USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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 98 THR OG1 : rot 132:sc= 0.877 USER MOD Set 1.2: A 125 THR OG1 : rot 30:sc= 1.19 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.157 X(o=0.16,f=-0.1) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= -0.154 (180deg=-0.642) USER MOD Single : A 51 HIS : no HD1:sc= -0.522 K(o=-0.52,f=-1.1) USER MOD Single : A 52 THR OG1 : rot -159:sc= 0.0373 USER MOD Single : A 58 THR OG1 : rot -36:sc= -0.276 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -155:sc= 0 (180deg=-0.685) USER MOD Single : A 80 LYS NZ :NH3+ -133:sc= -0.141 (180deg=-0.418) USER MOD Single : A 82 ASN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00586) USER MOD Single : A 86 THR OG1 : rot 33:sc= 0.42 USER MOD Single : A 91 TYR OH : rot 174:sc= 1.19 USER MOD Single : A 92 LYS NZ :NH3+ -164:sc=-0.000377 (180deg=-0.134) USER MOD Single : A 100 LYS NZ :NH3+ 141:sc= -0.449 (180deg=-2.59!) USER MOD Single : A 117 THR OG1 : rot 150:sc= -0.27 USER MOD Single : A 119 LYS NZ :NH3+ -116:sc= 0.516 (180deg=-0.513) USER MOD Single : A 122 THR OG1 : rot -160:sc= -0.873 USER MOD Single : A 124 MET CE :methyl -171:sc=-0.00661 (180deg=-0.212) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 CYS SG : rot 180:sc= -0.0367 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -9.560 9.683 28.668 1.00 0.00 N ATOM 2 CA MET A 43 -10.199 10.811 27.958 1.00 0.00 C ATOM 3 C MET A 43 -11.724 10.632 27.998 1.00 0.00 C ATOM 4 O MET A 43 -12.237 9.612 27.518 1.00 0.00 O ATOM 5 CB MET A 43 -9.686 10.897 26.495 1.00 0.00 C ATOM 6 CG MET A 43 -8.171 11.117 26.356 1.00 0.00 C ATOM 7 SD MET A 43 -7.631 11.158 24.635 1.00 0.00 S ATOM 8 CE MET A 43 -5.875 11.457 24.816 1.00 0.00 C ATOM 0 HA MET A 43 -9.938 11.747 28.453 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.955 9.977 25.976 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.205 11.711 25.990 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.898 12.054 26.841 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.642 10.321 26.880 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.411 11.506 23.831 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.719 12.401 25.339 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.425 10.646 25.389 1.00 0.00 H new ATOM 20 N ALA A 44 -12.435 11.605 28.608 1.00 0.00 N ATOM 21 CA ALA A 44 -13.908 11.590 28.696 1.00 0.00 C ATOM 22 C ALA A 44 -14.501 11.897 27.311 1.00 0.00 C ATOM 23 O ALA A 44 -15.259 11.099 26.754 1.00 0.00 O ATOM 24 CB ALA A 44 -14.406 12.597 29.755 1.00 0.00 C ATOM 0 H ALA A 44 -12.005 12.418 29.050 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.241 10.601 29.011 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.495 12.568 29.801 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.994 12.334 30.729 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.081 13.601 29.483 1.00 0.00 H new ATOM 30 N THR A 45 -14.099 13.052 26.758 1.00 0.00 N ATOM 31 CA THR A 45 -14.464 13.467 25.402 1.00 0.00 C ATOM 32 C THR A 45 -13.700 12.595 24.367 1.00 0.00 C ATOM 33 O THR A 45 -12.461 12.593 24.380 1.00 0.00 O ATOM 34 CB THR A 45 -14.143 14.989 25.203 1.00 0.00 C ATOM 35 OG1 THR A 45 -14.841 15.755 26.202 1.00 0.00 O ATOM 36 CG2 THR A 45 -14.520 15.516 23.805 1.00 0.00 C ATOM 0 H THR A 45 -13.508 13.726 27.245 1.00 0.00 H new ATOM 0 HA THR A 45 -15.534 13.324 25.251 1.00 0.00 H new ATOM 0 HB THR A 45 -13.063 15.100 25.303 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.642 16.707 26.082 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.271 16.575 23.736 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.966 14.963 23.046 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.590 15.383 23.642 1.00 0.00 H new ATOM 44 N PRO A 46 -14.425 11.814 23.490 1.00 0.00 N ATOM 45 CA PRO A 46 -13.795 10.995 22.427 1.00 0.00 C ATOM 46 C PRO A 46 -12.974 11.863 21.445 1.00 0.00 C ATOM 47 O PRO A 46 -13.491 12.822 20.863 1.00 0.00 O ATOM 48 CB PRO A 46 -14.994 10.296 21.724 1.00 0.00 C ATOM 49 CG PRO A 46 -16.182 11.135 22.083 1.00 0.00 C ATOM 50 CD PRO A 46 -15.904 11.655 23.476 1.00 0.00 C ATOM 0 HA PRO A 46 -13.078 10.278 22.826 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.851 10.253 20.644 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.114 9.270 22.071 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.311 11.955 21.377 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.099 10.547 22.060 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.413 12.601 23.662 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.241 10.956 24.242 1.00 0.00 H new ATOM 58 N GLN A 47 -11.676 11.550 21.340 1.00 0.00 N ATOM 59 CA GLN A 47 -10.755 12.218 20.417 1.00 0.00 C ATOM 60 C GLN A 47 -10.759 11.475 19.074 1.00 0.00 C ATOM 61 O GLN A 47 -10.130 10.420 18.920 1.00 0.00 O ATOM 62 CB GLN A 47 -9.335 12.298 21.030 1.00 0.00 C ATOM 63 CG GLN A 47 -9.263 13.065 22.368 1.00 0.00 C ATOM 64 CD GLN A 47 -9.819 14.494 22.289 1.00 0.00 C ATOM 65 OE1 GLN A 47 -9.102 15.436 21.948 1.00 0.00 O ATOM 66 NE2 GLN A 47 -11.099 14.668 22.607 1.00 0.00 N ATOM 0 H GLN A 47 -11.234 10.820 21.899 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.084 13.242 20.243 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.961 11.286 21.184 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.669 12.778 20.313 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.817 12.510 23.125 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.225 13.106 22.698 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.668 13.869 22.886 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.511 15.600 22.572 1.00 0.00 H new ATOM 75 N ASP A 48 -11.461 12.059 18.100 1.00 0.00 N ATOM 76 CA ASP A 48 -11.724 11.453 16.782 1.00 0.00 C ATOM 77 C ASP A 48 -10.561 11.694 15.789 1.00 0.00 C ATOM 78 O ASP A 48 -10.770 11.773 14.578 1.00 0.00 O ATOM 79 CB ASP A 48 -13.061 12.028 16.239 1.00 0.00 C ATOM 80 CG ASP A 48 -14.291 11.614 17.081 1.00 0.00 C ATOM 81 OD1 ASP A 48 -14.890 10.549 16.803 1.00 0.00 O ATOM 82 OD2 ASP A 48 -14.655 12.338 18.030 1.00 0.00 O ATOM 0 H ASP A 48 -11.873 12.986 18.203 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.804 10.372 16.894 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.997 13.116 16.213 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.203 11.692 15.212 1.00 0.00 H new ATOM 87 N LYS A 49 -9.325 11.781 16.314 1.00 0.00 N ATOM 88 CA LYS A 49 -8.094 11.901 15.500 1.00 0.00 C ATOM 89 C LYS A 49 -7.753 10.563 14.817 1.00 0.00 C ATOM 90 O LYS A 49 -6.981 10.521 13.857 1.00 0.00 O ATOM 91 CB LYS A 49 -6.920 12.411 16.389 1.00 0.00 C ATOM 92 CG LYS A 49 -6.837 13.953 16.633 1.00 0.00 C ATOM 93 CD LYS A 49 -8.099 14.611 17.279 1.00 0.00 C ATOM 94 CE LYS A 49 -9.154 15.094 16.253 1.00 0.00 C ATOM 95 NZ LYS A 49 -8.581 16.046 15.267 1.00 0.00 N ATOM 0 H LYS A 49 -9.148 11.770 17.318 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.262 12.630 14.707 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.989 11.917 17.358 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.984 12.089 15.933 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.978 14.154 17.273 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.644 14.442 15.678 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.565 13.893 17.953 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.783 15.459 17.886 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.568 14.234 15.727 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.979 15.572 16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.340 16.641 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.875 16.648 15.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.127 15.516 14.496 1.00 0.00 H new ATOM 109 N LEU A 50 -8.363 9.474 15.322 1.00 0.00 N ATOM 110 CA LEU A 50 -8.268 8.133 14.737 1.00 0.00 C ATOM 111 C LEU A 50 -9.308 7.950 13.601 1.00 0.00 C ATOM 112 O LEU A 50 -9.528 6.824 13.137 1.00 0.00 O ATOM 113 CB LEU A 50 -8.443 7.049 15.848 1.00 0.00 C ATOM 114 CG LEU A 50 -7.349 7.025 16.984 1.00 0.00 C ATOM 115 CD1 LEU A 50 -7.518 8.181 18.004 1.00 0.00 C ATOM 116 CD2 LEU A 50 -7.308 5.657 17.703 1.00 0.00 C ATOM 0 H LEU A 50 -8.943 9.507 16.160 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.279 8.013 14.296 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.417 7.193 16.315 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.460 6.070 15.370 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.391 7.178 16.487 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.738 8.114 18.762 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.440 9.137 17.487 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.495 8.105 18.481 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.543 5.677 18.479 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.279 5.454 18.155 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.073 4.874 16.982 1.00 0.00 H new ATOM 128 N HIS A 51 -9.949 9.062 13.154 1.00 0.00 N ATOM 129 CA HIS A 51 -10.784 9.075 11.935 1.00 0.00 C ATOM 130 C HIS A 51 -9.882 8.972 10.690 1.00 0.00 C ATOM 131 O HIS A 51 -9.521 9.978 10.070 1.00 0.00 O ATOM 132 CB HIS A 51 -11.691 10.343 11.856 1.00 0.00 C ATOM 133 CG HIS A 51 -12.952 10.294 12.686 1.00 0.00 C ATOM 134 ND1 HIS A 51 -13.990 11.186 12.515 1.00 0.00 N ATOM 135 CD2 HIS A 51 -13.362 9.438 13.649 1.00 0.00 C ATOM 136 CE1 HIS A 51 -14.977 10.881 13.328 1.00 0.00 C ATOM 137 NE2 HIS A 51 -14.621 9.823 14.029 1.00 0.00 N ATOM 0 H HIS A 51 -9.899 9.964 13.627 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.450 8.213 11.974 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -11.105 11.207 12.168 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.969 10.505 10.815 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -12.801 8.605 14.045 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.917 11.407 13.408 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.191 9.365 14.740 1.00 0.00 H new ATOM 146 N THR A 52 -9.483 7.737 10.390 1.00 0.00 N ATOM 147 CA THR A 52 -8.705 7.363 9.203 1.00 0.00 C ATOM 148 C THR A 52 -9.269 6.056 8.636 1.00 0.00 C ATOM 149 O THR A 52 -9.926 5.289 9.352 1.00 0.00 O ATOM 150 CB THR A 52 -7.186 7.157 9.547 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.069 6.455 10.796 