8.498 -17.281 1.00 0.00 N ATOM 540 CA THR A 39 1.417 -9.558 -16.271 1.00 0.00 C ATOM 541 C THR A 39 2.909 -9.980 -16.360 1.00 0.00 C ATOM 542 O THR A 39 3.658 -9.867 -15.380 1.00 0.00 O ATOM 543 CB THR A 39 0.440 -10.767 -16.426 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.140 -10.782 -17.728 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.704 -10.823 -15.396 1.00 0.00 C ATOM 0 H THR A 39 0.769 -8.854 -18.154 1.00 0.00 H new ATOM 0 HA THR A 39 1.225 -9.161 -15.274 1.00 0.00 H new ATOM 0 HB THR A 39 1.069 -11.640 -16.251 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.747 -11.547 -17.807 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.325 -11.698 -15.589 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.286 -10.889 -14.391 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.311 -9.922 -15.478 1.00 0.00 H new ATOM 553 N LYS A 40 3.329 -10.468 -17.542 1.00 0.00 N ATOM 554 CA LYS A 40 4.727 -10.918 -17.782 1.00 0.00 C ATOM 555 C LYS A 40 5.690 -9.744 -17.457 1.00 0.00 C ATOM 556 O LYS A 40 6.754 -9.947 -16.858 1.00 0.00 O ATOM 557 CB LYS A 40 4.853 -11.448 -19.240 1.00 0.00 C ATOM 558 CG LYS A 40 6.275 -11.835 -19.719 1.00 0.00 C ATOM 559 CD LYS A 40 6.564 -13.310 -20.089 1.00 0.00 C ATOM 560 CE LYS A 40 5.358 -14.161 -20.541 1.00 0.00 C ATOM 561 NZ LYS A 40 4.986 -13.962 -21.954 1.00 0.00 N ATOM 0 H LYS A 40 2.721 -10.564 -18.355 1.00 0.00 H new ATOM 0 HA LYS A 40 5.002 -11.746 -17.129 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.210 -12.322 -19.341 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.462 -10.686 -19.914 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.506 -11.225 -20.592 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.976 -11.548 -18.935 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.306 -13.321 -20.887 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.018 -13.795 -19.225 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.588 -15.214 -20.380 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.500 -13.922 -19.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.170 -14.564 -22.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.736 -12.965 -22.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.789 -14.217 -22.564 1.00 0.00 H new ATOM 575 N GLU A 41 5.303 -8.521 -17.865 1.00 0.00 N ATOM 576 CA GLU A 41 6.157 -7.311 -17.735 1.00 0.00 C ATOM 577 C GLU A 41 6.326 -6.964 -16.231 1.00 0.00 C ATOM 578 O GLU A 41 7.416 -6.575 -15.792 1.00 0.00 O ATOM 579 CB GLU A 41 5.581 -6.125 -18.563 1.00 0.00 C ATOM 580 CG GLU A 41 5.186 -6.399 -20.035 1.00 0.00 C ATOM 581 CD GLU A 41 4.364 -5.280 -20.683 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.725 -4.495 -19.948 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.357 -5.180 -21.930 1.00 0.00 O ATOM 0 H GLU A 41 4.395 -8.337 -18.293 1.00 0.00 H new ATOM 0 HA GLU A 41 7.145 -7.514 -18.148 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.699 -5.750 -18.043 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.319 -5.323 -18.558 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.093 -6.554 -20.620 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.615 -7.327 -20.080 1.00 0.00 H new ATOM 590 N LEU A 42 5.228 -7.081 -15.461 1.00 0.00 N ATOM 591 CA LEU A 42 5.193 -6.681 -14.029 1.00 0.00 C ATOM 592 C LEU A 42 6.215 -7.557 -13.257 1.00 0.00 C ATOM 593 O LEU A 42 6.990 -7.053 -12.434 1.00 0.00 O ATOM 594 CB LEU A 42 3.754 -6.821 -13.448 1.00 0.00 C ATOM 595 CG LEU A 42 3.619 -7.324 -11.981 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.627 -6.480 -11.155 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.209 -8.810 -11.935 1.00 0.00 C ATOM 0 H LEU A 42 4.342 -7.452 -15.805 1.00 0.00 H new ATOM 0 HA LEU A 42 5.467 -5.631 -13.924 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.267 -5.848 -13.517 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.196 -7.503 -14.090 1.00 0.00 H new ATOM 0 HG LEU A 42 4.605 -7.212 -11.529 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.571 -6.874 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.968 -5.445 -11.124 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.640 -6.524 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.123 -9.132 -10.897 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.249 -8.938 -12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.965 -9.412 -12.440 1.00 0.00 H new ATOM 609 N GLY A 43 6.183 -8.879 -13.512 1.00 0.00 N ATOM 610 CA GLY A 43 7.013 -9.866 -12.777 1.00 0.00 C ATOM 611 C GLY A 43 8.519 -9.513 -12.895 1.00 0.00 C ATOM 612 O GLY A 43 9.306 -9.798 -11.982 1.00 0.00 O ATOM 0 H GLY A 43 5.587 -9.296 -14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.720 -9.885 -11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.836 -10.865 -13.175 1.00 0.00 H new ATOM 616 N THR A 44 8.904 -8.913 -14.036 1.00 0.00 N ATOM 617 CA THR A 44 10.323 -8.609 -14.357 1.00 0.00 C ATOM 618 C THR A 44 10.946 -7.815 -13.176 1.00 0.00 C ATOM 619 O THR A 44 11.925 -8.256 -12.562 1.00 0.00 O ATOM 620 CB THR A 44 10.470 -7.869 -15.724 1.00 0.00 C ATOM 621 OG1 THR A 44 10.347 -8.786 -16.808 1.00 0.00 O ATOM 622 CG2 THR A 44 11.784 -7.087 -15.909 1.00 0.00 C ATOM 0 H THR A 44 8.249 -8.624 -14.762 1.00 0.00 H new ATOM 0 HA THR A 44 10.873 -9.543 -14.477 1.00 0.00 H new ATOM 0 HB THR A 44 9.662 -7.137 -15.718 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.440 -8.304 -17.656 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.788 -6.610 -16.889 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.866 -6.325 -15.134 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.629 -7.772 -15.835 1.00 0.00 H new ATOM 630 N VAL A 45 10.369 -6.633 -12.884 1.00 0.00 N ATOM 631 CA VAL A 45 10.898 -5.690 -11.863 1.00 0.00 C ATOM 632 C VAL A 45 10.879 -6.423 -10.494 1.00 0.00 C ATOM 633 O VAL A 45 11.795 -6.255 -9.678 1.00 0.00 O ATOM 634 CB VAL A 45 10.119 -4.326 -11.862 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.610 -3.926 -10.457 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.924 -3.135 -12.439 1.00 0.00 C ATOM 0 H VAL A 45 9.523 -6.299 -13.346 1.00 0.00 H new ATOM 0 HA VAL A 45 11.925 -5.407 -12.095 1.00 0.00 H new ATOM 0 HB VAL A 45 9.273 -4.522 -12.521 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.080 -2.976 -10.519 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.934 -4.695 -10.082 