USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 22 THR OG1 : rot -47:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.289 K(o=0.29,f=-3.9!) USER MOD Set 2.1: A 7 THR OG1 : rot -170:sc= 0.476 USER MOD Set 2.2: A 9 THR OG1 : rot -39:sc= 0.327 USER MOD Single : A 1 MET CE :methyl 151:sc= -1.6 (180deg=-3.46!) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.879 (180deg=0.647) USER MOD Single : A 2 GLN : amide:sc= -0.647 K(o=-0.65,f=-2.3) USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= -0.0543 (180deg=-0.544) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 2.43 (180deg=0.481) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0555) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -3.7! C(o=-3.7!,f=-8.8!) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0367) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 55 THR OG1 : rot -50:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.545 USER MOD Single : A 60 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 86:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.16! K(o=-1.2!,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.921 -19.908 -1.885 1.00 0.00 N ATOM 2 CA MET A 1 3.527 -19.449 -3.162 1.00 0.00 C ATOM 3 C MET A 1 4.397 -18.215 -2.947 1.00 0.00 C ATOM 4 O MET A 1 4.382 -17.611 -1.874 1.00 0.00 O ATOM 5 CB MET A 1 2.403 -19.136 -4.151 1.00 0.00 C ATOM 6 CG MET A 1 1.373 -18.158 -3.611 1.00 0.00 C ATOM 7 SD MET A 1 0.725 -17.058 -4.883 1.00 0.00 S ATOM 8 CE MET A 1 -0.708 -16.382 -4.047 1.00 0.00 C ATOM 0 H1 MET A 1 2.206 -20.637 -2.082 1.00 0.00 H new ATOM 0 H2 MET A 1 3.662 -20.305 -1.272 1.00 0.00 H new ATOM 0 H3 MET A 1 2.470 -19.103 -1.405 1.00 0.00 H new ATOM 0 HA MET A 1 4.167 -20.238 -3.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.837 -18.727 -5.064 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.902 -20.065 -4.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.549 -18.714 -3.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.824 -17.563 -2.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.910 -15.380 -4.425 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.572 -17.021 -4.231 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.515 -16.334 -2.975 1.00 0.00 H new ATOM 20 N GLN A 2 5.155 -17.846 -3.974 1.00 0.00 N ATOM 21 CA GLN A 2 6.033 -16.683 -3.898 1.00 0.00 C ATOM 22 C GLN A 2 5.468 -15.520 -4.708 1.00 0.00 C ATOM 23 O GLN A 2 5.018 -15.700 -5.840 1.00 0.00 O ATOM 24 CB GLN A 2 7.430 -17.041 -4.404 1.00 0.00 C ATOM 25 CG GLN A 2 8.526 -16.815 -3.376 1.00 0.00 C ATOM 26 CD GLN A 2 8.252 -17.528 -2.066 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.457 -18.467 -2.012 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.909 -17.084 -1.002 1.00 0.00 N ATOM 0 H GLN A 2 5.179 -18.335 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 2 6.099 -16.376 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.440 -18.087 -4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.649 -16.448 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.477 -17.161 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.629 -15.746 -3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.559 -16.303 -1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.765 -17.524 -0.093 1.00 0.00 H new ATOM 37 N LEU A 3 5.495 -14.328 -4.121 1.00 0.00 N ATOM 38 CA LEU A 3 4.986 -13.136 -4.788 1.00 0.00 C ATOM 39 C LEU A 3 5.954 -11.969 -4.626 1.00 0.00 C ATOM 40 O LEU A 3 6.538 -11.777 -3.560 1.00 0.00 O ATOM 41 CB LEU A 3 3.614 -12.758 -4.229 1.00 0.00 C ATOM 42 CG LEU A 3 2.565 -13.870 -4.280 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.497 -13.645 -3.222 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.941 -13.949 -5.665 1.00 0.00 C ATOM 0 H LEU A 3 5.864 -14.162 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 3 4.887 -13.359 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.735 -12.441 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.237 -11.898 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 3 3.058 -14.820 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.759 -14.446 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.959 -13.640 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.006 -12.688 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.197 -14.745 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.462 -12.999 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.716 -14.159 -6.402 1.00 0.00 H new ATOM 56 N PHE A 4 6.120 -11.192 -5.692 1.00 0.00 N ATOM 57 CA PHE A 4 7.018 -10.044 -5.669 1.00 0.00 C ATOM 58 C PHE A 4 6.230 -8.737 -5.634 1.00 0.00 C ATOM 59 O PHE A 4 5.511 -8.410 -6.577 1.00 0.00 O ATOM 60 CB PHE A 4 7.940 -10.065 -6.889 1.00 0.00 C ATOM 61 CG PHE A 4 8.284 -11.451 -7.355 1.00 0.00 C ATOM 62 CD1 PHE A 4 9.238 -12.207 -6.683 1.00 0.00 C ATOM 63 CD2 PHE A 4 7.656 -11.999 -8.467 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.558 -13.486 -7.112 1.00 0.00 C ATOM 65 CE2 PHE A 4 7.971 -13.278 -8.900 1.00 0.00 C ATOM 66 CZ PHE A 4 8.924 -14.022 -8.222 1.00 0.00 C ATOM 0 H PHE A 4 5.644 -11.337 -6.582 1.00 0.00 H new ATOM 0 HA PHE A 4 7.623 -10.107 -4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.462 -9.524 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.860 -9.532 -6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.735 -11.794 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.914 -11.422 -9.000 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.300 -14.064 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.475 -13.694 -9.764 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.172 -15.018 -8.558 1.00 0.00 H new ATOM 76 N VAL A 5 6.373 -7.996 -4.540 1.00 0.00 N ATOM 77 CA VAL A 5 5.677 -6.726 -4.383 1.00 0.00 C ATOM 78 C VAL A 5 6.650 -5.554 -4.447 1.00 0.00 C ATOM 79 O VAL A 5 7.422 -5.322 -3.516 1.00 0.00 O ATOM 80 CB VAL A 5 4.911 -6.666 -3.048 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.842 -5.587 -3.091 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.299 -8.021 -2.722 1.00 0.00 C ATOM 0 H VAL A 5 6.964 -8.254 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 5 4.967 -6.652 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 5 5.617 -6.412 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.313 -5.561 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.309 -4.619 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.136 -5.806 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.762 -7.959 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.607 -8.308 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.089 -8.768 -2.643 1.00 0.00 H new ATOM 92 N LYS A 6 6.610 -4.817 -5.552 1.00 0.00 N ATOM 93 CA LYS A 6 7.488 -3.668 -5.739 1.00 0.00 C ATOM 94 C LYS A 6 6.808 -2.383 -5.276 1.00 0.00 C ATOM 95 O LYS A 6 5.602 -2.210 -5.450 1.00 0.00 O ATOM 96 CB LYS A 6 7.895 -3.541 -7.208 1.00 0.00 C ATOM 97 CG LYS A 6 6.800 -2.967 -8.093 1.00 0.00 C ATOM 98 CD LYS A 6 7.266 -2.818 -9.532 1.00 0.00 C ATOM 99 CE LYS A 6 8.216 -1.643 -9.691 1.00 0.00 C ATOM 100 NZ LYS A 6 7.561 -0.351 -9.342 1.00 0.00 N ATOM 0 H LYS A 6 5.978 -4.995 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 6 8.382 -3.825 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.778 -2.906 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.178 -4.524 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.925 -3.616 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.491 -1.995 -7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.762 -3.734 -9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.403 -2.680 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.088 -1.792 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.575 -1.602 -10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.962 0.410 -9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.539 -0.421 -9.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.724 -0.139 -8.337 1.00 0.00 H new ATOM 114 N THR A 7 7.591 -1.485 -4.687 1.00 0.00 N ATOM 115 CA THR A 7 7.065 -0.215 -4.200 1.00 0.00 C ATOM 116 C THR A 7 7.430 0.923 -5.147 1.00 0.00 C ATOM 117 O THR A 7 7.926 0.691 -6.250 1.00 0.00 O ATOM 118 CB THR A 7 7.603 0.079 -2.799 1.00 0.00 C ATOM 119 OG1 THR A 7 9.015 0.185 -2.816 1.00 0.00 O ATOM 120 CG2 THR A 7 7.234 -0.980 -1.782 1.00 0.00 C ATOM 0 H THR A 7 8.592 -1.613 -4.535 1.00 0.00 H new ATOM 0 HA THR A 7 5.979 -0.292 -4.156 1.00 0.00 H new ATOM 0 HB THR A 7 7.140 1.021 -2.504 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.352 0.215 -1.896 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.647 -0.710 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.149 -1.051 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.641 -1.942 -2.094 1.00 0.00 H new ATOM 128 N LEU A 8 7.179 2.153 -4.711 1.00 0.00 N ATOM 129 CA LEU A 8 7.481 3.328 -5.521 1.00 0.00 C ATOM 130 C LEU A 8 8.947 3.730 -5.379 1.00 0.00 C ATOM 131 O LEU A 8 9.408 4.667 -6.031 1.00 0.00 O ATOM 132 CB LEU A 8 6.579 4.495 -5.119 1.00 0.00 C ATOM 133 CG LEU A 8 5.770 5.113 -6.261 1.00 0.00 C ATOM 134 CD1 LEU A 8 6.666 5.963 -7.148 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.085 4.026 -7.076 1.00 0.00 C ATOM 0 H LEU A 8 6.767 2.362 -3.802 1.00 0.00 H new ATOM 0 HA LEU A 8 7.294 3.075 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.888 4.151 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.196 5.273 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 8 5.002 5.757 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.075 6.395 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.111 6.763 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.456 5.341 -7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.514 4.483 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.837 3.358 -7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.413 3.458 -6.433 1.00 0.00 H new ATOM 147 N THR A 9 9.674 3.018 -4.523 1.00 0.00 N ATOM 148 CA THR A 9 11.086 3.306 -4.300 1.00 0.00 C ATOM 149 C THR A 9 11.970 2.287 -5.013 1.00 0.00 C ATOM 150 O THR A 9 13.111 2.053 -4.614 1.00 0.00 O ATOM 151 CB THR A 9 11.397 3.307 -2.802 1.00 0.00 C ATOM 152 OG1 THR A 9 11.194 2.020 -2.247 1.00 0.00 O ATOM 153 CG2 THR A 9 10.552 4.286 -2.016 1.00 0.00 C ATOM 0 H THR A 9 9.309 2.240 -3.974 1.00 0.00 H new ATOM 0 HA THR A 9 11.298 4.293 -4.710 1.00 0.00 H new ATOM 0 HB THR A 9 12.441 3.610 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.394 1.615 -2.643 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.823 4.236 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.725 5.296 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.498 4.032 -2.132 1.00 0.00 H new ATOM 161 N GLY A 10 11.436 1.686 -6.071 1.00 0.00 N ATOM 162 CA GLY A 10 12.190 0.701 -6.824 1.00 0.00 C ATOM 163 C GLY A 10 12.729 -0.413 -5.947 1.00 0.00 C ATOM 164 O GLY A 10 13.889 -0.806 -6.074 1.00 0.00 O ATOM 0 H GLY A 10 10.494 1.864 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.552 0.274 -7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.020 1.193 -7.331 1.00 0.00 H new ATOM 