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.384 8.469 9.616 1.00 0.00 C ATOM 0 H THR A 52 -9.699 6.938 10.986 1.00 0.00 H new ATOM 0 HA THR A 52 -8.781 8.170 8.475 1.00 0.00 H new ATOM 0 HB THR A 52 -6.758 6.575 8.731 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.180 6.611 11.177 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.344 8.248 9.858 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.432 8.976 8.652 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.806 9.114 10.387 1.00 0.00 H new ATOM 160 N VAL A 53 -8.991 5.795 7.359 1.00 0.00 N ATOM 161 CA VAL A 53 -9.369 4.545 6.702 1.00 0.00 C ATOM 162 C VAL A 53 -8.124 3.660 6.701 1.00 0.00 C ATOM 163 O VAL A 53 -7.102 4.042 6.143 1.00 0.00 O ATOM 164 CB VAL A 53 -9.878 4.773 5.235 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.303 3.438 4.575 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.025 5.804 5.205 1.00 0.00 C ATOM 0 H VAL A 53 -8.496 6.446 6.750 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.196 4.080 7.238 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.051 5.177 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.651 3.629 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.451 2.759 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.107 2.985 5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.361 5.945 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.855 5.442 5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.671 6.754 5.605 1.00 0.00 H new ATOM 176 N ARG A 54 -8.197 2.518 7.375 1.00 0.00 N ATOM 177 CA ARG A 54 -7.083 1.571 7.478 1.00 0.00 C ATOM 178 C ARG A 54 -7.477 0.258 6.802 1.00 0.00 C ATOM 179 O ARG A 54 -8.408 -0.422 7.244 1.00 0.00 O ATOM 180 CB ARG A 54 -6.688 1.354 8.963 1.00 0.00 C ATOM 181 CG ARG A 54 -5.561 0.320 9.186 1.00 0.00 C ATOM 182 CD ARG A 54 -5.062 0.287 10.639 1.00 0.00 C ATOM 183 NE ARG A 54 -6.161 0.129 11.611 1.00 0.00 N ATOM 184 CZ ARG A 54 -6.124 0.552 12.883 1.00 0.00 C ATOM 185 NH1 ARG A 54 -5.057 1.183 13.362 1.00 0.00 N ATOM 186 NH2 ARG A 54 -7.177 0.372 13.661 1.00 0.00 N ATOM 0 H ARG A 54 -9.036 2.217 7.871 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.208 1.975 6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.375 2.309 9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.571 1.034 9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.922 -0.670 8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.726 0.551 8.525 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.355 -0.534 10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.520 1.208 10.855 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.011 -0.336 11.292 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.251 1.352 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.044 1.499 14.332 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.011 -0.086 13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.156 0.691 14.630 1.00 0.00 H new ATOM 200 N LEU A 55 -6.750 -0.087 5.731 1.00 0.00 N ATOM 201 CA LEU A 55 -6.988 -1.301 4.951 1.00 0.00 C ATOM 202 C LEU A 55 -5.942 -2.357 5.301 1.00 0.00 C ATOM 203 O LEU A 55 -4.813 -2.050 5.707 1.00 0.00 O ATOM 204 CB LEU A 55 -6.983 -1.000 3.428 1.00 0.00 C ATOM 205 CG LEU A 55 -8.196 -0.174 2.912 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.034 0.208 1.419 1.00 0.00 C ATOM 207 CD2 LEU A 55 -9.537 -0.919 3.153 1.00 0.00 C ATOM 0 H LEU A 55 -5.974 0.476 5.382 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.975 -1.687 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.067 -0.462 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.951 -1.946 2.887 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.221 0.751 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.901 0.784 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.132 0.807 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.955 -0.698 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.362 -0.312 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.522 -1.874 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.669 -1.094 4.221 1.00 0.00 H new ATOM 219 N PHE A 56 -6.358 -3.599 5.127 1.00 0.00 N ATOM 220 CA PHE A 56 -5.567 -4.796 5.409 1.00 0.00 C ATOM 221 C PHE A 56 -5.609 -5.663 4.144 1.00 0.00 C ATOM 222 O PHE A 56 -6.697 -6.059 3.690 1.00 0.00 O ATOM 223 CB PHE A 56 -6.149 -5.579 6.620 1.00 0.00 C ATOM 224 CG PHE A 56 -6.174 -4.805 7.947 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.220 -3.929 8.253 1.00 0.00 C ATOM 226 CD2 PHE A 56 -5.152 -4.956 8.890 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.242 -3.237 9.448 1.00 0.00 C ATOM 228 CE2 PHE A 56 -5.180 -4.258 10.091 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.224 -3.401 10.366 1.00 0.00 C ATOM 0 H PHE A 56 -7.290 -3.815 4.773 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.544 -4.525 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.166 -5.887 6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.565 -6.489 6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.023 -3.791 7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.330 -5.624 8.682 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.059 -2.565 9.665 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.384 -4.387 10.809 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.246 -2.858 11.299 1.00 0.00 H new ATOM 239 N GLY A 57 -4.431 -5.955 3.585 1.00 0.00 N ATOM 240 CA GLY A 57 -4.328 -6.644 2.306 1.00 0.00 C ATOM 241 C GLY A 57 -2.899 -7.038 2.003 1.00 0.00 C ATOM 242 O GLY A 57 -1.988 -6.772 2.799 1.00 0.00 O ATOM 0 H GLY A 57 -3.532 -5.721 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.957 -7.534 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.705 -5.999 1.512 1.00 0.00 H new ATOM 246 N THR A 58 -2.697 -7.650 0.834 1.00 0.00 N ATOM 247 CA THR A 58 -1.388 -8.156 0.408 1.00 0.00 C ATOM 248 C THR A 58 -0.952 -7.412 -0.869 1.00 0.00 C ATOM 249 O THR A 58 -1.788 -7.060 -1.704 1.00 0.00 O ATOM 250 CB THR A 58 -1.442 -9.702 0.155 1.00 0.00 C ATOM 251 OG1 THR A 58 -2.197 -10.332 1.198 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.042 -10.328 0.126 1.00 0.00 C ATOM 0 H THR A 58 -3.439 -7.810 0.153 1.00 0.00 H new ATOM 0 HA THR A 58 -0.660 -7.977 1.199 1.00 0.00 H new ATOM 0 HB THR A 58 -1.911 -9.857 -0.816 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.021 -9.878 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.126 -11.400 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.544 -9.873 -0.673 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.453 -10.157 1.082 1.00 0.00 H new ATOM 260 N VAL A 59 0.354 -7.164 -0.993 1.00 0.00 N ATOM 261 CA VAL A 59 0.941 -6.432 -2.123 1.00 0.00 C ATOM 262 C VAL A 59 1.109 -7.358 -3.335 1.00 0.00 C ATOM 263 O VAL A 59 1.786 -8.387 -3.244 1.00 0.00 O ATOM 264 CB VAL A 59 2.337 -5.839 -1.719 1.00 0.00 C ATOM 265 CG1 VAL A 59 3.007 -5.089 -2.893 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.205 -4.930 -0.477 1.00 0.00 C ATOM 0 H VAL A 59 1.043 -7.468 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 59 0.267 -5.618 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 59 2.988 -6.675 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.971 -4.695 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.157 -5.776 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.367 -4.267 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.184 -4.529 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.524 -4.108 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.814 -5.510 0.359 1.00 0.00 H new ATOM 276 N ALA A 60 0.478 -6.988 -4.457 1.00 0.00 N ATOM 277 CA ALA A 60 0.632 -7.698 -5.736 1.00 0.00 C ATOM 278 C ALA A 60 1.990 -7.390 -6.377 1.00 0.00 C ATOM 279 O ALA A 60 2.552 -6.300 -6.195 1.00 0.00 O ATOM 280 CB ALA A 60 -0.498 -7.318 -6.705 1.00 0.00 C ATOM 0 H ALA A 60 -0.154 -6.189 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 60 0.580 -8.767 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.366 -7.853 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.459 -7.586 -6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.471 -6.244 -6.892 1.00 0.00 H new ATOM 286 N ALA A 61 2.501 -8.375 -7.126 1.00 0.00 N ATOM 287 CA ALA A 61 3.680 -8.210 -7.994 1.00 0.00 C ATOM 288 C ALA A 61 3.258 -7.526 -9.308 1.00 0.00 C ATOM 289 O ALA A 61 4.014 -6.738 -9.896 1.00 0.00 O ATOM 290 CB ALA A 61 4.326 -9.578 -8.268 1.00 0.00 C ATOM 0 H ALA A 61 2.108 -9.316 -7.149 1.00 0.00 H new ATOM 0 HA ALA A 61 4.418 -7.581 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.197 -9.447 -8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.635 -10.030 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.605 -10.228 -8.763 1.00 0.00 H new ATOM 296 N ASP A 62 2.021 -7.826 -9.733 1.00 0.00 N ATOM 297 CA ASP A 62 1.417 -7.277 -10.953 1.00 0.00 C ATOM 298 C ASP A 62 0.737 -5.950 -10.603 1.00 0.00 C ATOM 299 O ASP A 62 -0.338 -5.933 -9.985 1.00 0.00 O ATOM 300 CB ASP A 62 0.395 -8.283 -11.560 1.00 0.00 C ATOM 301 CG ASP A 62 1.044 -9.586 -12.048 1.00 0.00 C ATOM 302 OD1 ASP A 62 1.477 -10.406 -11.200 1.00 0.00 O ATOM 303 OD2 ASP A 62 1.119 -9.811 -13.278 1.00 0.00 O ATOM 0 H ASP A 62 1.405 -8.466 -9.231 1.00 0.00 H new ATOM 0 HA ASP A 62 2.189 -7.105 -11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.360 -8.520 -10.811 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.121 -7.807 -12.394 1.00 0.00 H new ATOM 308 N GLY A 63 1.398 -4.845 -10.958 1.00 0.00 N ATOM 309 CA GLY A 63 0.918 -3.499 -10.644 1.00 0.00 C ATOM 310 C GLY A 63 1.672 -2.870 -9.476 1.00 0.00 C ATOM 311 O GLY A 63 1.161 -1.956 -8.824 1.00 0.00 O ATOM 0 H GLY A 63 2.280 -4.859 -11.471 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.022 -2.865 -11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.145 -3.542 -10.406 1.00 0.00 H new ATOM 315 N LEU A 64 2.881 -3.387 -9.193 1.00 0.00 N ATOM 316 CA LEU A 64 3.819 -2.783 -8.233 1.00 0.00 C ATOM 317 C LEU A 64 4.783 -1.896 -9.042 1.00 0.00 C ATOM 318 O LEU A 64 5.511 -2.398 -9.904 1.00 0.00 O ATOM 319 CB LEU A 64 4.578 -3.895 -7.434 1.00 0.00 C ATOM 320 CG LEU A 64 5.260 -3.466 -6.074 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.709 -4.703 -5.269 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.462 -2.503 -6.271 1.00 0.00 C ATOM 0 H LEU A 64 3.235 -4.240 -9.626 1.00 0.00 H new ATOM 0 HA LEU A 64 3.294 -2.179 