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.457 -3.825 -9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.315 -2.232 -12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.828 -2.987 -11.849 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.196 -3.347 -13.473 1.00 0.00 H new ATOM 646 N MET A 46 9.815 -7.208 -10.244 1.00 0.00 N ATOM 647 CA MET A 46 9.592 -7.888 -8.940 1.00 0.00 C ATOM 648 C MET A 46 10.890 -8.660 -8.574 1.00 0.00 C ATOM 649 O MET A 46 11.244 -8.774 -7.395 1.00 0.00 O ATOM 650 CB MET A 46 8.348 -8.819 -8.990 1.00 0.00 C ATOM 651 CG MET A 46 6.981 -8.118 -8.867 1.00 0.00 C ATOM 652 SD MET A 46 5.782 -9.230 -8.098 1.00 0.00 S ATOM 653 CE MET A 46 4.450 -8.083 -7.687 1.00 0.00 C ATOM 0 H MET A 46 9.085 -7.393 -10.932 1.00 0.00 H new ATOM 0 HA MET A 46 9.379 -7.152 -8.164 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.369 -9.372 -9.929 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.433 -9.551 -8.187 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.081 -7.210 -8.272 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.628 -7.816 -9.853 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.125 -8.255 -6.661 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.808 -7.058 -7.787 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.611 -8.242 -8.365 1.00 0.00 H new ATOM 663 N ARG A 47 11.568 -9.208 -9.599 1.00 0.00 N ATOM 664 CA ARG A 47 12.784 -10.046 -9.418 1.00 0.00 C ATOM 665 C ARG A 47 13.789 -9.286 -8.510 1.00 0.00 C ATOM 666 O ARG A 47 13.997 -9.658 -7.349 1.00 0.00 O ATOM 667 CB ARG A 47 13.417 -10.393 -10.794 1.00 0.00 C ATOM 668 CG ARG A 47 14.121 -11.769 -10.857 1.00 0.00 C ATOM 669 CD ARG A 47 15.072 -11.910 -12.061 1.00 0.00 C ATOM 670 NE ARG A 47 14.383 -12.458 -13.258 1.00 0.00 N ATOM 671 CZ ARG A 47 13.902 -13.714 -13.366 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.986 -14.631 -12.404 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.311 -14.056 -14.496 1.00 0.00 N ATOM 0 H ARG A 47 11.296 -9.088 -10.575 1.00 0.00 H new ATOM 0 HA ARG A 47 12.515 -10.987 -8.938 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.636 -10.365 -11.554 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.140 -9.619 -11.051 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.685 -11.924 -9.937 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.366 -12.554 -10.904 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.497 -10.936 -12.302 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.903 -12.562 -11.791 1.00 0.00 H new ATOM 0 HE ARG A 47 14.265 -11.838 -14.059 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.436 -14.401 -11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.600 -15.563 -12.553 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.229 -13.379 -15.254 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.936 -14.998 -14.611 1.00 0.00 H new ATOM 687 N MET A 48 14.425 -8.239 -9.074 1.00 0.00 N ATOM 688 CA MET A 48 15.495 -7.474 -8.384 1.00 0.00 C ATOM 689 C MET A 48 14.965 -7.061 -6.983 1.00 0.00 C ATOM 690 O MET A 48 15.742 -6.957 -6.024 1.00 0.00 O ATOM 691 CB MET A 48 15.955 -6.244 -9.221 1.00 0.00 C ATOM 692 CG MET A 48 16.089 -6.444 -10.745 1.00 0.00 C ATOM 693 SD MET A 48 14.614 -5.837 -11.591 1.00 0.00 S ATOM 694 CE MET A 48 14.697 -4.072 -11.226 1.00 0.00 C ATOM 0 H MET A 48 14.217 -7.899 -10.013 1.00 0.00 H new ATOM 0 HA MET A 48 16.381 -8.099 -8.268 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.249 -5.432 -9.047 1.00 0.00 H new ATOM 0 HB3 MET A 48 16.920 -5.914 -8.836 1.00 0.00 H new ATOM 0 HG2 MET A 48 16.969 -5.916 -11.112 1.00 0.00 H new ATOM 0 HG3 MET A 48 16.235 -7.501 -10.968 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.272 -3.508 -12.057 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.132 -3.861 -10.318 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.737 -3.779 -11.083 1.00 0.00 H new ATOM 704 N LEU A 49 13.649 -6.797 -6.888 1.00 0.00 N ATOM 705 CA LEU A 49 12.996 -6.330 -5.636 1.00 0.00 C ATOM 706 C LEU A 49 13.446 -7.262 -4.478 1.00 0.00 C ATOM 707 O LEU A 49 14.124 -6.831 -3.538 1.00 0.00 O ATOM 708 CB LEU A 49 11.446 -6.309 -5.793 1.00 0.00 C ATOM 709 CG LEU A 49 10.649 -5.310 -4.903 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.795 -3.864 -5.418 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.155 -5.679 -4.792 1.00 0.00 C ATOM 0 H LEU A 49 13.003 -6.899 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 49 13.298 -5.307 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.216 -6.089 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.073 -7.313 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 49 11.082 -5.378 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.227 -3.190 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.847 -3.578 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.414 -3.801 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.646 -4.950 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.705 -5.676 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.057 -6.671 -4.352 1.00 0.00 H new ATOM 723 N GLY A 50 13.082 -8.556 -4.578 1.00 0.00 N ATOM 724 CA GLY A 50 13.522 -9.591 -3.608 1.00 0.00 C ATOM 725 C GLY A 50 12.643 -10.861 -3.740 1.00 0.00 C ATOM 726 O GLY A 50 13.109 -11.980 -3.486 1.00 0.00 O ATOM 0 H GLY A 50 12.483 -8.915 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.567 -9.844 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.456 -9.199 -2.593 1.00 0.00 H new ATOM 730 N GLN A 51 11.364 -10.666 -4.113 1.00 0.00 N ATOM 731 CA GLN A 51 10.406 -11.774 -4.367 1.00 0.00 C ATOM 732 C GLN A 51 10.684 -12.343 -5.785 1.00 0.00 C ATOM 733 O GLN A 51 11.397 -11.726 -6.584 1.00 0.00 O ATOM 734 CB GLN A 51 8.943 -11.271 -4.202 1.00 0.00 C ATOM 735 CG GLN A 51 7.889 -12.344 -3.831 1.00 0.00 C ATOM 736 CD GLN A 51 8.049 -12.933 -2.419 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.013 -12.642 -1.711 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.116 -13.764 -1.978 1.00 0.00 N ATOM 0 H GLN A 51 10.960 -9.739 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 51 10.539 -12.576 -3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.931 -10.499 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.636 -10.797 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.895 -11.904 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.943 -13.155 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.321 -13.999 -2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.193 -14.168 -1.045 1.00 0.00 H new ATOM 747 N ASN A 52 10.089 -13.512 -6.088 1.00 0.00 N ATOM 748 CA ASN A 52 10.164 -14.135 -7.436 1.00 0.00 C ATOM 749 C ASN A 52 8.913 -15.054 -7.686 1.00 0.00 C ATOM 750 O ASN A 52 8.946 -16.211 -7.251 1.00 0.00 O ATOM 751 CB ASN A 52 11.503 -14.915 -7.552 1.00 0.00 C ATOM 752 CG ASN A 52 11.990 -15.157 -8.997 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.267 -14.914 -9.963 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.210 -15.643 -9.174 1.00 0.00 N ATOM 0 H ASN A 52 9.545 -14.053 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 52 10.146 -13.368 -8.210 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.274 -14.367 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.390 -15.879 -7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.557 -15.819 -10.117 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.802 -15.841 -8.367 1.00 0.00 H new ATOM 761 N PRO A 53 7.793 -14.592 -8.324 1.00 0.00 N ATOM 762 CA PRO A 53 6.568 -15.408 -8.518 1.00 0.00 C ATOM 763 C PRO A 53 6.709 -16.406 -9.699 1.00 0.00 C ATOM 764 O PRO A 53 7.778 -16.518 -10.312 1.00 0.00 O ATOM 765 CB PRO A 53 5.492 -14.323 -8.735 1.00 0.00 C ATOM 766 CG PRO A 53 6.224 -13.143 -9.381 1.00 0.00 C ATOM 767 CD PRO A 53 7.631 -13.193 -8.788 1.00 0.00 C ATOM 0 HA PRO A 53 6.331 -16.068 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.691 -14.688 -9.378 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.034 -14.031 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.248 -13.237 -10.467 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.731 -12.198 -9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.384 -12.933 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.739 -12.487 -7.964 1.00 0.00 H new ATOM 775 N THR A 54 5.623 -17.149 -9.988 1.00 0.00 N ATOM 776 CA THR A 54 5.585 -18.150 -11.088 1.00 0.00 C ATOM 777 C THR A 54 4.714 -17.589 -12.246 1.00 0.00 C ATOM 778 O THR A 54 4.083 -16.533 -12.114 1.00 0.00 O ATOM 779 CB THR A 54 5.098 -19.548 -10.591 1.00 0.00 C ATOM 780 OG1 THR A 54 6.036 -20.562 -10.943 1.00 0.00 O ATOM 781 CG2 THR A 54 3.713 -19.982 -11.107 1.00 0.00 C ATOM 0 H THR A 54 4.747 -17.078 -9.471 1.00 0.00 H new ATOM 0 HA THR A 54 6.596 -18.315 -11.461 1.00 0.00 H new ATOM 0 HB THR A 54 5.013 -19.431 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.715 -21.430 -10.622 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.467 -20.965 -10.705 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.962 -19.260 -10.785 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.729 -20.029 -12.196 1.00 0.00 H new ATOM 789 N LYS A 55 4.680 -18.323 -13.374 1.00 0.00 N ATOM 790 CA LYS A 55 3.972 -17.889 -14.608 1.00 0.00 C ATOM 791 C LYS A 55 2.475 -17.675 -14.252 1.00 0.00 C ATOM 792 O LYS A 55 1.944 -16.568 -14.392 1.00 0.00 O ATOM 793 CB LYS A 55 4.176 -18.934 -15.746 1.00 0.00 C ATOM 794 CG LYS A 55 4.771 -18.419 -17.080 1.00 0.00 C ATOM 795 CD LYS A 55 5.910 -19.283 -17.668 1.00 0.00 C ATOM 796 CE LYS A 55 6.983 -19.716 -16.650 1.00 0.00 C ATOM 797 NZ LYS A 55 8.247 -20.146 -17.280 1.00 0.00 N ATOM 0 H LYS A 55 5.138 -19.230 -13.463 1.00 0.00 H new ATOM 0 HA LYS A 55 4.378 -16.949 -14.982 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.826 -19.723 -15.368 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.211 -19.392 -15.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.969 -18.353 -17.816 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.146 -17.407 -16.926 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.475 -20.175 -18.118 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.394 -18.725 -18.470 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.187 -18.887 -15.973 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.591 -20.533 -16.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.926 -20.424 -16.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.065 -20.956 -17.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.642 -19.361 -17.836 1.00 0.00 H new ATOM 811 N GLU A 56 1.812 -18.753 -13.794 1.00 0.00 N ATOM 812 CA GLU A 56 0.353 -18.752 -13.510 1.00 0.00 C ATOM 813 C GLU A 56 0.099 -17.882 -12.249 1.00 0.00 C ATOM 814 O GLU A 56 -0.928 -17.201 -12.148 1.00 0.00 O ATOM 815 CB GLU A 56 -0.174 -20.211 -13.377 1.00 0.00 C ATOM 816 CG GLU A 56 -0.435 -20.974 -14.698 1.00 0.00 C ATOM 817 CD GLU A 56 -0.162 -22.479 -14.617 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.256 -23.053 -13.509 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.145 -23.095 -15.661 1.00 0.00 O ATOM 0 H GLU A 56 2.264 -19.648 -13.609 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.207 -18.311 -14.335 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.546 -20.782 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.103 -20.188 -12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.472 -20.820 -14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.188 -20.544 -15.482 1.00 0.00 H new ATOM 826 N GLU A 57 1.036 -17.942 -11.283 1.00 0.00 N ATOM 827 CA GLU A 57 0.889 -17.256 -9.971 1.00 0.00 C ATOM 828 C GLU A 57 0.698 -15.735 -10.216 1.00 0.00 C ATOM 829 O GLU A 57 -0.023 -15.061 -9.470 1.00 0.00 O ATOM 830 CB GLU A 57 2.090 -17.565 -9.030 1.00 0.00 C ATOM 831 CG GLU A 57 1.982 -18.805 -8.107 1.00 0.00 C ATOM 832 CD GLU A 57 1.838 -18.470 -6.619 1.00 0.00 C ATOM 833 OE1 GLU A 57 2.568 -17.582 -6.125 1.00 0.00 O ATOM 834 OE2 GLU A 57 0.992 -19.091 -5.938 1.00 0.00 O ATOM 0 H GLU A 57 1.909 -18.460 -11.381 1.00 0.00 H new ATOM 0 HA GLU A 57 0.006 -17.634 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.979 -17.684 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.256 -16.691 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.125 -19.402 -8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.868 -19.424 -8.244 1.00 0.00 H new ATOM 841 N LEU A 58 1.376 -15.205 -11.250 1.00 0.00 N ATOM 842 CA LEU A 58 1.373 -13.751 -11.564 1.00 0.00 C ATOM 843 C LEU A 58 -0.085 -13.306 -11.864 1.00 0.00 C ATOM 844 O LEU A 58 -0.504 -12.212 -11.468 1.00 0.00 O ATOM 845 CB LEU A 58 2.364 -13.492 -12.735 1.00 0.00 C ATOM 846 CG LEU A 58 3.775 -12.960 -12.352 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.518 -12.446 -13.601 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.732 -11.852 -11.277 1.00 0.00 C ATOM 0 H LEU A 58 1.940 -15.762 -11.892 1.00 0.00 H new ATOM 0 HA LEU A 58 1.716 -13.150 -10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.490 -14.424 -13.286 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.905 -12.777 -13.418 1.00 0.00 H new ATOM 0 HG LEU A 58 4.314 -13.804 -11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.503 -12.078 -13.313 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.630 -13.259 -14.318 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.947 -11.637 -14.056 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.747 -11.523 -11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.150 -11.008 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.269 -12.242 -10.371 1.00 0.00 H new ATOM 860 N ASP A 59 -0.847 -14.184 -12.542 1.00 0.00 N ATOM 861 CA ASP A 59 -2.237 -13.889 -12.980 1.00 0.00 C ATOM 862 C ASP A 59 -3.062 -13.431 -11.746 1.00 0.00 C ATOM 863 O ASP A 59 -3.976 -12.607 -11.869 1.00 0.00 O ATOM 864 CB ASP A 59 -2.878 -15.103 -13.712 1.00 0.00 C ATOM 865 CG ASP A 59 -4.348 -14.939 -14.134 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.607 -14.416 -15.240 1.00 0.00 O ATOM 867 OD2 ASP A 59 -5.247 -15.327 -13.355 1.00 0.00 O ATOM 0 H ASP A 59 -0.525 -15.116 -12.804 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.227 -13.081 -13.711 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.287 -15.318 -14.603 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.803 -15.975 -13.062 1.00 0.00 H new ATOM 872 N ALA A 60 -2.744 -14.001 -10.568 1.00 0.00 N ATOM 873 CA ALA A 60 -3.490 -13.732 -9.310 1.00 0.00 C ATOM 874 C ALA A 60 -3.115 -12.328 -8.758 1.00 0.00 C ATOM 875 O ALA A 60 -3.976 -11.601 -8.248 1.00 0.00 O ATOM 876 CB ALA A 60 -3.185 -14.849 -8.294 1.00 0.00 C ATOM 0 H ALA A 60 -1.971 -14.656 -10.455 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.563 -13.729 -9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.729 -14.658 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.495 -15.810 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.115 -14.871 -8.088 1.00 0.00 H new ATOM 882 N ILE A 61 -1.817 -11.984 -8.845 1.00 0.00 N ATOM 883 CA ILE A 61 -1.295 -10.657 -8.420 1.00 0.00 C ATOM 884 C ILE A 61 -2.189 -9.595 -9.119 1.00 0.00 C ATOM 885 O ILE A 61 -2.547 -8.578 -8.513 1.00 0.00 O ATOM 886 CB ILE A 61 0.248 -10.513 -8.703 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.121 -10.771 -7.434 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.613 -9.139 -9.328 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.075 -9.633 -7.034 1.00 0.00 C ATOM 0 H ILE A 61 -1.098 -12.609 -9.209 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.358 -10.519 -7.341 1.00 0.00 H new ATOM 0 HB ILE A 61 0.477 -11.290 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.456 -10.974 -6.594 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.711 -11.673 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.688 -9.093 -9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.086 -9.018 -10.275 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.322 -8.340 -8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.630 -9.921 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.773 -9.440 -7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.499 -8.731 -6.828 1.00 0.00 H new ATOM 901 N ILE A 62 -2.538 -9.848 -10.394 1.00 0.00 N ATOM 902 CA ILE A 62 -3.295 -8.895 -11.249 1.00 0.00 C ATOM 903 C ILE A 62 -4.787 -9.002 -10.831 1.00 0.00 C ATOM 904 O ILE A 62 -5.541 -8.028 -10.964 1.00 0.00 O ATOM 905 CB ILE A 62 -3.019 -9.137 -12.781 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.535 -8.851 -13.178 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.979 -8.329 -13.696 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.328 -8.132 -14.521 1.00 0.00 C ATOM 0 H ILE A 62 -2.305 -10.720 -10.868 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.966 -7.867 -11.096 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.213 -10.198 -12.941 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.078 -8.250 -12.392 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.998 -9.799 -13.208 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.744 -8.534 -14.741 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.009 -8.622 -13.492 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.859 -7.264 -13.499 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.262 -7.985 -14.695 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.747 -8.736 -15.326 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.828 -7.164 -14.496 1.00 0.00 H new ATOM 920 N GLU A 63 -5.210 -10.189 -10.359 1.00 0.00 N ATOM 921 CA GLU A 63 -6.609 -10.451 -9.919 1.00 0.00 C ATOM 922 C GLU A 63 -7.103 -9.251 -9.064 1.00 0.00 C ATOM 923 O GLU A 63 -7.969 -8.482 -9.500 1.00 0.00 O ATOM 924 CB GLU A 63 -6.699 -11.815 -9.175 1.00 0.00 C ATOM 925 CG GLU A 63 -8.103 -12.455 -9.068 1.00 0.00 C ATOM 926 CD GLU A 63 -8.088 -13.977 -8.891 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.175 -14.640 -9.431 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.986 -14.515 -8.207 1.00 0.00 O ATOM 0 H GLU A 63 -4.597 -11.000 -10.269 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.271 -10.535 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.040 -12.522 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.309 -11.679 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.631 -12.008 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.671 -12.210 -9.966 1.00 0.00 H new ATOM 935 N GLU A 64 -6.563 -9.126 -7.837 1.00 0.00 N ATOM 936 CA GLU A 64 -7.008 -8.100 -6.856 1.00 0.00 C ATOM 937 C GLU A 64 -6.249 -6.777 -7.149 1.00 0.00 C ATOM 938 O GLU A 64 -5.289 -6.432 -6.450 1.00 0.00 O ATOM 939 CB GLU A 64 -6.812 -8.621 -5.403 1.00 0.00 C ATOM 940 CG GLU A 64 -6.688 -7.547 -4.296 1.00 0.00 C ATOM 941 CD GLU A 64 -7.498 -7.851 -3.032 1.00 0.00 C ATOM 942 OE1 GLU A 64 -8.500 -8.596 -3.119 1.00 0.00 O ATOM 943 OE2 GLU A 64 -7.139 -7.343 -1.946 1.00 0.00 O ATOM 0 H GLU A 64 -5.812 -9.724 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.075 -7.898 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.653 -9.270 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.915 -9.240 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.638 -7.441 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.011 -6.587 -4.699 1.00 0.00 H new ATOM 950 N VAL A 65 -6.716 -6.035 -8.171 1.00 0.00 N ATOM 951 CA VAL A 65 -6.116 -4.736 -8.579 1.00 0.00 C ATOM 952 C VAL A 65 -6.794 -4.308 -9.909 1.00 0.00 C ATOM 953 O VAL A 65 -7.045 -3.116 -10.135 1.00 0.00 O ATOM 954 CB VAL A 65 -4.550 -4.813 -8.665 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.814 -4.264 -7.417 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.031 -6.245 -8.940 1.00 0.00 C ATOM 0 H VAL A 65 -7.516 -6.312 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.302 -3.971 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.318 -4.166 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.737 -4.355 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.074 -3.215 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.113 -4.835 -6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.942 -6.234 -8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.352 -6.909 -8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.433 -6.602 -9.888 1.00 0.00 H new ATOM 966 N ASP A 66 -7.083 -5.288 -10.786 1.00 0.00 N ATOM 967 CA ASP A 66 -7.727 -5.041 -12.104 1.00 0.00 C ATOM 968 C ASP A 66 -9.226 -5.435 -12.005 1.00 0.00 C ATOM 969 O ASP A 66 -9.686 -6.373 -12.670 1.00 0.00 O ATOM 970 CB ASP A 66 -6.981 -5.782 -13.252 1.00 0.00 C ATOM 971 CG ASP A 66 -6.556 -4.915 -14.450 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.249 -3.919 -14.755 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.527 -5.230 -15.089 1.00 0.00 O ATOM 0 H ASP A 66 -6.880 -6.272 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.664 -3.982 -12.355 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.090 -6.253 -12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.623 -6.583 -13.618 1.00 0.00 H new ATOM 978 N GLU A 67 -9.968 -4.731 -11.132 1.00 0.00 N ATOM 979 CA GLU A 67 -11.416 -4.960 -10.886 1.00 0.00 C ATOM 980 C GLU A 67 -12.249 -4.131 -11.903 1.00 0.00 C ATOM 981 O GLU A 67 -13.326 -3.596 -11.570 1.00 0.00 O ATOM 982 CB GLU A 67 -11.756 -4.634 -9.400 1.00 0.00 C ATOM 983 CG GLU A 67 -13.010 -5.323 -8.813 1.00 0.00 C ATOM 984 CD GLU A 67 -12.853 -6.831 -8.592 1.00 0.00 C ATOM 985 OE1 GLU A 67 -11.973 -7.448 -9.232 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.612 -7.405 -7.780 1.00 0.00 O ATOM 0 H GLU A 67 -9.580 -3.976 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.673 -6.008 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.898 -4.906 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.884 -3.556 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.258 -4.852 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.852 -5.151 -9.483 1.00 0.00 H new ATOM 993 N ASP A 68 -11.777 -4.042 -13.160 1.00 0.00 N ATOM 994 CA ASP A 68 -12.432 -3.249 -14.236 1.00 0.00 C ATOM 995 C ASP A 68 -12.646 -4.165 -15.470 1.00 0.00 C ATOM 996 O ASP A 68 -13.775 -4.559 -15.786 1.00 0.00 O ATOM 997 CB ASP A 68 -11.622 -1.964 -14.575 1.00 0.00 C ATOM 998 CG ASP A 68 -10.102 -2.045 -14.355 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.663 -2.114 -13.185 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.344 -2.047 -15.350 1.00 0.00 O ATOM 0 H ASP A 68 -10.928 -4.517 -13.467 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.405 -2.897 -13.893 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.805 -1.709 -15.619 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.013 -1.143 -13.973 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.543 -4.491 -16.176 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.592 -5.348 -17.388 1.00 0.00 C ATOM 1007 C GLY A 69 -10.602 -4.820 -18.459 1.00 0.00 C ATOM 1008 O GLY A 69 -10.868 -3.809 -19.120 1.00 0.00 O ATOM 0 H GLY A 69 -10.605 -4.175 -15.930 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.341 -6.376 -17.126 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.604 -5.360 -17.793 1.00 0.00 H new ATOM 1012 N SER A 70 -9.464 -5.523 -18.614 1.00 0.00 N ATOM 1013 CA SER A 70 -8.396 -5.148 -19.579 1.00 0.00 C ATOM 1014 C SER A 70 -7.189 -6.111 -19.428 1.00 0.00 C ATOM 1015 O SER A 70 -6.637 -6.606 -20.419 1.00 0.00 O ATOM 1016 CB SER A 70 -8.001 -3.669 -19.359 1.00 0.00 C ATOM 1017 OG SER A 70 -8.065 -3.313 -17.981 1.00 0.00 O ATOM 0 H SER A 70 -9.253 -6.365 -18.079 1.00 0.00 H new ATOM 0 HA SER A 70 -8.759 -5.244 -20.602 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.991 -3.501 -19.733 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.665 -3.024 -19.934 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.766 -6.349 -18.170 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.605 -7.223 -17.866 1.00 0.00 C ATOM 1025 C GLY A 71 -4.280 -6.438 -18.046 1.00 0.00 C ATOM 1026 O GLY A 71 -3.254 -7.011 -18.435 1.00 0.00 O ATOM 0 H GLY A 71 -7.210 -5.949 -17.343 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.679 -7.596 -16.844 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.613 -8.092 -18.524 1.00 0.00 H new ATOM 1030 N THR A 72 -4.324 -5.123 -17.758 1.00 0.00 N ATOM 1031 CA THR A 72 -3.131 -4.236 -17.794 1.00 0.00 C ATOM 1032 C THR A 72 -3.218 -3.233 -16.613 1.00 0.00 C ATOM 1033 O THR A 72 -4.297 -3.005 -16.049 1.00 0.00 O ATOM 1034 CB THR A 72 -2.967 -3.528 -19.176 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.162 -2.837 -19.532 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.587 -4.454 -20.347 1.00 0.00 C ATOM 0 H THR A 72 -5.183 -4.640 -17.494 1.00 0.00 H new ATOM 0 HA THR A 72 -2.230 -4.838 -17.675 1.00 0.00 H new ATOM 0 HB THR A 72 -2.131 -2.844 -19.026 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.042 -1.876 -19.381 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.497 -3.867 -21.261 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.635 -4.939 -20.133 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.360 -5.212 -20.477 1.00 0.00 H new ATOM 1044 N ILE A 73 -2.066 -2.648 -16.226 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.959 -1.663 -15.116 1.00 0.00 C ATOM 1046 C ILE A 73 -1.571 -0.310 -15.773 1.00 0.00 C ATOM 1047 O ILE A 73 -0.402 0.095 -15.736 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.976 -2.157 -13.987 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.315 -3.596 -13.481 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.904 -1.175 -12.787 