168 N LYS A 11 11.884 -0.924 -5.057 1.00 0.00 N ATOM 169 CA LYS A 11 12.283 -2.000 -4.157 1.00 0.00 C ATOM 170 C LYS A 11 11.407 -3.232 -4.364 1.00 0.00 C ATOM 171 O LYS A 11 10.183 -3.158 -4.270 1.00 0.00 O ATOM 172 CB LYS A 11 12.195 -1.536 -2.701 1.00 0.00 C ATOM 173 CG LYS A 11 13.334 -2.042 -1.832 1.00 0.00 C ATOM 174 CD LYS A 11 12.907 -2.181 -0.379 1.00 0.00 C ATOM 175 CE LYS A 11 11.790 -3.198 -0.221 1.00 0.00 C ATOM 176 NZ LYS A 11 11.969 -4.035 0.997 1.00 0.00 N ATOM 0 H LYS A 11 10.920 -0.611 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 11 13.315 -2.266 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.186 -0.446 -2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.249 -1.873 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.677 -3.007 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.178 -1.355 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.763 -2.482 0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.575 -1.213 -0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.832 -2.680 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.757 -3.840 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.186 -4.716 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.871 -4.549 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.975 -3.425 1.839 1.00 0.00 H new ATOM 190 N THR A 12 12.044 -4.364 -4.646 1.00 0.00 N ATOM 191 CA THR A 12 11.322 -5.611 -4.867 1.00 0.00 C ATOM 192 C THR A 12 11.268 -6.445 -3.592 1.00 0.00 C ATOM 193 O THR A 12 12.298 -6.869 -3.070 1.00 0.00 O ATOM 194 CB THR A 12 11.981 -6.417 -5.988 1.00 0.00 C ATOM 195 OG1 THR A 12 12.503 -5.556 -6.985 1.00 0.00 O ATOM 196 CG2 THR A 12 11.036 -7.384 -6.666 1.00 0.00 C ATOM 0 H THR A 12 13.058 -4.443 -4.727 1.00 0.00 H new ATOM 0 HA THR A 12 10.302 -5.361 -5.159 1.00 0.00 H new ATOM 0 HB THR A 12 12.774 -6.988 -5.505 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.922 -6.090 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.568 -7.923 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.654 -8.094 -5.933 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.204 -6.833 -7.104 1.00 0.00 H new ATOM 204 N LEU A 13 10.057 -6.677 -3.100 1.00 0.00 N ATOM 205 CA LEU A 13 9.860 -7.463 -1.889 1.00 0.00 C ATOM 206 C LEU A 13 9.302 -8.843 -2.225 1.00 0.00 C ATOM 207 O LEU A 13 8.319 -8.963 -2.956 1.00 0.00 O ATOM 208 CB LEU A 13 8.917 -6.728 -0.929 1.00 0.00 C ATOM 209 CG LEU A 13 8.030 -7.628 -0.066 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.875 -8.427 0.913 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.989 -6.801 0.673 1.00 0.00 C ATOM 0 H LEU A 13 9.195 -6.331 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 13 10.827 -7.594 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.515 -6.097 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.277 -6.066 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 13 7.509 -8.328 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.228 -9.062 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.580 -9.049 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.424 -7.744 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.367 -7.458 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.489 -6.077 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.363 -6.275 -0.048 1.00 0.00 H new ATOM 223 N THR A 14 9.936 -9.880 -1.689 1.00 0.00 N ATOM 224 CA THR A 14 9.501 -11.250 -1.935 1.00 0.00 C ATOM 225 C THR A 14 8.867 -11.853 -0.685 1.00 0.00 C ATOM 226 O THR A 14 9.545 -12.084 0.317 1.00 0.00 O ATOM 227 CB THR A 14 10.682 -12.109 -2.388 1.00 0.00 C ATOM 228 OG1 THR A 14 11.502 -11.394 -3.297 1.00 0.00 O ATOM 229 CG2 THR A 14 10.262 -13.396 -3.062 1.00 0.00 C ATOM 0 H THR A 14 10.752 -9.798 -1.082 1.00 0.00 H new ATOM 0 HA THR A 14 8.752 -11.230 -2.726 1.00 0.00 H new ATOM 0 HB THR A 14 11.226 -12.357 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.253 -11.959 -3.574 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.148 -13.957 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.669 -13.993 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.666 -13.166 -3.945 1.00 0.00 H new ATOM 237 N VAL A 15 7.564 -12.106 -0.754 1.00 0.00 N ATOM 238 CA VAL A 15 6.839 -12.683 0.371 1.00 0.00 C ATOM 239 C VAL A 15 6.158 -13.988 -0.027 1.00 0.00 C ATOM 240 O VAL A 15 5.751 -14.162 -1.176 1.00 0.00 O ATOM 241 CB VAL A 15 5.776 -11.710 0.914 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.418 -10.658 1.805 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.015 -11.057 -0.231 1.00 0.00 C ATOM 0 H VAL A 15 6.990 -11.921 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 15 7.573 -12.880 1.152 1.00 0.00 H new ATOM 0 HB VAL A 15 5.066 -12.277 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.651 -9.980 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.912 -11.145 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.152 -10.093 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.268 -10.373 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.711 -10.504 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.520 -11.826 -0.824 1.00 0.00 H new ATOM 253 N GLU A 16 6.040 -14.905 0.927 1.00 0.00 N ATOM 254 CA GLU A 16 5.410 -16.195 0.675 1.00 0.00 C ATOM 255 C GLU A 16 4.032 -16.265 1.323 1.00 0.00 C ATOM 256 O GLU A 16 3.887 -16.034 2.523 1.00 0.00 O ATOM 257 CB GLU A 16 6.289 -17.332 1.200 1.00 0.00 C ATOM 258 CG GLU A 16 7.492 -16.857 2.002 1.00 0.00 C ATOM 259 CD GLU A 16 8.316 -18.004 2.552 1.00 0.00 C ATOM 260 OE1 