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.873 -4.699 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.349 -4.311 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 64 4.499 -2.922 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.175 -4.381 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.843 -5.325 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.427 -5.277 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.886 -2.247 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.222 -2.990 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.123 -1.595 -6.770 1.00 0.00 H new ATOM 334 N THR A 65 4.764 -0.586 -8.765 1.00 0.00 N ATOM 335 CA THR A 65 5.625 0.408 -9.432 1.00 0.00 C ATOM 336 C THR A 65 5.961 1.531 -8.429 1.00 0.00 C ATOM 337 O THR A 65 5.081 1.993 -7.703 1.00 0.00 O ATOM 338 CB THR A 65 4.916 1.009 -10.705 1.00 0.00 C ATOM 339 OG1 THR A 65 4.487 -0.058 -11.568 1.00 0.00 O ATOM 340 CG2 THR A 65 5.837 1.951 -11.503 1.00 0.00 C ATOM 0 H THR A 65 4.145 -0.179 -8.064 1.00 0.00 H new ATOM 0 HA THR A 65 6.541 -0.081 -9.763 1.00 0.00 H new ATOM 0 HB THR A 65 4.064 1.591 -10.352 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.045 0.318 -12.358 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.300 2.337 -12.369 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.146 2.781 -10.868 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.717 1.402 -11.837 1.00 0.00 H new ATOM 348 N MET A 66 7.231 1.974 -8.404 1.00 0.00 N ATOM 349 CA MET A 66 7.694 3.023 -7.472 1.00 0.00 C ATOM 350 C MET A 66 7.317 4.407 -8.038 1.00 0.00 C ATOM 351 O MET A 66 7.314 4.597 -9.261 1.00 0.00 O ATOM 352 CB MET A 66 9.227 2.915 -7.241 1.00 0.00 C ATOM 353 CG MET A 66 9.671 1.594 -6.589 1.00 0.00 C ATOM 354 SD MET A 66 8.987 1.377 -4.929 1.00 0.00 S ATOM 355 CE MET A 66 9.584 -0.260 -4.491 1.00 0.00 C ATOM 0 H MET A 66 7.961 1.620 -9.022 1.00 0.00 H new ATOM 0 HA MET A 66 7.207 2.889 -6.506 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.737 3.025 -8.198 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.548 3.745 -6.612 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.361 0.760 -7.218 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.759 1.566 -6.537 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.921 -0.702 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.604 -0.890 -5.380 1.00 0.00 H new ATOM 0 HE3 MET A 66 10.590 -0.182 -4.079 1.00 0.00 H new ATOM 365 N LEU A 67 6.984 5.362 -7.150 1.00 0.00 N ATOM 366 CA LEU A 67 6.511 6.704 -7.554 1.00 0.00 C ATOM 367 C LEU A 67 7.645 7.573 -8.122 1.00 0.00 C ATOM 368 O LEU A 67 8.826 7.329 -7.856 1.00 0.00 O ATOM 369 CB LEU A 67 5.840 7.439 -6.362 1.00 0.00 C ATOM 370 CG LEU A 67 4.569 6.761 -5.759 1.00 0.00 C ATOM 371 CD1 LEU A 67 3.942 7.642 -4.662 1.00 0.00 C ATOM 372 CD2 LEU A 67 3.540 6.419 -6.854 1.00 0.00 C ATOM 0 H LEU A 67 7.034 5.230 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 67 5.776 6.550 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.579 7.549 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.570 8.444 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 67 4.881 5.823 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.059 7.147 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.667 7.799 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.656 8.604 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.668 5.949 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.235 7.332 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.988 5.734 -7.573 1.00 0.00 H new ATOM 384 N ASP A 68 7.249 8.589 -8.902 1.00 0.00 N ATOM 385 CA ASP A 68 8.158 9.611 -9.463 1.00 0.00 C ATOM 386 C ASP A 68 7.804 10.979 -8.857 1.00 0.00 C ATOM 387 O ASP A 68 6.682 11.177 -8.372 1.00 0.00 O ATOM 388 CB ASP A 68 8.058 9.653 -11.019 1.00 0.00 C ATOM 389 CG ASP A 68 6.690 10.138 -11.541 1.00 0.00 C ATOM 390 OD1 ASP A 68 5.695 9.391 -11.394 1.00 0.00 O ATOM 391 OD2 ASP A 68 6.595 11.261 -12.083 1.00 0.00 O ATOM 0 H ASP A 68 6.274 8.730 -9.168 1.00 0.00 H new ATOM 0 HA ASP A 68 9.187 9.356 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.838 10.309 -11.406 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.255 8.656 -11.414 1.00 0.00 H new ATOM 396 N GLY A 69 8.783 11.897 -8.845 1.00 0.00 N ATOM 397 CA GLY A 69 8.597 13.261 -8.321 1.00 0.00 C ATOM 398 C GLY A 69 8.494 13.333 -6.792 1.00 0.00 C ATOM 399 O GLY A 69 8.412 14.428 -6.229 1.00 0.00 O ATOM 0 H GLY A 69 9.723 11.717 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.431 13.882 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.693 13.686 -8.756 1.00 0.00 H new ATOM 403 N ALA A 70 8.522 12.163 -6.135 1.00 0.00 N ATOM 404 CA ALA A 70 8.334 12.012 -4.682 1.00 0.00 C ATOM 405 C ALA A 70 8.588 10.539 -4.303 1.00 0.00 C ATOM 406 O ALA A 70 8.303 9.643 -5.121 1.00 0.00 O ATOM 407 CB ALA A 70 6.911 12.428 -4.254 1.00 0.00 C ATOM 0 H ALA A 70 8.680 11.274 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 70 9.038 12.664 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.805 12.305 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.742 13.472 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.180 11.802 -4.765 1.00 0.00 H new ATOM 413 N PRO A 71 9.123 10.250 -3.065 1.00 0.00 N ATOM 414 CA PRO A 71 9.314 8.861 -2.595 1.00 0.00 C ATOM 415 C PRO A 71 7.964 8.157 -2.356 1.00 0.00 C ATOM 416 O PRO A 71 6.964 8.808 -2.016 1.00 0.00 O ATOM 417 CB PRO A 71 10.117 9.033 -1.280 1.00 0.00 C ATOM 418 CG PRO A 71 9.739 10.397 -0.787 1.00 0.00 C ATOM 419 CD PRO A 71 9.574 11.240 -2.037 1.00 0.00 C ATOM 0 HA PRO A 71 9.830 8.233 -3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.859 8.262 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.190 8.958 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.815 10.365 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.509 10.807 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.840 12.033 -1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.509 11.720 -2.324 1.00 0.00 H new ATOM 427 N GLY A 72 7.940 6.838 -2.573 1.00 0.00 N ATOM 428 CA GLY A 72 6.746 6.031 -2.364 1.00 0.00 C ATOM 429 C GLY A 72 6.621 4.912 -3.379 1.00 0.00 C ATOM 430 O GLY A 72 7.532 4.678 -4.183 1.00 0.00 O ATOM 0 H GLY A 72 8.748 6.306 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.768 5.607 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.864 6.670 -2.421 1.00 0.00 H new ATOM 434 N VAL A 73 5.467 4.240 -3.353 1.00 0.00 N ATOM 435 CA VAL A 73 5.162 3.103 -4.216 1.00 0.00 C ATOM 436 C VAL A 73 3.646 3.034 -4.439 1.00 0.00 C ATOM 437 O VAL A 73 2.860 3.139 -3.490 1.00 0.00 O ATOM 438 CB VAL A 73 5.702 1.740 -3.629 1.00 0.00 C ATOM 439 CG1 VAL A 73 5.152 1.449 -2.204 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.411 0.559 -4.593 1.00 0.00 C ATOM 0 H VAL A 73 4.705 4.478 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 73 5.671 3.253 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 73 6.783 1.844 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.553 0.501 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.453 2.249 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.064 1.393 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.794 -0.366 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.335 0.470 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.899 0.742 -5.550 1.00 0.00 H new ATOM 450 N ARG A 74 3.243 2.932 -5.706 1.00 0.00 N ATOM 451 CA ARG A 74 1.876 2.588 -6.081 1.00 0.00 C ATOM 452 C ARG A 74 1.832 1.077 -6.325 1.00 0.00 C ATOM 453 O ARG A 74 2.602 0.556 -7.131 1.00 0.00 O ATOM 454 CB ARG A 74 1.425 3.366 -7.338 1.00 0.00 C ATOM 455 CG ARG A 74 -0.066 3.169 -7.708 1.00 0.00 C ATOM 456 CD ARG A 74 -0.459 3.917 -8.991 1.00 0.00 C ATOM 457 NE ARG A 74 0.301 3.429 -10.168 1.00 0.00 N ATOM 458 CZ ARG A 74 0.929 4.188 -11.086 1.00 0.00 C ATOM 459 NH1 ARG A 74 0.927 5.514 -10.999 1.00 0.00 N ATOM 460 NH2 ARG A 74 1.557 3.596 -12.092 1.00 0.00 N ATOM 0 H ARG A 74 3.861 3.087 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 74 1.188 2.864 -5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.611 4.428 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.041 3.057 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.268 2.105 -7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.690 3.515 -6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.527 3.793 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.279 4.984 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 74 0.353 2.418 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.444 5.974 -10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.408 6.072 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.560 2.578 -12.163 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.037 4.158 -12.795 1.00 0.00 H new ATOM 474 N PHE A 75 0.937 0.384 -5.631 1.00 0.00 N ATOM 475 CA PHE A 75 0.838 -1.080 -5.701 1.00 0.00 C ATOM 476 C PHE A 75 -0.632 -1.494 -5.674 1.00 0.00 C ATOM 477 O PHE A 75 -1.489 -0.755 -5.178 1.00 0.00 O ATOM 478 CB PHE A 75 1.650 -1.762 -4.557 1.00 0.00 C ATOM 479 CG PHE A 75 1.188 -1.430 -3.133 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.632 -0.279 -2.489 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.304 -2.269 -2.443 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.214 0.022 -1.206 1.00 0.00 C ATOM 483 CE2 PHE A 75 -0.110 -1.968 -1.160 1.00 0.00 C ATOM 484 CZ PHE A 75 0.341 -0.824 -0.542 1.00 0.00 C ATOM 0 H PHE A 75 0.258 0.814 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 75 1.278 -1.419 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.601 -2.842 -4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.697 -1.475 -4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.312 0.388 -2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.060 -3.166 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.569 0.919 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.788 -2.630 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.015 -0.586 0.460 1.00 0.00 H new ATOM 494 N ARG A 76 -0.909 -2.680 -6.212 1.00 0.00 N ATOM 495 CA ARG A 76 -2.253 -3.228 -6.271 1.00 0.00 C ATOM 496 C ARG A 76 -2.494 -4.055 -4.995 1.00 0.00 C ATOM 497 O ARG A 76 -2.001 -5.182 -4.874 1.00 0.00 O ATOM 498 CB ARG A 76 -2.414 -4.084 -7.553 1.00 0.00 C ATOM 499 CG ARG A 76 -3.864 -4.493 -7.874 1.00 0.00 C ATOM 