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.900 -4.749 -14.410 1.00 0.00 C ATOM 0 H ILE A 73 -1.172 -2.844 -16.676 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.902 -1.540 -14.583 1.00 0.00 H new ATOM 0 HB ILE A 73 0.007 -2.188 -14.458 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.834 -3.743 -12.514 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.390 -3.658 -13.315 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.213 -1.564 -12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.554 -0.202 -13.133 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.894 -1.068 -12.345 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.184 -5.700 -13.959 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.401 -4.640 -15.372 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.180 -4.726 -14.559 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.568 0.392 -16.345 1.00 0.00 N ATOM 1064 CA ASP A 74 -2.357 1.704 -17.014 1.00 0.00 C ATOM 1065 C ASP A 74 -2.204 2.805 -15.928 1.00 0.00 C ATOM 1066 O ASP A 74 -2.570 2.600 -14.764 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.496 2.019 -18.027 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.089 0.813 -18.776 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.359 -0.177 -19.002 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.284 0.857 -19.145 1.00 0.00 O ATOM 0 H ASP A 74 -3.537 0.075 -16.360 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.440 1.670 -17.603 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.302 2.520 -17.492 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.114 2.726 -18.763 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.688 3.981 -16.331 1.00 0.00 N ATOM 1076 CA PHE A 75 -1.469 5.129 -15.411 1.00 0.00 C ATOM 1077 C PHE A 75 -2.795 5.463 -14.672 1.00 0.00 C ATOM 1078 O PHE A 75 -2.767 6.060 -13.586 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.919 6.359 -16.195 1.00 0.00 C ATOM 1080 CG PHE A 75 -0.163 7.396 -15.340 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.352 7.037 -14.088 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.004 8.708 -15.798 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.003 7.983 -13.299 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.655 9.652 -15.006 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.147 9.290 -13.755 1.00 0.00 C ATOM 0 H PHE A 75 -1.411 4.169 -17.295 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.721 4.861 -14.665 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.251 6.001 -16.979 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.753 6.857 -16.689 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.244 6.023 -13.733 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.373 8.990 -16.770 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.396 7.702 -12.333 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.778 10.664 -15.363 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.641 10.025 -13.137 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.943 5.105 -15.275 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.288 5.454 -14.744 1.00 0.00 C ATOM 1097 C GLU A 76 -5.800 4.297 -13.842 1.00 0.00 C ATOM 1098 O GLU A 76 -6.961 3.884 -13.945 1.00 0.00 O ATOM 1099 CB GLU A 76 -6.272 5.799 -15.899 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.698 5.917 -17.334 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.744 6.268 -18.399 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.531 7.216 -18.184 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.779 5.599 -19.456 1.00 0.00 O ATOM 0 H GLU A 76 -3.973 4.567 -16.141 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.220 6.352 -14.129 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.051 5.037 -15.913 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.756 6.745 -15.654 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.918 6.679 -17.341 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.224 4.973 -17.603 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.904 3.769 -12.985 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.236 2.690 -12.017 1.00 0.00 C ATOM 1112 C GLU A 77 -4.075 2.532 -10.997 1.00 0.00 C ATOM 1113 O GLU A 77 -4.311 2.316 -9.802 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.551 1.347 -12.738 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.922 1.152 -14.138 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.723 0.201 -15.030 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.721 -1.022 -14.768 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -6.356 0.671 -16.002 1.00 0.00 O ATOM 0 H GLU A 77 -3.931 4.073 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.141 2.971 -11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.219 0.530 -12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.633 1.257 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.841 2.121 -14.631 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.909 0.766 -14.024 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.826 2.636 -11.487 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.605 2.503 -10.648 1.00 0.00 C ATOM 1127 C PHE A 78 -1.642 3.579 -9.529 1.00 0.00 C ATOM 1128 O PHE A 78 -1.129 3.360 -8.425 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.322 2.606 -11.530 1.00 0.00 C ATOM 1130 CG PHE A 78 0.933 1.928 -10.943 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.897 1.374 -9.658 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.118 1.861 -11.685 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.030 0.768 -9.121 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.251 1.256 -11.145 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.206 0.712 -9.863 1.00 0.00 C ATOM 0 H PHE A 78 -2.627 2.814 -12.472 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.579 1.521 -10.175 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.533 2.164 -12.504 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.101 3.660 -11.700 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.014 1.417 -9.080 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.154 2.280 -12.680 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.996 0.342 -8.129 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.164 1.209 -11.720 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.086 0.246 -9.444 