GLU A 16 7.979 -19.171 2.261 1.00 0.00 O ATOM 261 OE2 GLU A 16 9.300 -17.735 3.272 1.00 0.00 O ATOM 0 H GLU A 16 6.373 -14.778 1.883 1.00 0.00 H new ATOM 0 HA GLU A 16 5.292 -16.305 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.683 -17.988 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.638 -17.928 0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.122 -16.233 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.150 -16.232 2.827 1.00 0.00 H new ATOM 268 N LEU A 17 3.022 -16.584 0.521 1.00 0.00 N ATOM 269 CA LEU A 17 1.657 -16.684 1.018 1.00 0.00 C ATOM 270 C LEU A 17 0.869 -17.737 0.249 1.00 0.00 C ATOM 271 O LEU A 17 1.433 -18.508 -0.527 1.00 0.00 O ATOM 272 CB LEU A 17 0.953 -15.333 0.912 1.00 0.00 C ATOM 273 CG LEU A 17 0.894 -14.540 2.215 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.507 -13.166 2.023 1.00 0.00 C ATOM 275 CD2 LEU A 17 -0.539 -14.425 2.704 1.00 0.00 C ATOM 0 H LEU A 17 3.124 -16.777 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 17 1.704 -16.984 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.462 -14.731 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.064 -15.496 0.555 1.00 0.00 H new ATOM 0 HG LEU A 17 1.470 -15.072 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.458 -12.612 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.548 -13.271 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.956 -12.626 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.562 -13.857 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.140 -13.914 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.945 -15.421 2.878 1.00 0.00 H new ATOM 287 N GLU A 18 -0.441 -17.761 0.469 1.00 0.00 N ATOM 288 CA GLU A 18 -1.313 -18.715 -0.203 1.00 0.00 C ATOM 289 C GLU A 18 -2.544 -18.015 -0.769 1.00 0.00 C ATOM 290 O GLU A 18 -3.034 -17.040 -0.198 1.00 0.00 O ATOM 291 CB GLU A 18 -1.738 -19.821 0.764 1.00 0.00 C ATOM 292 CG GLU A 18 -0.688 -20.160 1.803 1.00 0.00 C ATOM 293 CD GLU A 18 -1.208 -20.037 3.222 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.714 -18.951 3.575 1.00 0.00 O ATOM 295 OE2 GLU A 18 -1.108 -21.024 3.979 1.00 0.00 O ATOM 0 H GLU A 18 -0.922 -17.129 1.109 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.758 -19.161 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.653 -19.516 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.975 -20.719 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.334 -21.177 1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.170 -19.499 1.676 1.00 0.00 H new ATOM 302 N PRO A 19 -3.060 -18.508 -1.903 1.00 0.00 N ATOM 303 CA PRO A 19 -4.241 -17.932 -2.553 1.00 0.00 C ATOM 304 C PRO A 19 -5.411 -17.766 -1.589 1.00 0.00 C ATOM 305 O PRO A 19 -6.349 -17.017 -1.860 1.00 0.00 O ATOM 306 CB PRO A 19 -4.583 -18.955 -3.637 1.00 0.00 C ATOM 307 CG PRO A 19 -3.292 -19.638 -3.935 1.00 0.00 C ATOM 308 CD PRO A 19 -2.530 -19.670 -2.639 1.00 0.00 C ATOM 0 HA PRO A 19 -4.046 -16.931 -2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.335 -19.664 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.989 -18.470 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.462 -20.646 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.734 -19.101 -4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.699 -20.600 -2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.456 -19.586 -2.802 1.00 0.00 H new ATOM 316 N SER A 20 -5.351 -18.474 -0.465 1.00 0.00 N ATOM 317 CA SER A 20 -6.408 -18.408 0.537 1.00 0.00 C ATOM 318 C SER A 20 -6.347 -17.097 1.317 1.00 0.00 C ATOM 319 O SER A 20 -7.366 -16.612 1.809 1.00 0.00 O ATOM 320 CB SER A 20 -6.297 -19.591 1.500 1.00 0.00 C ATOM 321 OG SER A 20 -5.228 -19.412 2.411 1.00 0.00 O ATOM 0 H SER A 20 -4.582 -19.100 -0.226 1.00 0.00 H new ATOM 0 HA SER A 20 -7.366 -18.454 0.019 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.231 -19.705 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.146 -20.511 0.935 1.00 0.00 H new ATOM 0 HG SER A 20 -5.181 -20.182 3.016 1.00 0.00 H new ATOM 327 N ASP A 21 -5.150 -16.528 1.429 1.00 0.00 N ATOM 328 CA ASP A 21 -4.969 -15.276 2.151 1.00 0.00 C ATOM 329 C ASP A 21 -5.622 -14.117 1.405 1.00 0.00 C ATOM 330 O ASP A 21 -5.742 -14.142 0.181 1.00 0.00 O ATOM 331 CB ASP A 21 -3.482 -14.990 2.356 1.00 0.00 C ATOM 332 CG ASP A 21 -2.825 -15.988 3.289 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.192 -16.018 4.483 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.941 -16.740 2.827 1.00 0.00 O ATOM 0 H ASP A 21 -4.294 -16.914 1.030 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.450 -15.376 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.975 -15.010 1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.360 -13.985 2.760 1.00 0.00 H new ATOM 339 N THR A 22 -6.040 -13.102 2.153 1.00 0.00 N ATOM 340 CA THR A 22 -6.680 -11.933 1.563 1.00 0.00 C ATOM 341 C THR A 22 -5.757 -10.720 1.625 1.00 0.00 C ATOM 342 O THR A 22 -4.818 -10.680 2.421 1.00 0.00 O ATOM 343 CB THR A 22 -7.993 -11.625 2.283 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.746 -11.103 3.576 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.887 -12.836 2.440 1.00 0.00 C ATOM 0 H THR A 22 -5.947 -13.065 3.168 1.00 0.00 H new ATOM 0 HA THR A 22 -6.892 -12.155 0.517 1.00 0.00 H new ATOM 0 HB THR A 22 -8.503 -10.895 1.654 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.080 -11.659 4.032 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.802 -12.548 2.959 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.137 -13.233 