500 CD ARG A 76 -3.947 -5.531 -9.006 1.00 0.00 C ATOM 501 NE ARG A 76 -3.405 -6.846 -8.590 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.106 -7.854 -9.424 1.00 0.00 C ATOM 503 NH1 ARG A 76 -3.240 -7.727 -10.730 1.00 0.00 N ATOM 504 NH2 ARG A 76 -2.655 -8.993 -8.939 1.00 0.00 N ATOM 0 H ARG A 76 -0.199 -3.288 -6.621 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.996 -2.432 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.012 -3.526 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.811 -4.986 -7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.330 -4.901 -6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.434 -3.607 -8.155 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.985 -5.648 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.394 -5.168 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.247 -6.996 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.577 -6.849 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.007 -8.507 -11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.534 -9.107 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.427 -9.761 -9.570 1.00 0.00 H new ATOM 518 N LEU A 77 -3.200 -3.453 -4.028 1.00 0.00 N ATOM 519 CA LEU A 77 -3.570 -4.109 -2.772 1.00 0.00 C ATOM 520 C LEU A 77 -4.671 -5.149 -3.035 1.00 0.00 C ATOM 521 O LEU A 77 -5.828 -4.797 -3.313 1.00 0.00 O ATOM 522 CB LEU A 77 -4.090 -3.079 -1.742 1.00 0.00 C ATOM 523 CG LEU A 77 -4.372 -3.642 -0.307 1.00 0.00 C ATOM 524 CD1 LEU A 77 -3.074 -3.714 0.525 1.00 0.00 C ATOM 525 CD2 LEU A 77 -5.484 -2.849 0.422 1.00 0.00 C ATOM 0 H LEU A 77 -3.531 -2.491 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.681 -4.595 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.360 -2.273 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.009 -2.638 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.745 -4.659 -0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.299 -4.108 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.359 -4.369 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.647 -2.716 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.645 -3.275 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.183 -1.806 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.408 -2.907 -0.153 1.00 0.00 H new ATOM 537 N GLU A 78 -4.281 -6.417 -2.979 1.00 0.00 N ATOM 538 CA GLU A 78 -5.205 -7.542 -3.077 1.00 0.00 C ATOM 539 C GLU A 78 -5.819 -7.777 -1.691 1.00 0.00 C ATOM 540 O GLU A 78 -5.154 -8.296 -0.789 1.00 0.00 O ATOM 541 CB GLU A 78 -4.458 -8.788 -3.619 1.00 0.00 C ATOM 542 CG GLU A 78 -3.653 -8.484 -4.898 1.00 0.00 C ATOM 543 CD GLU A 78 -3.136 -9.736 -5.611 1.00 0.00 C ATOM 544 OE1 GLU A 78 -2.079 -10.270 -5.219 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.784 -10.189 -6.576 1.00 0.00 O ATOM 0 H GLU A 78 -3.307 -6.696 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.012 -7.332 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.784 -9.166 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.179 -9.578 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.281 -7.918 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.807 -7.847 -4.641 1.00 0.00 H new ATOM 552 N ASP A 79 -7.075 -7.315 -1.531 1.00 0.00 N ATOM 553 CA ASP A 79 -7.802 -7.331 -0.247 1.00 0.00 C ATOM 554 C ASP A 79 -8.048 -8.770 0.248 1.00 0.00 C ATOM 555 O ASP A 79 -8.198 -9.701 -0.552 1.00 0.00 O ATOM 556 CB ASP A 79 -9.141 -6.550 -0.397 1.00 0.00 C ATOM 557 CG ASP A 79 -10.054 -6.591 0.846 1.00 0.00 C ATOM 558 OD1 ASP A 79 -9.573 -6.331 1.973 1.00 0.00 O ATOM 559 OD2 ASP A 79 -11.254 -6.899 0.708 1.00 0.00 O ATOM 0 H ASP A 79 -7.618 -6.917 -2.297 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.187 -6.839 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.915 -5.510 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.689 -6.956 -1.247 1.00 0.00 H new ATOM 564 N LYS A 80 -8.074 -8.929 1.583 1.00 0.00 N ATOM 565 CA LYS A 80 -8.187 -10.243 2.252 1.00 0.00 C ATOM 566 C LYS A 80 -9.653 -10.638 2.459 1.00 0.00 C ATOM 567 O LYS A 80 -9.975 -11.831 2.541 1.00 0.00 O ATOM 568 CB LYS A 80 -7.444 -10.210 3.611 1.00 0.00 C ATOM 569 CG LYS A 80 -5.986 -9.718 3.528 1.00 0.00 C ATOM 570 CD LYS A 80 -5.095 -10.568 2.587 1.00 0.00 C ATOM 571 CE LYS A 80 -4.865 -12.003 3.090 1.00 0.00 C ATOM 572 NZ LYS A 80 -4.276 -12.009 4.450 1.00 0.00 N ATOM 0 H LYS A 80 -8.017 -8.146 2.235 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.726 -10.993 1.608 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.994 -9.565 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.453 -11.212 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.980 -8.684 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.552 -9.724 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.556 -10.607 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.131 -10.074 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.811 -12.544 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.203 -12.530 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.476 -12.673 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.941 -11.053 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.997 -12.304 5.139 1.00 0.00 H new ATOM 586 N ASP A 81 -10.537 -9.633 2.569 1.00 0.00 N ATOM 587 CA ASP A 81 -11.987 -9.854 2.712 1.00 0.00 C ATOM 588 C ASP A 81 -12.603 -10.258 1.354 1.00 0.00 C ATOM 589 O ASP A 81 -13.532 -11.072 1.295 1.00 0.00 O ATOM 590 CB ASP A 81 -12.650 -8.579 3.290 1.00 0.00 C ATOM 591 CG ASP A 81 -14.162 -8.719 3.538 1.00 0.00 C ATOM 592 OD1 ASP A 81 -14.562 -9.553 4.380 1.00 0.00 O ATOM 593 OD2 ASP A 81 -14.958 -8.005 2.893 1.00 0.00 O ATOM 0 H ASP A 81 -10.269 -8.649 2.562 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.168 -10.674 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.160 -8.321 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.480 -7.750 2.603 1.00 0.00 H new ATOM 598 N ASN A 82 -12.042 -9.692 0.272 1.00 0.00 N ATOM 599 CA ASN A 82 -12.417 -9.994 -1.122 1.00 0.00 C ATOM 600 C ASN A 82 -11.151 -9.989 -1.992 1.00 0.00 C ATOM 601 O ASN A 82 -10.588 -8.920 -2.247 1.00 0.00 O ATOM 602 CB ASN A 82 -13.435 -8.951 -1.682 1.00 0.00 C ATOM 603 CG ASN A 82 -14.842 -9.065 -1.086 1.00 0.00 C ATOM 604 OD1 ASN A 82 -15.700 -9.775 -1.616 1.00 0.00 O ATOM 605 ND2 ASN A 82 -15.088 -8.369 0.012 1.00 0.00 N ATOM 0 H ASN A 82 -11.299 -8.997 0.343 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.894 -10.974 -1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.052 -7.948 -1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.500 -9.068 -2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.010 -8.410 0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.355 -7.792 0.425 1.00 0.00 H new ATOM 612 N THR A 83 -10.706 -11.179 -2.440 1.00 0.00 N ATOM 613 CA THR A 83 -9.557 -11.309 -3.370 1.00 0.00 C ATOM 614 C THR A 83 -9.949 -10.817 -4.783 1.00 0.00 C ATOM 615 O THR A 83 -9.087 -10.453 -5.587 1.00 0.00 O ATOM 616 CB THR A 83 -9.017 -12.791 -3.432 1.00 0.00 C ATOM 617 OG1 THR A 83 -7.798 -12.858 -4.196 1.00 0.00 O ATOM 618 CG2 THR A 83 -10.043 -13.783 -4.024 1.00 0.00 C ATOM 0 H THR A 83 -11.124 -12.070 -2.174 1.00 0.00 H new ATOM 0 HA THR A 83 -8.751 -10.683 -2.987 1.00 0.00 H new ATOM 0 HB THR A 83 -8.828 -13.086 -2.400 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.478 -13.784 -4.222 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.613 -14.785 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.944 -13.785 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.297 -13.481 -5.040 1.00 0.00 H new ATOM 626 N SER A 84 -11.271 -10.818 -5.065 1.00 0.00 N ATOM 627 CA SER A 84 -11.851 -10.264 -6.308 1.00 0.00 C ATOM 628 C SER A 84 -11.765 -8.715 -6.336 1.00 0.00 C ATOM 629 O SER A 84 -11.894 -8.096 -7.401 1.00 0.00 O ATOM 630 CB SER A 84 -13.320 -10.740 -6.454 1.00 0.00 C ATOM 631 OG SER A 84 -13.932 -10.247 -7.634 1.00 0.00 O ATOM 0 H SER A 84 -11.970 -11.206 -4.432 1.00 0.00 H new ATOM 0 HA SER A 84 -11.271 -10.632 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.347 -11.830 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.893 -10.413 -5.587 1.00 0.00 H new ATOM 0 HG SER A 84 -14.855 -10.573 -7.685 1.00 0.00 H new ATOM 637 N LYS A 85 -11.549 -8.101 -5.158 1.00 0.00 N ATOM 638 CA LYS A 85 -11.337 -6.648 -5.027 1.00 0.00 C ATOM 639 C LYS A 85 -9.836 -6.363 -4.855 1.00 0.00 C ATOM 640 O LYS A 85 -9.296 -6.431 -3.746 1.00 0.00 O ATOM 641 CB LYS A 85 -12.160 -6.065 -3.843 1.00 0.00 C ATOM 642 CG LYS A 85 -13.681 -5.997 -4.098 1.00 0.00 C ATOM 643 CD LYS A 85 -14.462 -5.435 -2.889 1.00 0.00 C ATOM 644 CE LYS A 85 -15.950 -5.208 -3.200 1.00 0.00 C ATOM 645 NZ LYS A 85 -16.643 -6.454 -3.617 1.00 0.00 N ATOM 0 H LYS A 85 -11.517 -8.600 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.688 -6.156 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.979 -6.673 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.795 -5.062 -3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.872 -5.373 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -14.051 -6.995 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.371 -6.125 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.012 -4.493 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.444 -4.800 -2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.043 -4.463 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.650 -6.253 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.214 -6.813 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.551 -7.170 -2.868 1.00 0.00 H new ATOM 659 N THR A 86 -9.163 -6.113 -5.987 1.00 0.00 N ATOM 660 CA THR A 86 -7.760 -5.703 -6.012 1.00 0.00 C ATOM 661 C THR A 86 -7.696 -4.195 -6.332 1.00 0.00 C ATOM 662 O THR A 86 -7.845 -3.776 -7.485 1.00 0.00 O ATOM 663 CB THR A 86 -6.949 -6.554 -7.048 1.00 0.00 C ATOM 664 OG1 THR A 86 -7.531 -6.446 -8.359 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.892 -8.041 -6.648 1.00 0.00 C ATOM 0 H THR A 86 -9.583 -6.191 -6.913 1.00 0.00 H new ATOM 0 HA THR A 86 -7.302 -5.879 -5.039 1.00 0.00 H new ATOM 0 HB THR A 86 -5.934 -6.156 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.917 -5.553 -8.473 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.321 -8.596 -7.392 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.411 -8.138 -5.675 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.904 -8.442 -6.594 1.00 0.00 H new ATOM 673 N VAL A 87 -7.473 -3.394 -5.288 1.00 0.00 N ATOM 674 CA VAL A 87 -7.562 -1.921 -5.340 1.00 0.00 C ATOM 675 C VAL A 87 -6.149 -1.337 -5.472 1.00 0.00 C ATOM 676 O VAL A 87 -5.202 -1.916 -4.960 1.00 0.00 O ATOM 677 CB VAL A 87 -8.249 -1.370 -4.021 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.411 0.175 -4.023 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.604 -2.079 -3.775 1.00 0.00 C ATOM 0 H VAL A 87 -7.221 -3.749 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.164 -1.625 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.579 -1.603 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.887 0.492 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.430 0.644 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.030 0.475 -4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.060 -1.687 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.268 -1.898 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.439 -3.151 -3.666 1.00 0.00 H new ATOM 689 N TRP A 88 -6.008 -0.189 -6.154 1.00 0.00 N ATOM 690 CA TRP A 88 -4.712 0.497 -6.288 1.00 0.00 C ATOM 691 C TRP A 88 -4.480 1.354 -5.041 1.00 0.00 C ATOM 692 O TRP A 88 -5.430 1.874 -4.463 1.00 0.00 O ATOM 693 CB TRP A 88 -4.686 1.368 -7.574 1.00 0.00 C ATOM 694 CG TRP A 88 -4.836 0.549 -8.837 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.996 0.240 -9.493 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.781 -0.094 -9.567 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.722 -0.549 -10.581 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.373 -0.770 -10.646 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.391 -0.157 -9.410 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.628 -1.503 -11.568 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.653 -0.886 -10.319 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.272 -1.557 -11.386 1.00 0.00 C ATOM 0 H TRP A 88 -6.779 0.286 -6.623 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.912 -0.238 -6.375 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.489 2.104 -7.526 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.748 1.922 -7.614 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.982 0.569 -9.198 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.413 -0.913 -11.237 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.906 0.356 -8.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -4.103 -2.010 -12.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.580 -0.942 -10.208 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.667 -2.126 -12.076 1.00 0.00 H new ATOM 713 N VAL A 89 -3.218 1.465 -4.608 1.00 0.00 N ATOM 714 CA VAL A 89 -2.844 2.224 -3.408 1.00 0.00 C ATOM 715 C VAL A 89 -1.699 3.171 -3.742 1.00 0.00 C ATOM 716 O VAL A 89 -0.635 2.742 -4.189 1.00 0.00 O ATOM 717 CB VAL A 89 -2.442 1.287 -2.213 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.923 2.098 -0.993 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.634 0.386 -1.812 1.00 0.00 C ATOM 0 H VAL A 89 -2.426 1.030 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.717 2.794 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.622 0.652 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.656 1.413 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.045 2.674 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.704 2.776 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.341 -0.258 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.475 1.009 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.927 -0.229 -2.663 1.00 0.00 H new ATOM 729 N LEU A 90 -1.955 4.459 -3.529 1.00 0.00 N ATOM 730 CA LEU A 90 -0.980 5.518 -3.680 1.00 0.00 C ATOM 731 C LEU A 90 -0.327 5.775 -2.312 1.00 0.00 C ATOM 732 O LEU A 90 -0.843 6.549 -1.496 1.00 0.00 O ATOM 733 CB LEU A 90 -1.699 6.792 -4.223 1.00 0.00 C ATOM 734 CG LEU A 90 -0.784 7.957 -4.689 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.181 7.480 -5.797 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.635 9.166 -5.156 1.00 0.00 C ATOM 0 H LEU A 90 -2.873 4.797 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.200 5.241 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.330 6.497 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.361 7.169 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.180 8.286 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.814 8.310 -6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.805 6.673 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.394 7.120 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.976 9.972 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.272 8.863 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.256 9.514 -4.331 1.00 0.00 H new ATOM 748 N TYR A 91 0.787 5.075 -2.050 1.00 0.00 N ATOM 749 CA TYR A 91 1.598 5.282 -0.843 1.00 0.00 C ATOM 750 C TYR A 91 2.724 6.266 -1.178 1.00 0.00 C ATOM 751 O TYR A 91 3.568 5.964 -2.010 1.00 0.00 O ATOM 752 CB TYR A 91 2.185 3.936 -0.302 1.00 0.00 C ATOM 753 CG TYR A 91 3.201 4.129 0.841 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.807 4.705 2.050 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.551 3.778 0.705 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.709 4.931 3.069 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.453 3.995 1.728 1.00 0.00 C ATOM 758 CZ TYR A 91 5.025 4.572 2.902 1.00 0.00 C ATOM 759 OH TYR A 91 5.920 4.804 3.916 1.00 0.00 O ATOM 0 H TYR A 91 1.150 4.350 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 91 0.965 5.689 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.368 3.307 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.667 3.403 -1.121 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.772 4.980 2.191 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.892 3.330 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.383 5.387 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.489 3.713 1.607 1.00 0.00 H new ATOM 0 HH TYR A 91 6.786 4.407 3.685 1.00 0.00 H new ATOM 769 N LYS A 92 2.707 7.449 -0.550 1.00 0.00 N ATOM 770 CA LYS A 92 3.807 8.422 -0.631 1.00 0.00 C ATOM 771 C LYS A 92 4.577 8.402 0.698 1.00 0.00 C ATOM 772 O LYS A 92 3.979 8.580 1.767 1.00 0.00 O ATOM 773 CB LYS A 92 3.257 9.841 -0.935 1.00 0.00 C ATOM 774 CG LYS A 92 2.441 9.924 -2.240 1.00 0.00 C ATOM 775 CD LYS A 92 1.868 11.326 -2.497 1.00 0.00 C ATOM 776 CE LYS A 92 1.069 11.403 -3.801 1.00 0.00 C ATOM 777 NZ LYS A 92 1.922 11.166 -4.992 1.00 0.00 N ATOM 0 H LYS A 92 1.928 7.760 0.031 1.00 0.00 H new ATOM 0 HA LYS A 92 4.481 8.153 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.630 10.163 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.092 10.539 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.075 9.637 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.623 9.205 -2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.226 11.611 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.684 12.048 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.266 10.666 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.600 12.383 -3.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.423 11.488 -5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.812 11.694 -4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.129 10.150 -5.074 1.00 0.00 H new ATOM 791 N GLY A 93 5.888 8.135 0.620 1.00 0.00 N ATOM 792 CA GLY A 93 6.760 8.114 1.794 1.00 0.00 C ATOM 793 C GLY A 93 7.857 7.074 1.667 1.00 0.00 C ATOM 794 O GLY A 93 8.142 6.592 0.566 1.00 0.00 O ATOM 0 H GLY A 93 6.368 7.929 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.207 9.098 1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.165 7.907 2.684 1.00 0.00 H new ATOM 798 N ALA A 94 8.472 6.727 2.808 1.00 0.00 N ATOM 799 CA ALA A 94 9.610 5.802 2.871 1.00 0.00 C ATOM 800 C ALA A 94 9.141 4.345 2.701 1.00 0.00 C ATOM 801 O ALA A 94 8.430 3.815 3.559 1.00 0.00 O ATOM 802 CB ALA A 94 10.345 5.995 4.210 1.00 0.00 C ATOM 0 H ALA A 94 8.189 7.085 3.720 1.00 0.00 H new ATOM 0 HA ALA A 94 10.297 6.019 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.191 5.310 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.704 7.022 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.661 5.790 5.033 1.00 0.00 H new ATOM 808 N VAL A 95 9.516 3.730 1.571 1.00 0.00 N ATOM 809 CA VAL A 95 9.214 2.317 1.277 1.00 0.00 C ATOM 810 C VAL A 95 10.235 1.419 2.009 1.00 0.00 C ATOM 811 O VAL A 95 11.437 1.508 1.724 1.00 0.00 O ATOM 812 CB VAL A 95 9.251 2.037 -0.271 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.922 0.557 -0.606 1.00 0.00 C ATOM 814 CG2 VAL A 95 8.295 3.003 -0.997 1.00 0.00 C ATOM 0 H VAL A 95 10.039 4.198 0.831 1.00 0.00 H new ATOM 0 HA VAL A 95 8.207 2.092 1.628 1.00 0.00 H new ATOM 0 HB VAL A 95 10.267 2.213 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.960 0.411 -1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.651 -0.095 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.924 0.315 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.323 2.806 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.280 2.856 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.604 4.031 -0.809 1.00 0.00 H new ATOM 824 N PRO A 96 9.781 0.549 2.970 1.00 0.00 N ATOM 825 CA PRO A 96 10.699 -0.285 3.765 1.00 0.00 C ATOM 826 C PRO A 96 11.317 -1.438 2.942 1.00 0.00 C ATOM 827 O PRO A 96 10.813 -1.807 1.880 1.00 0.00 O ATOM 828 CB PRO A 96 9.799 -0.808 4.908 1.00 0.00 C ATOM 829 CG PRO A 96 8.424 -0.854 4.320 1.00 0.00 C ATOM 830 CD PRO A 96 8.355 0.303 3.343 1.00 0.00 C ATOM 0 HA PRO A 96 11.565 0.272 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.119 -1.794 5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.837 -0.148 5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.246 -1.803 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.664 -0.758 5.095 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.752 0.053 2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.904 1.184 3.800 1.00 0.00 H new ATOM 838 N ASP A 97 12.421 -1.987 3.461 1.00 0.00 N ATOM 839 CA ASP A 97 13.145 -3.132 2.854 1.00 0.00 C ATOM 840 C ASP A 97 12.333 -4.426 3.008 1.00 0.00 C ATOM 841 O ASP A 97 12.478 -5.365 2.222 1.00 0.00 O ATOM 842 CB ASP A 97 14.540 -3.292 3.515 1.00 0.00 C ATOM 843 CG ASP A 97 15.357 -1.992 3.484 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.134 -1.124 4.359 1.00 0.00 O ATOM 845 OD2 ASP A 97 16.195 -1.812 2.574 1.00 0.00 O ATOM 0 H ASP A 97 12.849 -1.652 4.324 1.00 0.00 H new ATOM 0 HA ASP A 97 13.279 -2.934 1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.414 -3.614 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.094 -4.078 3.002 1.00 0.00 H new ATOM 850 N THR A 98 11.470 -4.435 4.032 1.00 0.00 N ATOM 851 CA THR A 98 10.520 -5.515 4.302 1.00 0.00 C ATOM 852 C THR A 98 9.381 -5.550 3.252 1.00 0.00 C ATOM 853 O THR A 98 8.720 -6.577 3.074 1.00 0.00 O ATOM 854 CB THR A 98 9.933 -5.334 5.730 1.00 0.00 C ATOM 855 OG1 THR A 98 9.453 -3.988 5.872 1.00 0.00 O ATOM 856 CG2 THR A 98 10.970 -5.627 6.830 1.00 0.00 C ATOM 0 H THR A 98 11.414 -3.674 4.709 1.00 0.00 H new ATOM 0 HA THR A 98 11.050 -6.465 4.237 1.00 0.00 H new ATOM 0 HB THR A 98 9.120 -6.050 5.850 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.551 -4.001 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.512 -5.487 7.809 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.319 -6.656 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.815 -4.947 6.724 1.00 0.00 H new ATOM 864 N PHE A 99 9.157 -4.404 2.579 1.00 0.00 N ATOM 865 CA PHE A 99 8.208 -4.309 1.459 1.00 0.00 C ATOM 866 C PHE A 99 8.806 -5.045 0.248 1.00 0.00 C ATOM 867 O PHE A 99 9.905 -4.712 -0.214 1.00 0.00 O ATOM 868 CB PHE A 99 7.906 -2.824 1.124 1.00 0.00 C ATOM 869 CG PHE A 99 6.828 -2.606 0.059 1.00 0.00 C ATOM 870 CD1 PHE A 99 7.150 -2.576 -1.302 1.00 0.00 C ATOM 871 CD2 PHE A 99 5.496 -2.415 0.420 1.00 0.00 C ATOM 872 CE1 PHE A 99 6.177 -2.369 -2.258 1.00 0.00 C ATOM 873 CE2 PHE A 99 4.526 -2.205 -0.539 1.00 0.00 C ATOM 874 CZ PHE A 99 4.867 -2.183 -1.876 1.00 0.00 C ATOM 0 H PHE A 99 9.627 -3.525 2.797 1.00 0.00 H new ATOM 0 HA PHE A 99 7.261 -4.776 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.600 -2.316 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.828 -2.348 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.176 -2.717 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.219 -2.431 1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.442 -2.353 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.498 -2.058 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.105 -2.020 -2.624 1.00 0.00 H new ATOM 884 N LYS A 100 8.070 -6.044 -0.236 1.00 0.00 N ATOM 885 CA LYS A 100 8.471 -6.906 -1.358 1.00 0.00 C ATOM 886 C LYS A 100 7.206 -7.295 -2.172 1.00 0.00 C ATOM 887 O LYS A 100 6.082 -7.182 -1.648 1.00 0.00 O ATOM 888 CB LYS A 100 9.206 -8.171 -0.804 1.00 0.00 C ATOM 889 CG LYS A 100 8.331 -9.076 0.092 1.00 0.00 C ATOM 890 CD LYS A 100 9.039 -10.353 0.583 1.00 0.00 C ATOM 891 CE LYS A 100 8.103 -11.252 1.411 1.00 0.00 C ATOM 892 NZ LYS A 100 8.765 -12.514 1.811 1.00 0.00 N ATOM 0 H LYS A 100 7.156 -6.286 0.147 1.00 0.00 H new ATOM 0 HA LYS A 100 9.159 -6.379 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.574 -8.759 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.077 -7.849 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.001 -8.501 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.436 -9.360 -0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.413 -10.912 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.904 -10.078 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.777 -10.715 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.209 -11.479 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.485 -12.760 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.479 -13.276 1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.797 -12.393 1.769 1.00 0.00 H new ATOM 906 N PRO A 101 7.347 -7.730 -3.469 1.00 0.00 N ATOM 907 CA PRO A 101 6.212 -8.279 -4.255 1.00 0.00 C ATOM 908 C PRO A 101 5.639 -9.567 -3.618 1.00 0.00 C ATOM 909 O PRO A 101 6.193 -10.654 -3.802 1.00 0.00 O ATOM 910 CB PRO A 101 6.828 -8.542 -5.668 1.00 0.00 C ATOM 911 CG PRO A 101 8.078 -7.709 -5.706 1.00 0.00 C ATOM 912 CD PRO A 101 8.591 -7.675 -4.286 1.00 0.00 C ATOM 0 HA PRO A 101 5.362 -7.598 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.053 -9.599 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.137 -8.254 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.817 -8.143 -6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.867 -6.703 -6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.248 -8.519 -4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 101 9.163 -6.769 -4.087 1.00 0.00 H new ATOM 920 N GLY A 102 4.551 -9.419 -2.828 1.00 0.00 N ATOM 921 CA GLY A 102 3.915 -10.551 -2.135 1.00 0.00 C ATOM 922 C GLY A 102 3.855 -10.394 -0.614 1.00 0.00 C ATOM 923 O GLY A 102 3.378 -11.309 0.071 1.00 0.00 O ATOM 0 H GLY A 102 4.098 -8.521 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.902 -10.675 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.461 -11.464 -2.375 1.00 0.00 H new ATOM 927 N VAL A 103 4.350 -9.254 -0.071 1.00 0.00 N ATOM 928 CA VAL A 103 4.342 -9.004 1.394 1.00 0.00 C ATOM 929 C VAL A 103 2.932 -8.634 1.894 1.00 0.00 C ATOM 930 O VAL A 103 2.179 -7.939 1.210 1.00 0.00 O ATOM 931 CB VAL A 103 5.371 -7.876 1.823 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.958 -6.467 1.324 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.618 -7.880 3.354 1.00 0.00 C ATOM 0 H VAL A 103 4.757 -8.497 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 103 4.653 -9.939 1.860 1.00 0.00 H new ATOM 0 HB VAL A 103 6.313 -8.119 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.699 -5.735 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.900 -6.469 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.984 -6.205 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.328 -7.094 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.677 -7.703 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.023 -8.846 3.655 1.00 0.00 H new ATOM 943 N GLU A 104 2.588 -9.133 3.087 1.00 0.00 N ATOM 944 CA GLU A 104 1.367 -8.749 3.810 1.00 0.00 C ATOM 945 C GLU A 104 1.593 -7.349 4.424 1.00 0.00 C ATOM 946 O GLU A 104 2.674 -7.105 4.972 1.00 0.00 O ATOM 947 CB GLU A 104 1.094 -9.794 4.929 1.00 0.00 C ATOM 948 CG GLU A 104 -0.303 -9.733 5.566 1.00 0.00 C ATOM 949 CD GLU A 104 -1.401 -10.246 4.628 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.448 -11.469 4.381 1.00 0.00 O ATOM 951 OE2 GLU A 104 -2.207 -9.447 4.121 1.00 0.00 O ATOM 0 H GLU A 104 3.154 -9.821 3.583 1.00 0.00 H new ATOM 0 HA GLU A 104 0.508 -8.720 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.242 -10.791 4.514 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.838 -9.662 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.307 -10.324 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.524 -8.704 5.850 1.00 0.00 H new ATOM 958 N VAL A 105 0.597 -6.438 4.327 1.00 0.00 N ATOM 959 CA VAL A 105 0.728 -5.033 4.813 1.00 0.00 C ATOM 960 C VAL A 105 -0.550 -4.527 5.517 1.00 0.00 C ATOM 961 O VAL A 105 -1.651 -5.053 5.323 1.00 0.00 O ATOM 962 CB VAL A 105 1.100 -4.009 3.662 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.541 -4.227 3.143 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.072 -4.059 2.497 1.00 0.00 C ATOM 0 H VAL A 105 -0.313 -6.647 3.915 1.00 0.00 H new ATOM 0 HA VAL A 105 1.547 -5.072 5.531 1.00 0.00 H new ATOM 0 HB VAL A 105 1.057 -3.011 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.757 -3.505 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.247 -4.092 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.636 -5.237 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.360 -3.344 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.053 -5.062 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.919 -3.806 2.875 1.00 0.00 H new ATOM 974 N ILE A 106 -0.351 -3.461 6.305 1.00 0.00 N ATOM 975 CA ILE A 106 -1.379 -2.690 6.997 1.00 0.00 C ATOM 976 C ILE A 106 -1.150 -1.229 6.595 1.00 0.00 C ATOM 977 O ILE A 106 -0.153 -0.620 7.003 1.00 0.00 O ATOM 978 CB ILE A 106 -1.266 -2.807 8.569 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.315 -4.297 9.039 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.356 -1.958 9.272 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.161 -4.493 10.544 1.00 0.00 C ATOM 0 H ILE A 106 0.586 -3.098 6.483 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.365 -3.064 6.722 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.294 -2.407 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.263 -4.733 8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.525 -4.851 8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.254 -2.058 10.353 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.239 -0.911 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.342 -2.307 8.967 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.207 -5.556 10.779 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.200 -4.091 10.867 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.965 -3.971 11.063 1.00 0.00 H new ATOM 993 N ILE A 107 -2.032 -0.689 5.769 1.00 0.00 N ATOM 994 CA ILE A 107 -1.923 0.687 5.255 1.00 0.00 C ATOM 995 C ILE A 107 -3.042 1.544 5.853 1.00 0.00 C ATOM 996 O ILE A 107 -4.134 1.039 6.110 1.00 0.00 O ATOM 997 CB ILE A 107 -1.983 0.689 3.682 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.263 -0.057 3.177 1.00 0.00 C ATOM 999 CG2 ILE A 107 -0.695 0.065 3.073 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -3.407 -0.125 1.678 1.00 0.00 C ATOM 0 H ILE A 107 -2.853 -1.188 5.428 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.964 1.112 5.551 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.040 1.724 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.254 -1.072 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.142 0.439 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.763 0.079 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.174 0.642 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.592 -0.964 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -4.322 -0.660 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.452 0.885 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.551 -0.650 1.254 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.762 2.830 6.087 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.724 3.756 6.692 1.00 0.00 C ATOM 1014 C GLU A 108 -3.613 5.114 6.002 1.00 0.00 C ATOM 1015 O GLU A 108 -2.515 5.529 5.631 