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.226 4.751 -9.843 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.255 5.917 -8.921 1.00 0.00 C ATOM 1147 C LEU A 79 -3.277 5.624 -7.787 1.00 0.00 C ATOM 1148 O LEU A 79 -3.121 6.112 -6.660 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.610 7.224 -9.692 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.758 7.572 -10.948 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.381 8.705 -11.790 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.314 7.943 -10.558 1.00 0.00 C ATOM 0 H LEU A 79 -2.690 4.922 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.269 6.070 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.653 7.159 -10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.535 8.057 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.741 6.672 -11.563 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.747 8.908 -12.653 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.372 8.403 -12.130 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.465 9.606 -11.182 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.256 8.181 -11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.327 8.809 -9.897 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.152 7.102 -10.045 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.329 4.848 -8.107 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.401 4.485 -7.141 1.00 0.00 C ATOM 1166 C VAL A 80 -4.776 3.566 -6.057 1.00 0.00 C ATOM 1167 O VAL A 80 -4.858 3.856 -4.855 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.648 3.853 -7.859 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.510 2.326 -8.065 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.995 4.122 -7.143 1.00 0.00 C ATOM 0 H VAL A 80 -4.466 4.453 -9.037 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.793 5.378 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.664 4.358 -8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.400 1.944 -8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.633 2.119 -8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.400 1.837 -7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.804 3.652 -7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.961 3.707 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.169 5.197 -7.087 1.00 0.00 H new ATOM 1180 N MET A 81 -4.180 2.440 -6.494 1.00 0.00 N ATOM 1181 CA MET A 81 -3.546 1.442 -5.589 1.00 0.00 C ATOM 1182 C MET A 81 -2.543 2.189 -4.668 1.00 0.00 C ATOM 1183 O MET A 81 -2.497 1.935 -3.456 1.00 0.00 O ATOM 1184 CB MET A 81 -2.869 0.295 -6.391 1.00 0.00 C ATOM 1185 CG MET A 81 -1.534 0.632 -7.081 1.00 0.00 C ATOM 1186 SD MET A 81 -0.609 -0.886 -7.412 1.00 0.00 S ATOM 1187 CE MET A 81 0.285 -1.098 -5.857 1.00 0.00 C ATOM 0 H MET A 81 -4.121 2.190 -7.481 1.00 0.00 H new ATOM 0 HA MET A 81 -4.307 0.962 -4.973 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.701 -0.542 -5.713 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.569 -0.048 -7.153 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.721 1.164 -8.014 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.945 1.296 -6.448 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.900 -1.996 -5.911 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.923 -0.231 -5.683 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.428 -1.195 -5.038 1.00 0.00 H new ATOM 1197 N MET A 82 -1.728 3.082 -5.260 1.00 0.00 N ATOM 1198 CA MET A 82 -0.643 3.793 -4.530 1.00 0.00 C ATOM 1199 C MET A 82 -1.273 4.715 -3.450 1.00 0.00 C ATOM 1200 O MET A 82 -0.705 4.895 -2.366 1.00 0.00 O ATOM 1201 CB MET A 82 0.249 4.581 -5.529 1.00 0.00 C ATOM 1202 CG MET A 82 1.459 3.809 -6.092 1.00 0.00 C ATOM 1203 SD MET A 82 2.907 4.014 -5.028 1.00 0.00 S ATOM 1204 CE MET A 82 4.120 2.963 -5.851 1.00 0.00 C ATOM 0 H MET A 82 -1.795 3.334 -6.246 1.00 0.00 H new ATOM 0 HA MET A 82 0.003 3.075 -4.025 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.372 4.907 -6.364 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.613 5.480 -5.032 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.212 2.751 -6.178 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.687 4.165 -7.096 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.061 2.995 -5.302 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.752 1.937 -5.881 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.281 3.321 -6.868 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.460 5.271 -3.756 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.161 6.242 -2.872 1.00 0.00 C ATOM 1216 C VAL A 83 -3.623 5.471 -1.605 1.00 0.00 C ATOM 1217 O VAL A 83 -3.625 6.024 -0.498 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.322 6.985 -3.623 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.716 6.817 -2.968 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.056 8.500 -3.800 1.00 0.00 C ATOM 0 H VAL A 83 -2.965 5.066 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.489 7.044 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.336 6.494 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.459 7.362 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.980 5.760 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.691 7.211 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.894 8.958 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.943 8.966 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.143 8.644 -4.378 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.040 4.205 -1.790 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.582 3.350 -0.700 1.00 0.00 C ATOM 1232 C ARG A 84 -3.592 3.410 0.494 1.00 0.00 C ATOM 1233 O ARG A 84 -3.967 3.797 1.608 1.00 0.00 O ATOM 1234 CB ARG A 84 -4.784 1.891 -1.197 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.215 1.329 -1.025 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.528 0.188 -2.011 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.637 -0.671 -1.527 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.174 -1.695 -2.222 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -7.446 -2.393 -3.083 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.437 -2.056 -2.043 1.00 0.00 N ATOM 0 H ARG A 84 -4.014 3.739 -2.697 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.559 3.714 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.517 1.843 -2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.090 