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.367 -13.600 3.018 1.00 0.00 H new ATOM 353 N VAL A 23 -6.032 -9.733 0.781 1.00 0.00 N ATOM 354 CA VAL A 23 -5.229 -8.518 0.742 1.00 0.00 C ATOM 355 C VAL A 23 -4.868 -8.058 2.150 1.00 0.00 C ATOM 356 O VAL A 23 -3.712 -7.743 2.431 1.00 0.00 O ATOM 357 CB VAL A 23 -5.968 -7.381 0.014 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.179 -6.085 0.103 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.229 -7.757 -1.437 1.00 0.00 C ATOM 0 H VAL A 23 -6.804 -9.750 0.115 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.317 -8.755 0.194 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.929 -7.226 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.719 -5.294 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.051 -5.808 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.201 -6.222 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.752 -6.941 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.280 -7.942 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.842 -8.658 -1.475 1.00 0.00 H new ATOM 369 N GLU A 24 -5.863 -8.025 3.030 1.00 0.00 N ATOM 370 CA GLU A 24 -5.648 -7.607 4.410 1.00 0.00 C ATOM 371 C GLU A 24 -4.402 -8.270 4.986 1.00 0.00 C ATOM 372 O GLU A 24 -3.475 -7.592 5.431 1.00 0.00 O ATOM 373 CB GLU A 24 -6.866 -7.952 5.267 1.00 0.00 C ATOM 374 CG GLU A 24 -7.075 -7.004 6.438 1.00 0.00 C ATOM 375 CD GLU A 24 -6.769 -7.651 7.774 1.00 0.00 C ATOM 376 OE1 GLU A 24 -7.130 -8.833 7.958 1.00 0.00 O ATOM 377 OE2 GLU A 24 -6.168 -6.977 8.637 1.00 0.00 O ATOM 0 H GLU A 24 -6.826 -8.283 2.812 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.503 -6.527 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.757 -7.942 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.756 -8.967 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.440 -6.128 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.107 -6.653 6.437 1.00 0.00 H new ATOM 384 N ASN A 25 -4.384 -9.599 4.973 1.00 0.00 N ATOM 385 CA ASN A 25 -3.247 -10.351 5.491 1.00 0.00 C ATOM 386 C ASN A 25 -1.951 -9.871 4.849 1.00 0.00 C ATOM 387 O ASN A 25 -1.000 -9.505 5.541 1.00 0.00 O ATOM 388 CB ASN A 25 -3.437 -11.847 5.233 1.00 0.00 C ATOM 389 CG ASN A 25 -4.798 -12.342 5.679 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.448 -13.121 4.982 1.00 0.00 O ATOM 391 ND2 ASN A 25 -5.239 -11.890 6.848 1.00 0.00 N ATOM 0 H ASN A 25 -5.142 -10.176 4.610 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.186 -10.184 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.311 -12.048 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.661 -12.405 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.149 -12.188 7.200 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.668 -11.245 7.394 1.00 0.00 H new ATOM 398 N LEU A 26 -1.921 -9.869 3.519 1.00 0.00 N ATOM 399 CA LEU A 26 -0.743 -9.425 2.787 1.00 0.00 C ATOM 400 C LEU A 26 -0.270 -8.074 3.311 1.00 0.00 C ATOM 401 O LEU A 26 0.930 -7.813 3.399 1.00 0.00 O ATOM 402 CB LEU A 26 -1.046 -9.333 1.290 1.00 0.00 C ATOM 403 CG LEU A 26 0.141 -8.942 0.410 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.348 -9.814 0.724 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.228 -9.051 -1.062 1.00 0.00 C ATOM 0 H LEU A 26 -2.697 -10.169 2.930 1.00 0.00 H new ATOM 0 HA LEU A 26 0.051 -10.156 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.426 -10.297 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.844 -8.606 1.141 1.00 0.00 H new ATOM 0 HG LEU A 26 0.401 -7.905 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.184 -9.521 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.626 -9.687 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.100 -10.859 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.629 -8.769 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.515 -10.078 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.063 -8.385 -1.278 1.00 0.00 H new ATOM 417 N LYS A 27 -1.225 -7.221 3.667 1.00 0.00 N ATOM 418 CA LYS A 27 -0.912 -5.898 4.193 1.00 0.00 C ATOM 419 C LYS A 27 -0.231 -6.013 5.551 1.00 0.00 C ATOM 420 O LYS A 27 0.812 -5.405 5.788 1.00 0.00 O ATOM 421 CB LYS A 27 -2.184 -5.056 4.315 1.00 0.00 C ATOM 422 CG LYS A 27 -2.944 -4.911 3.008 1.00 0.00 C ATOM 423 CD LYS A 27 -3.656 -3.571 2.924 1.00 0.00 C ATOM 424 CE LYS A 27 -3.834 -3.126 1.481 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.574 -1.838 1.383 1.00 0.00 N ATOM 0 H LYS A 27 -2.223 -7.423 3.601 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.231 -5.406 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.840 -5.509 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.920 -4.065 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.253 -5.010 2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.672 -5.717 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.631 -3.644 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.086 -2.820 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.856 -3.019 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.371 -3.896 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.212 -1.290 0.