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.470 3.880 8.217 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.592 4.588 8.983 1.00 0.00 C ATOM 1018 CD GLU A 108 -4.334 4.659 10.494 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -4.416 3.614 11.176 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -4.056 5.758 11.014 1.00 0.00 O ATOM 0 H GLU A 108 -1.864 3.258 5.863 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.736 3.374 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.334 2.882 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.538 4.422 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.710 5.599 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.532 4.066 8.805 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.759 5.778 5.826 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.842 7.064 5.147 1.00 0.00 C ATOM 1029 C GLY A 109 -6.289 7.441 4.862 1.00 0.00 C ATOM 1030 O GLY A 109 -7.088 7.520 5.800 1.00 0.00 O ATOM 0 H GLY A 109 -5.660 5.431 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.377 7.834 5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.283 7.022 4.212 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.630 7.666 3.578 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.008 7.967 3.179 1.00 0.00 C ATOM 1036 C GLY A 110 -8.248 7.701 1.697 1.00 0.00 C ATOM 1037 O GLY A 110 -7.372 7.962 0.856 1.00 0.00 O ATOM 0 H GLY A 110 -5.966 7.644 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.696 7.364 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.229 9.011 3.400 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.430 7.143 1.385 1.00 0.00 N ATOM 1042 CA LEU A 111 -9.891 6.919 0.003 1.00 0.00 C ATOM 1043 C LEU A 111 -10.999 7.930 -0.331 1.00 0.00 C ATOM 1044 O LEU A 111 -11.932 8.125 0.457 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.404 5.456 -0.167 1.00 0.00 C ATOM 1046 CG LEU A 111 -10.988 5.072 -1.572 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.973 5.326 -2.712 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.495 3.605 -1.593 1.00 0.00 C ATOM 0 H LEU A 111 -10.098 6.832 2.090 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.059 7.064 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.580 4.779 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.175 5.277 0.582 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.843 5.725 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.420 5.046 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.706 6.383 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.077 4.728 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.893 3.372 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.669 2.931 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.280 3.481 -0.847 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.865 8.577 -1.495 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.872 9.507 -2.023 1.00 0.00 C ATOM 1062 C ALA A 112 -12.947 8.699 -2.790 1.00 0.00 C ATOM 1063 O ALA A 112 -12.580 7.812 -3.571 1.00 0.00 O ATOM 1064 CB ALA A 112 -11.207 10.553 -2.935 1.00 0.00 C ATOM 0 H ALA A 112 -10.051 8.470 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.349 10.043 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -11.965 11.235 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.468 11.116 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.716 10.050 -3.768 1.00 0.00 H new ATOM 1070 N PRO A 113 -14.291 8.963 -2.566 1.00 0.00 N ATOM 1071 CA PRO A 113 -15.400 8.205 -3.222 1.00 0.00 C ATOM 1072 C PRO A 113 -15.360 8.239 -4.767 1.00 0.00 C ATOM 1073 O PRO A 113 -15.772 7.279 -5.421 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.686 8.902 -2.694 1.00 0.00 C ATOM 1075 CG PRO A 113 -16.263 9.555 -1.422 1.00 0.00 C ATOM 1076 CD PRO A 113 -14.837 10.003 -1.650 1.00 0.00 C ATOM 0 HA PRO A 113 -15.336 7.144 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.063 9.633 -3.409 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -17.486 8.182 -2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.906 10.402 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -16.327 8.860 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.794 10.996 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.277 10.051 -0.716 1.00 0.00 H new ATOM 1084 N GLY A 114 -14.852 9.354 -5.320 1.00 0.00 N ATOM 1085 CA GLY A 114 -14.744 9.546 -6.772 1.00 0.00 C ATOM 1086 C GLY A 114 -13.427 9.035 -7.358 1.00 0.00 C ATOM 1087 O GLY A 114 -13.199 9.148 -8.565 1.00 0.00 O ATOM 0 H GLY A 114 -14.507 10.143 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.573 9.034 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.846 10.607 -6.999 1.00 0.00 H new ATOM 1091 N GLU A 115 -12.538 8.495 -6.501 1.00 0.00 N ATOM 1092 CA GLU A 115 -11.214 7.979 -6.921 1.00 0.00 C ATOM 1093 C GLU A 115 -11.089 6.461 -6.772 1.00 0.00 C ATOM 1094 O GLU A 115 -11.857 5.812 -6.058 1.00 0.00 O ATOM 1095 CB GLU A 115 -10.076 8.676 -6.139 1.00 0.00 C ATOM 1096 CG GLU A 115 -9.768 10.094 -6.635 1.00 0.00 C ATOM 1097 CD GLU A 115 -8.513 10.679 -5.999 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -7.412 10.114 -6.213 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -8.610 11.685 -5.272 1.00 0.00 O ATOM 0 H GLU A 115 -12.714 8.403 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.123 8.210 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -10.346 8.720 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.173 8.070 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.648 10.078 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.617 10.743 -6.418 1.00 0.00 H new ATOM 1106 N ASP A 116 -10.077 5.929 -7.476 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.743 4.503 -7.517 1.00 0.00 C ATOM 1108 C ASP A 116 -8.704 4.157 -6.440 1.00 0.00 C ATOM 1109 O ASP A 116 -8.821 3.137 -5.747 1.00 0.00 O ATOM 1110 CB ASP A 116 -9.166 4.152 -8.917 1.00 0.00 C ATOM 1111 CG ASP A 116 -9.987 4.727 -10.088 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -9.725 5.886 -10.504 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -10.891 4.037 -10.600 1.00 0.00 O ATOM 0 H ASP A 116 -9.453 6.499 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.648 3.926 -7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -8.144 4.526 -8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -9.116 3.068 -9.018 1.00 0.00 H new ATOM 1118 N THR A 117 -7.678 5.023 -6.315 1.00 0.00 N ATOM 1119 CA THR A 117 -6.478 4.725 -5.519 1.00 0.00 C ATOM 1120 C THR A 117 -6.626 5.201 -4.055 1.00 0.00 C ATOM 1121 O THR A 117 -7.024 6.345 -3.793 1.00 0.00 O ATOM 1122 CB THR A 117 -5.185 5.325 -6.181 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.018 4.832 -5.515 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.155 6.865 -6.181 1.00 0.00 C ATOM 0 H THR A 117 -7.661 5.940 -6.760 1.00 0.00 H new ATOM 0 HA THR A 117 -6.370 3.641 -5.500 1.00 0.00 H new ATOM 0 HB THR A 117 -5.199 5.004 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.273 4.786 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.235 7.211 -6.653 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.013 7.246 -6.736 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.196 7.230 -5.155 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.345 4.288 -3.111 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.307 4.580 -1.672 1.00 0.00 C ATOM 1134 C PHE A 118 -4.982 5.291 -1.332 1.00 0.00 C ATOM 1135 O PHE A 118 -3.912 4.743 -1.582 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.440 3.259 -0.861 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.236 3.437 0.646 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -7.240 3.974 1.444 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -5.035 3.076 1.259 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -7.053 4.140 2.797 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -4.854 3.246 2.615 1.00 0.00 C ATOM 1142 CZ PHE A 118 -5.865 3.774 3.378 1.00 0.00 C ATOM 0 H PHE A 118 -6.135 3.314 -3.331 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.139 5.233 -1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.428 2.833 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.712 2.539 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -8.179 4.265 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.237 2.658 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -7.843 4.559 3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -3.919 2.964 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 118 -5.725 3.902 4.441 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.058 6.480 -0.725 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.862 7.251 -0.367 1.00 0.00 C ATOM 1154 C LYS A 119 -3.396 6.841 1.034 1.00 0.00 C ATOM 1155 O LYS A 119 -3.990 7.249 2.034 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.136 8.769 -0.449 1.00 0.00 C ATOM 1157 CG LYS A 119 -4.480 9.268 -1.865 1.00 0.00 C ATOM 1158 CD LYS A 119 -4.599 10.804 -1.934 1.00 0.00 C ATOM 1159 CE LYS A 119 -5.083 11.302 -3.300 1.00 0.00 C ATOM 1160 NZ LYS A 119 -6.463 10.856 -3.584 1.00 0.00 N ATOM 0 H LYS A 119 -5.937 6.930 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.067 7.032 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.959 9.016 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.259 9.306 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.711 8.934 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.419 8.819 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.289 11.145 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.629 11.249 -1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.039 12.391 -3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.414 10.936 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.460 10.221 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.841 10.349 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.060 11.683 -3.786 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.362 5.989 1.084 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.772 5.507 2.337 1.00 0.00 C ATOM 1176 C ALA A 120 -0.741 6.524 2.847 1.00 0.00 C ATOM 1177 O ALA A 120 0.339 6.658 2.266 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.131 4.118 2.131 1.00 0.00 C ATOM 0 H ALA A 120 -1.910 5.614 0.250 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.555 5.403 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.698 