1.243 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.338 0.966 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.936 2.134 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.791 0.609 -2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.635 -0.420 -2.158 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.021 -0.473 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.464 -2.159 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.868 -3.164 -3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.020 -1.557 -1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.826 -2.833 -2.577 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.335 2.994 0.250 1.00 0.00 N ATOM 1255 CA GLN A 85 -1.282 2.933 1.298 1.00 0.00 C ATOM 1256 C GLN A 85 -1.035 4.374 1.824 1.00 0.00 C ATOM 1257 O GLN A 85 -0.792 4.577 3.019 1.00 0.00 O ATOM 1258 CB GLN A 85 0.008 2.277 0.728 1.00 0.00 C ATOM 1259 CG GLN A 85 0.963 3.213 -0.053 1.00 0.00 C ATOM 1260 CD GLN A 85 2.449 2.823 0.033 1.00 0.00 C ATOM 1261 OE1 GLN A 85 2.805 1.783 0.586 1.00 0.00 O ATOM 1262 NE2 GLN A 85 3.342 3.638 -0.509 1.00 0.00 N ATOM 0 H GLN A 85 -2.016 2.691 -0.670 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.601 2.310 2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.562 1.835 1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.286 1.460 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.663 3.225 -1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.844 4.229 0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.037 4.498 -0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.334 3.406 -0.470 1.00 0.00 H new ATOM 1271 N MET A 86 -1.126 5.362 0.914 1.00 0.00 N ATOM 1272 CA MET A 86 -0.837 6.787 1.226 1.00 0.00 C ATOM 1273 C MET A 86 -1.694 7.189 2.457 1.00 0.00 C ATOM 1274 O MET A 86 -1.235 7.937 3.328 1.00 0.00 O ATOM 1275 CB MET A 86 -1.102 7.701 -0.004 1.00 0.00 C ATOM 1276 CG MET A 86 0.121 8.461 -0.551 1.00 0.00 C ATOM 1277 SD MET A 86 -0.305 10.193 -0.841 1.00 0.00 S ATOM 1278 CE MET A 86 -1.552 10.038 -2.136 1.00 0.00 C ATOM 0 H MET A 86 -1.400 5.203 -0.056 1.00 0.00 H new ATOM 0 HA MET A 86 0.219 6.916 1.466 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.514 7.088 -0.806 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.867 8.429 0.266 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.947 8.395 0.157 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.460 8.001 -1.479 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.588 10.959 -2.718 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.296 9.205 -2.790 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.527 9.857 -1.683 1.00 0.00 H new ATOM 1288 N LYS A 87 -2.929 6.656 2.522 1.00 0.00 N ATOM 1289 CA LYS A 87 -3.898 6.973 3.603 1.00 0.00 C ATOM 1290 C LYS A 87 -3.242 6.626 4.967 1.00 0.00 C ATOM 1291 O LYS A 87 -2.443 5.686 5.062 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.229 6.185 3.442 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.208 6.741 2.382 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.624 6.128 2.415 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.687 4.624 2.084 1.00 0.00 C ATOM 1296 NZ LYS A 87 -8.112 4.395 0.692 1.00 0.00 N ATOM 0 H LYS A 87 -3.288 5.996 1.832 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.144 8.034 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.991 5.153 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.738 6.165 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.292 7.819 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.780 6.577 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.049 6.285 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.254 6.668 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.708 4.174 2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.381 4.130 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.144 3.373 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.057 4.804 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.435 4.846 0.044 1.00 0.00 H new ATOM 1310 N GLU A 88 -3.591 7.396 6.014 1.00 0.00 N ATOM 1311 CA GLU A 88 -3.054 7.196 7.386 1.00 0.00 C ATOM 1312 C GLU A 88 -1.506 7.307 7.326 1.00 0.00 C ATOM 1313 O GLU A 88 -0.949 8.410 7.390 1.00 0.00 O ATOM 1314 CB GLU A 88 -3.564 5.849 7.976 1.00 0.00 C ATOM 1315 CG GLU A 88 -3.032 5.463 9.376 1.00 0.00 C ATOM 1316 CD GLU A 88 -3.810 6.090 10.537 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -4.969 5.685 10.778 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -3.265 6.988 11.216 1.00 0.00 O ATOM 0 H GLU A 88 -4.249 8.172 5.941 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.414 7.967 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.652 5.888 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.303 5.051 7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.061 4.378 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.986 5.762 9.450 1.00 0.00 H new ATOM 1325 N ASP A 89 -0.827 6.151 7.203 1.00 0.00 N ATOM 1326 CA ASP A 89 0.659 6.077 7.196 1.00 0.00 C ATOM 1327 C ASP A 89 1.084 4.660 6.721 1.00 0.00 C ATOM 1328 O ASP A 89 0.252 3.751 6.622 1.00 0.00 O ATOM 1329 CB ASP A 89 1.259 6.450 8.582 1.00 0.00 C ATOM 1330 CG ASP A 89 2.690 7.016 8.569 1.00 0.00 C ATOM 1331 OD1 ASP A 89 2.879 8.169 8.123 1.00 0.00 O ATOM 1332 OD2 ASP A 89 3.626 6.307 9.000 1.00 0.00 O ATOM 0 H ASP A 89 -1.283 5.244 7.106 1.00 0.00 H new ATOM 0 HA ASP A 89 1.060 6.813 6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.604 7.183 9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.247 5.560 9.212 1.00 0.00 H new ATOM 1337 N ALA A 90 2.383 4.504 6.405 1.00 0.00 N ATOM 1338 CA ALA A 90 2.956 3.212 5.943 1.00 0.00 C ATOM 1339 C ALA A 90 2.505 2.962 4.491 1.00 0.00 C ATOM 1340 O ALA A 90 2.481 3.945 3.687 1.00 0.00 O ATOM 1341 CB ALA A 90 2.546 2.062 6.884 1.00 0.00 C ATOM 1342 OXT ALA A 90 2.170 1.793 4.124 1.00 0.00 O ATOM 0 H ALA A 90 3.066 5.260 6.460 1.00 0.00 H new ATOM 0 HA ALA A 90 4.045 3.257 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.977 1.127 6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.911 2.268 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.459 1.977 6.903 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.132 -2.398 -21.702 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.756 -1.758 -16.380 1.00 0.00 CA