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.587 -2.029 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.440 -1.293 2.259 1.00 0.00 H new ATOM 439 N ALA A 28 -0.825 -6.805 6.438 1.00 0.00 N ATOM 440 CA ALA A 28 -0.270 -7.007 7.769 1.00 0.00 C ATOM 441 C ALA A 28 1.217 -7.323 7.684 1.00 0.00 C ATOM 442 O ALA A 28 2.008 -6.873 8.512 1.00 0.00 O ATOM 443 CB ALA A 28 -1.012 -8.123 8.489 1.00 0.00 C ATOM 0 H ALA A 28 -1.689 -7.316 6.258 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.394 -6.086 8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.585 -8.262 9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.066 -7.860 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.917 -9.048 7.921 1.00 0.00 H new ATOM 449 N LYS A 29 1.590 -8.096 6.668 1.00 0.00 N ATOM 450 CA LYS A 29 2.984 -8.470 6.464 1.00 0.00 C ATOM 451 C LYS A 29 3.803 -7.261 6.023 1.00 0.00 C ATOM 452 O LYS A 29 4.903 -7.027 6.524 1.00 0.00 O ATOM 453 CB LYS A 29 3.089 -9.582 5.418 1.00 0.00 C ATOM 454 CG LYS A 29 3.022 -10.980 6.009 1.00 0.00 C ATOM 455 CD LYS A 29 3.527 -12.024 5.027 1.00 0.00 C ATOM 456 CE LYS A 29 3.498 -13.419 5.631 1.00 0.00 C ATOM 457 NZ LYS A 29 4.863 -13.905 5.972 1.00 0.00 N ATOM 0 H LYS A 29 0.946 -8.475 5.974 1.00 0.00 H new ATOM 0 HA LYS A 29 3.383 -8.836 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.284 -9.464 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.027 -9.471 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.617 -11.019 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.994 -11.209 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.914 -12.004 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.545 -11.778 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.880 -13.413 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.032 -14.109 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.800 -14.859 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.446 -13.935 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.299 -13.261 6.662 1.00 0.00 H new ATOM 471 N ILE A 30 3.257 -6.495 5.083 1.00 0.00 N ATOM 472 CA ILE A 30 3.934 -5.308 4.576 1.00 0.00 C ATOM 473 C ILE A 30 4.119 -4.272 5.679 1.00 0.00 C ATOM 474 O ILE A 30 4.943 -3.363 5.562 1.00 0.00 O ATOM 475 CB ILE A 30 3.154 -4.667 3.413 1.00 0.00 C ATOM 476 CG1 ILE A 30 3.046 -5.644 2.241 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.825 -3.374 2.973 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.765 -4.970 0.916 1.00 0.00 C ATOM 0 H ILE A 30 2.348 -6.676 4.658 1.00 0.00 H new ATOM 0 HA ILE A 30 4.910 -5.631 4.213 1.00 0.00 H new ATOM 0 HB ILE A 30 2.147 -4.431 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.975 -6.209 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.253 -6.362 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.262 -2.933 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.852 -2.675 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.842 -3.586 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.701 -5.723 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.821 -4.428 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.570 -4.272 0.685 1.00 0.00 H new ATOM 490 N GLN A 31 3.346 -4.414 6.751 1.00 0.00 N ATOM 491 CA GLN A 31 3.422 -3.492 7.877 1.00 0.00 C ATOM 492 C GLN A 31 4.551 -3.886 8.826 1.00 0.00 C ATOM 493 O GLN A 31 5.269 -3.031 9.342 1.00 0.00 O ATOM 494 CB GLN A 31 2.092 -3.465 8.632 1.00 0.00 C ATOM 495 CG GLN A 31 2.015 -2.380 9.693 1.00 0.00 C ATOM 496 CD GLN A 31 0.892 -2.614 10.684 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.094 -3.285 10.376 1.00 0.00 O ATOM 498 NE2 GLN A 31 1.034 -2.059 11.882 1.00 0.00 N ATOM 0 H GLN A 31 2.659 -5.160 6.863 1.00 0.00 H new ATOM 0 HA GLN A 31 3.630 -2.496 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.281 -3.321 7.918 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.932 -4.435 9.104 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.963 -2.332 10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.873 -1.413 9.210 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.867 -1.511 12.095 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.310 -2.181 12.590 1.00 0.00 H new ATOM 507 N ASP A 32 4.700 -5.187 9.049 1.00 0.00 N ATOM 508 CA ASP A 32 5.740 -5.696 9.935 1.00 0.00 C ATOM 509 C ASP A 32 7.047 -5.917 9.178 1.00 0.00 C ATOM 510 O ASP A 32 8.009 -6.452 9.727 1.00 0.00 O ATOM 511 CB ASP A 32 5.289 -7.000 10.586 1.00 0.00 C ATOM 512 CG ASP A 32 5.135 -6.875 12.089 1.00 0.00 C ATOM 513 OD1 ASP A 32 4.866 -5.752 12.566 1.00 0.00 O ATOM 514 OD2 ASP A 32 5.283 -7.899 12.788 1.00 0.00 O ATOM 0 H ASP A 32 4.114 -5.908 8.629 1.00 0.00 H new ATOM 0 HA ASP A 32 5.915 -4.951 10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.339 -7.310 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.013 -7.784 10.362 1.00 0.00 H new ATOM 519 N LYS A 33 7.074 -5.501 7.915 1.00 0.00 N ATOM 520 CA LYS A 33 8.265 -5.653 7.086 1.00 0.00 C ATOM 521 C LYS A 33 8.761 -4.298 6.593 1.00 0.00 C ATOM 522 O LYS A 33 9.827 -3.833 6.994 1.00 0.00 O ATOM 523 CB LYS A 33 7.968 -6.565 5.894 1.00 0.00 C ATOM 524 CG LYS A 33 7.894 -8.038 6.260 1.00 0.00 C ATOM 525 CD LYS A 33 7.371 -8.875 5.104 1.00 0.00 C ATOM 526 CE LYS A 33 8.057 -10.229 5.041 1.00 0.00 C ATOM 527 NZ LYS A 33 9.456 -10.120 4.544 1.00 0.00 N ATOM 0 H LYS A 33 6.286 -5.057 7.444 1.00 0.00 H new ATOM 0 HA LYS A 33 9.047 -6.106 7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.023 -6.263 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.741 -6.425 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.884 -8.392 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.245 -8.166 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.296 -9.016 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.530 -8.342 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.058 -10.682 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.490 -10.893 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.815 -11.067 4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.477 -9.519 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.055 -9.698 5.282 1.00 0.00 H new ATOM 541 N GLU A 34 7.979 -3.668 5.724 1.00 0.00 N ATOM 542 CA GLU A 34 8.338 -2.364 5.177 1.00 0.00 C ATOM 543 C GLU A 34 7.758 -1.237 6.028 1.00 0.00 C ATOM 544 O GLU A 34 7.927 -0.059 5.712 1.00 0.00 O ATOM 545 CB GLU A 34 7.839 -2.236 3.736 1.00 0.00 C ATOM 546 CG GLU A 34 7.595 -3.574 3.057 1.00 0.00 C ATOM 547 CD GLU A 34 7.423 -3.443 1.557 1.00 0.00 C ATOM 548 OE1 GLU A 34 8.253 -2.761 0.920 1.00 0.00 O ATOM 549 OE2 GLU A 34 6.457 -4.023 1.018 1.00 0.00 O ATOM 0 H GLU A 34 7.092 -4.039 5.383 1.00 0.00 H new ATOM 0 HA GLU A 34 9.425 -2.282 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.913 -1.661 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.569 -1.671 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.431 -4.241 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.704 -4.036 3.482 1.00 0.00 H new ATOM 556 N GLY A 35 7.075 -1.604 7.109 1.00 0.00 N ATOM 557 CA GLY A 35 6.484 -0.610 7.985 1.00 0.00 C ATOM 558 C GLY A 35 5.504 0.292 7.260 1.00 0.00 C ATOM 559 O GLY A 35 5.497 1.505 7.467 1.00 0.00 O ATOM 0 H GLY A 35 6.921 -2.572 7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.972 -1.112 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.274 -0.003 8.426 1.00 0.00 H new ATOM 563 N ILE A 36 4.677 -0.302 6.406 1.00 0.00 N ATOM 564 CA ILE A 36 3.689 0.457 5.648 1.00 0.00 C ATOM 565 C ILE A 36 2.270 0.116 6.092 1.00 0.00 C ATOM 566 O ILE A 36 1.839 -1.033 5.998 1.00 0.00 O ATOM 567 CB ILE A 36 3.820 0.192 4.135 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.248 0.474 3.667 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.824 1.043 3.361 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.489 0.125 2.215 1.00 0.00 C ATOM 0 H ILE A 36 4.671 -1.305 6.222 1.00 0.00 H new ATOM 0 HA ILE A 36 3.882 1.512 5.844 1.00 0.00 H new ATOM 0 HB ILE A 36 3.597 -0.858 3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.470 1.530 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.943 -0.091 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.928 0.845 2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.811 0.797 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.019 2.098 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.523 0.351 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.300 -0.937 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.819 0.709 1.584 1.00 0.00 H new ATOM 582 N PRO A 37 1.525 1.117 6.585 1.00 0.00 N ATOM 583 CA PRO A 37 0.146 0.928 7.049 1.00 0.00 C ATOM 584 C PRO A 37 -0.773 0.428 5.940 1.00 0.00 C ATOM 585 O PRO A 37 -0.722 0.915 4.811 1.00 0.00 O ATOM 586 CB PRO A 37 -0.281 2.329 7.505 1.00 0.00 C ATOM 587 CG PRO A 37 0.993 3.071 7.724 1.00 0.00 C ATOM 588 CD PRO A 37 1.968 2.511 6.730 1.00 0.00 C ATOM 0 HA PRO A 37 0.084 0.176 7.835 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.898 2.818 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.873 2.283 8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.853 4.141 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.354 2.937 8.744 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.931 3.047 5.782 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.994 2.573 7.092 1.00 0.00 H new ATOM 596 N PRO A 38 -1.628 -0.557 6.252 1.00 0.00 N ATOM 597 CA PRO A 38 -2.567 -1.130 5.281 1.00 0.00 C ATOM 598 C PRO A 38 -3.511 -0.082 4.703 1.00 0.00 C ATOM 599 O PRO A 38 -3.981 -0.212 3.572 1.00 0.00 O ATOM 600 CB PRO A 38 -3.353 -2.161 6.100 1.00 0.00 C ATOM 601 CG PRO A 38 -2.491 -2.459 7.278 1.00 0.00 C ATOM 602 CD PRO A 38 -1.746 -1.189 7.575 1.00 0.00 C ATOM 0 HA PRO A 38 -2.050 -1.557 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.320 -1.764 6.409 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.549 -3.061 5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.092 -2.768 8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.801 -3.275 7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.290 -0.557 8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.769 -1.388 8.016 1.00 0.00 H new ATOM 610 N ASP A 39 -3.788 0.956 5.485 1.00 0.00 N ATOM 611 CA ASP A 39 -4.678 2.026 5.052 1.00 0.00 C ATOM 612 C ASP A 39 -4.046 2.843 3.930 1.00 0.00 C ATOM 613 O ASP A 39 -4.735 3.576 3.220 1.00 0.00 O ATOM 614 CB ASP A 39 -5.024 2.939 6.230 1.00 0.00 C ATOM 615 CG ASP A 39 -6.514 2.983 6.510 1.00 0.00 C ATOM 616 OD1 ASP A 39 -7.018 2.065 7.190 1.00 0.00 O ATOM 617 OD2 ASP A 39 -7.177 3.936 6.049 1.00 0.00 O ATOM 0 H ASP A 39 -3.408 1.079 6.424 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.593 1.570 4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.500 2.593 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.666 3.947 6.022 1.00 0.00 H new ATOM 622 N GLN A 40 -2.733 2.714 3.776 1.00 0.00 N ATOM 623 CA GLN A 40 -2.011 3.444 2.740 1.00 0.00 C ATOM 624 C GLN A 40 -1.334 2.484 1.767 1.00 0.00 C ATOM 625 O GLN A 40 -0.384 2.855 1.076 1.00 0.00 O ATOM 626 CB GLN A 40 -0.968 4.368 3.369 1.00 0.00 C ATOM 627 CG GLN A 40 -1.434 5.024 4.659 1.00 0.00 C ATOM 628 CD GLN A 40 -0.456 6.064 5.169 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.415 6.529 4.434 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.595 6.435 6.437 1.00 0.00 N ATOM 0 H GLN A 40 -2.147 2.112 4.354 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.733 4.045 