3.774 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.893 3.411 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.349 4.187 1.374 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.104 7.279 3.907 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.172 8.201 4.595 1.00 0.00 C ATOM 1186 C ARG A 121 0.890 7.401 5.386 1.00 0.00 C ATOM 1187 O ARG A 121 1.989 7.900 5.649 1.00 0.00 O ATOM 1188 CB ARG A 121 -0.952 9.182 5.528 1.00 0.00 C ATOM 1189 CG ARG A 121 -1.757 8.507 6.666 1.00 0.00 C ATOM 1190 CD ARG A 121 -2.693 9.468 7.429 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.964 10.499 8.193 1.00 0.00 N ATOM 1192 CZ ARG A 121 -2.533 11.539 8.823 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -3.844 11.756 8.737 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -1.780 12.372 9.514 1.00 0.00 N ATOM 0 H ARG A 121 -2.042 7.268 4.307 1.00 0.00 H new ATOM 0 HA ARG A 121 0.344 8.799 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.241 9.879 5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.638 9.770 4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.351 7.696 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.060 8.058 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.362 9.955 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.318 8.892 8.112 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.949 10.415 8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.430 11.128 8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.262 12.550 9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.772 12.224 9.567 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.205 13.164 9.995 1.00 0.00 H new ATOM 1208 N THR A 122 0.541 6.147 5.745 1.00 0.00 N ATOM 1209 CA THR A 122 1.424 5.217 6.468 1.00 0.00 C ATOM 1210 C THR A 122 1.308 3.811 5.848 1.00 0.00 C ATOM 1211 O THR A 122 0.263 3.457 5.282 1.00 0.00 O ATOM 1212 CB THR A 122 1.062 5.135 7.988 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.333 4.825 8.130 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.383 6.434 8.749 1.00 0.00 C ATOM 0 H THR A 122 -0.375 5.750 5.536 1.00 0.00 H new ATOM 0 HA THR A 122 2.444 5.592 6.380 1.00 0.00 H new ATOM 0 HB THR A 122 1.677 4.348 8.425 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.635 5.079 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.111 6.318 9.798 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.449 6.647 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.816 7.259 8.316 1.00 0.00 H new ATOM 1222 N LEU A 123 2.387 3.026 5.974 1.00 0.00 N ATOM 1223 CA LEU A 123 2.439 1.619 5.540 1.00 0.00 C ATOM 1224 C LEU A 123 3.204 0.824 6.604 1.00 0.00 C ATOM 1225 O LEU A 123 4.236 1.284 7.098 1.00 0.00 O ATOM 1226 CB LEU A 123 3.101 1.521 4.132 1.00 0.00 C ATOM 1227 CG LEU A 123 3.167 0.099 3.448 1.00 0.00 C ATOM 1228 CD1 LEU A 123 3.040 0.219 1.912 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.460 -0.677 3.819 1.00 0.00 C ATOM 0 H LEU A 123 3.261 3.353 6.386 1.00 0.00 H new ATOM 0 HA LEU A 123 1.438 1.198 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.563 2.191 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.119 1.901 4.213 1.00 0.00 H new ATOM 0 HG LEU A 123 2.321 -0.472 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.088 -0.774 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.087 0.684 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.855 0.831 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.457 -1.648 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.331 -0.108 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.501 -0.821 4.899 1.00 0.00 H new ATOM 1241 N MET A 124 2.678 -0.357 6.950 1.00 0.00 N ATOM 1242 CA MET A 124 3.228 -1.227 8.001 1.00 0.00 C ATOM 1243 C MET A 124 3.220 -2.675 7.496 1.00 0.00 C ATOM 1244 O MET A 124 2.166 -3.297 7.439 1.00 0.00 O ATOM 1245 CB MET A 124 2.353 -1.111 9.281 1.00 0.00 C ATOM 1246 CG MET A 124 2.854 -1.912 10.499 1.00 0.00 C ATOM 1247 SD MET A 124 1.597 -2.116 11.786 1.00 0.00 S ATOM 1248 CE MET A 124 0.909 -0.460 11.934 1.00 0.00 C ATOM 0 H MET A 124 1.846 -0.742 6.502 1.00 0.00 H new ATOM 0 HA MET A 124 4.248 -0.926 8.240 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.287 -0.060 9.561 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.342 -1.441 9.041 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.187 -2.895 10.167 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.722 -1.408 10.925 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.245 -0.418 12.797 1.00 0.00 H new ATOM 0 HE2 MET A 124 1.717 0.260 12.063 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.348 -0.217 11.032 1.00 0.00 H new ATOM 1258 N THR A 125 4.386 -3.201 7.126 1.00 0.00 N ATOM 1259 CA THR A 125 4.507 -4.583 6.655 1.00 0.00 C ATOM 1260 C THR A 125 4.289 -5.539 7.842 1.00 0.00 C ATOM 1261 O THR A 125 4.977 -5.445 8.864 1.00 0.00 O ATOM 1262 CB THR A 125 5.904 -4.824 6.000 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.935 -4.419 6.912 1.00 0.00 O ATOM 1264 CG2 THR A 125 6.060 -4.060 4.663 1.00 0.00 C ATOM 0 H THR A 125 5.268 -2.688 7.143 1.00 0.00 H new ATOM 0 HA THR A 125 3.750 -4.773 5.895 1.00 0.00 H new ATOM 0 HB THR A 125 5.990 -5.888 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 125 6.621 -4.536 7.833 1.00 0.00 H new ATOM 0 HG21 THR A 125 7.047 -4.258 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.295 -4.393 3.962 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.949 -2.990 4.840 1.00 0.00 H new ATOM 1272 N LYS A 126 3.303 -6.428 7.695 1.00 0.00 N ATOM 1273 CA LYS A 126 2.879 -7.363 8.745 1.00 0.00 C ATOM 1274 C LYS A 126 3.898 -8.517 8.848 1.00 0.00 C ATOM 1275 O LYS A 126 4.110 -9.082 9.922 1.00 0.00 O ATOM 1276 CB LYS A 126 1.459 -7.897 8.406 1.00 0.00 C ATOM 1277 CG LYS A 126 0.788 -8.726 9.520 1.00 0.00 C ATOM 1278 CD LYS A 126 0.541 -7.893 10.797 1.00 0.00 C ATOM 1279 CE LYS A 126 -0.235 -8.657 11.882 1.00 0.00 C ATOM 1280 NZ LYS A 126 -0.460 -7.818 13.091 1.00 0.00 N ATOM 0 H LYS A 126 2.768 -6.521 6.832 1.00 0.00 H new ATOM 0 HA LYS A 126 2.839 -6.857 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 126 0.816 -7.049 8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.523 -8.510 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.161 -9.120 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.417 -9.582 9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.500 -7.572 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.011 -6.991 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.195 -8.983 11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.316 -9.555 12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.986 -8.366 13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.457 -7.527 13.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.008 -6.973 12.830 1.00 0.00 H new ATOM 1294 N CYS A 127 4.511 -8.855 7.696 1.00 0.00 N ATOM 1295 CA CYS A 127 5.596 -9.837 7.609 1.00 0.00 C ATOM 1296 C CYS A 127 6.949 -9.139 7.900 1.00 0.00 C ATOM 1297 O CYS A 127 7.372 -8.280 7.114 1.00 0.00 O ATOM 1298 CB CYS A 127 5.608 -10.472 6.198 1.00 0.00 C ATOM 1299 SG CYS A 127 6.966 -11.629 5.901 1.00 0.00 S ATOM 0 H CYS A 127 4.260 -8.447 6.795 1.00 0.00 H new ATOM 0 HA CYS A 127 5.440 -10.624 8.346 1.00 0.00 H new ATOM 0 HB2 CYS A 127 4.664 -10.993 6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 127 5.659 -9.675 5.456 1.00 0.00 H new ATOM 0 HG CYS A 127 6.878 -12.101 4.693 1.00 0.00 H new ATOM 1305 N PRO A 128 7.629 -9.454 9.052 1.00 0.00 N ATOM 1306 CA PRO A 128 8.957 -8.902 9.362 1.00 0.00 C ATOM 1307 C PRO A 128 10.094 -9.688 8.661 1.00 0.00 C ATOM 1308 O PRO A 128 10.423 -10.818 9.047 1.00 0.00 O ATOM 1309 CB PRO A 128 9.018 -9.002 10.909 1.00 0.00 C ATOM 1310 CG PRO A 128 8.185 -10.208 11.249 1.00 0.00 C ATOM 1311 CD PRO A 128 7.142 -10.341 10.148 1.00 0.00 C ATOM 0 HA PRO A 128 9.097 -7.883 9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.044 -9.119 11.258 1.00 0.00 H new ATOM 0 HB3 PRO A 128 8.622 -8.102 11.380 1.00 0.00 H new ATOM 0 HG2 PRO A 128 8.804 -11.103 11.306 1.00 0.00 H new ATOM 0 HG3 PRO A 128 7.708 -10.088 12.222 1.00 0.00 H new ATOM 0 HD2 PRO A 128 7.052 -11.374 9.811 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.157 -10.033 10.498 1.00 0.00 H new ATOM 1319 N LEU A 129 10.649 -9.092 7.590 1.00 0.00 N ATOM 1320 CA LEU A 129 11.822 -9.638 6.877 1.00 0.00 C ATOM 1321 C LEU A 129 13.109 -9.196 7.593 1.00 0.00 C ATOM 1322 O LEU A 129 13.183 -8.075 8.123 1.00 0.00 O ATOM 1323 CB LEU A 129 11.845 -9.200 5.377 1.00 0.00 C ATOM 1324 CG LEU A 129 10.789 -9.854 4.427 1.00 0.00 C ATOM 1325 CD1 LEU A 129 10.886 -11.393 4.448 1.00 0.00 C ATOM 1326 CD2 LEU A 129 9.353 -9.376 4.727 1.00 0.00 C ATOM 0 H LEU A 129 10.299 -8.220 7.194 1.00 0.00 H new ATOM 0 HA LEU A 129 11.755 -10.726 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.711 -8.119 5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 129 12.837 -9.413 4.978 1.00 0.00 H new ATOM 0 HG LEU A 129 11.027 -9.520 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 129 10.138 -11.814 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 129 11.880 -11.699 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.709 -11.755 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.658 -9.859 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.090 -9.636 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.296 -8.295 4.600 1.00 0.00 H new ATOM 1338 N GLU A 130 14.110 -10.087 7.602 1.00 0.00 N ATOM 1339 CA GLU A 130 15.404 -9.842 8.251 1.00 0.00 C ATOM 1340 C GLU A 130 16.329 -9.148 7.218 1.00 0.00 C ATOM 1341 O GLU A 130 16.964 -9.854 6.401 1.00 0.00 O ATOM 1342 CB GLU A 130 15.992 -11.202 8.784 1.00 0.00 C ATOM 1343 CG GLU A 130 16.852 -11.112 10.069 1.00 0.00 C ATOM 1344 CD GLU A 130 18.147 -10.287 9.935 1.00 0.00 C ATOM 1345 OE1 GLU A 130 18.103 -9.055 10.134 1.00 0.00 O ATOM 1346 OE2 GLU A 130 19.219 -10.870 9.640 1.00 0.00 O ATOM 0 H GLU A 130 14.044 -11.002 7.157 1.00 0.00 H new ATOM 0 HA GLU A 130 15.304 -9.187 9.116 1.00 0.00 H new ATOM 0 HB2 GLU A 130 15.163 -11.884 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 130 16.598 -11.647 7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 130 16.245 -10.679 10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 130 17.115 -12.122 10.383 1.00 0.00 H new TER 1353 GLU A 130