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.062 3.796 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.703 5.145 2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.404 5.493 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.575 4.258 5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.331 6.024 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.034 7.131 6.837 1.00 0.00 H new ATOM 639 N GLN A 41 -1.824 1.250 1.719 1.00 0.00 N ATOM 640 CA GLN A 41 -1.261 0.241 0.830 1.00 0.00 C ATOM 641 C GLN A 41 -2.109 0.083 -0.429 1.00 0.00 C ATOM 642 O GLN A 41 -3.141 -0.586 -0.413 1.00 0.00 O ATOM 643 CB GLN A 41 -1.152 -1.101 1.555 1.00 0.00 C ATOM 644 CG GLN A 41 0.136 -1.264 2.343 1.00 0.00 C ATOM 645 CD GLN A 41 0.299 -2.661 2.909 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.414 -3.636 2.165 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.309 -2.764 4.232 1.00 0.00 N ATOM 0 H GLN A 41 -2.608 0.925 2.284 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.265 0.572 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.999 -1.208 2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.225 -1.906 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.984 -1.036 1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.153 -0.541 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.211 -1.929 4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.415 -3.678 4.672 1.00 0.00 H new ATOM 656 N ARG A 42 -1.664 0.701 -1.519 1.00 0.00 N ATOM 657 CA ARG A 42 -2.380 0.623 -2.786 1.00 0.00 C ATOM 658 C ARG A 42 -1.750 -0.425 -3.697 1.00 0.00 C ATOM 659 O ARG A 42 -0.734 -0.170 -4.344 1.00 0.00 O ATOM 660 CB ARG A 42 -2.384 1.986 -3.481 1.00 0.00 C ATOM 661 CG ARG A 42 -3.637 2.246 -4.302 1.00 0.00 C ATOM 662 CD ARG A 42 -3.719 3.696 -4.750 1.00 0.00 C ATOM 663 NE ARG A 42 -4.645 4.471 -3.929 1.00 0.00 N ATOM 664 CZ ARG A 42 -5.966 4.336 -3.980 1.00 0.00 C ATOM 665 NH1 ARG A 42 -6.514 3.460 -4.812 1.00 0.00 N ATOM 666 NH2 ARG A 42 -6.741 5.077 -3.200 1.00 0.00 N ATOM 0 H ARG A 42 -0.812 1.261 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.409 0.330 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.284 2.768 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.512 2.055 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.643 1.594 -5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.518 1.996 -3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.728 4.147 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.037 3.736 -5.792 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.256 5.155 -3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.921 2.889 -5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.528 3.358 -4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.323 5.752 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.755 4.972 -3.241 1.00 0.00 H new ATOM 680 N LEU A 43 -2.355 -1.607 -3.740 1.00 0.00 N ATOM 681 CA LEU A 43 -1.849 -2.694 -4.569 1.00 0.00 C ATOM 682 C LEU A 43 -2.459 -2.646 -5.966 1.00 0.00 C ATOM 683 O LEU A 43 -3.680 -2.672 -6.122 1.00 0.00 O ATOM 684 CB LEU A 43 -2.152 -4.045 -3.915 1.00 0.00 C ATOM 685 CG LEU A 43 -1.527 -4.253 -2.535 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.171 -5.437 -1.831 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.024 -4.456 -2.657 1.00 0.00 C ATOM 0 H LEU A 43 -3.196 -1.836 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.769 -2.574 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.233 -4.154 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.804 -4.838 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.706 -3.360 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.714 -5.570 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.239 -5.253 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.023 -6.338 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.405 -4.603 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.176 -5.333 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.425 -3.578 -3.121 1.00 0.00 H new ATOM 699 N ILE A 44 -1.601 -2.577 -6.977 1.00 0.00 N ATOM 700 CA ILE A 44 -2.053 -2.527 -8.363 1.00 0.00 C ATOM 701 C ILE A 44 -1.476 -3.685 -9.169 1.00 0.00 C ATOM 702 O ILE A 44 -0.567 -3.500 -9.978 1.00 0.00 O ATOM 703 CB ILE A 44 -1.655 -1.200 -9.036 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.283 -0.017 -8.296 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.077 -1.202 -10.499 1.00 0.00 C ATOM 706 CD1 ILE A 44 -2.193 1.287 -9.056 1.00 0.00 C ATOM 0 H ILE A 44 -0.588 -2.554 -6.863 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.140 -2.605 -8.345 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.571 -1.097 -8.990 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.331 -0.239 -8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.791 0.100 -7.330 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.789 -0.258 -10.962 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.586 -2.025 -11.018 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.158 -1.324 -10.566 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.658 2.081 -8.472 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.146 1.533 -9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.710 1.188 -10.010 1.00 0.00 H new ATOM 718 N PHE A 45 -2.011 -4.881 -8.943 1.00 0.00 N ATOM 719 CA PHE A 45 -1.550 -6.071 -9.647 1.00 0.00 C ATOM 720 C PHE A 45 -2.058 -6.087 -11.085 1.00 0.00 C ATOM 721 O PHE A 45 -3.263 -6.147 -11.328 1.00 0.00 O ATOM 722 CB PHE A 45 -2.014 -7.333 -8.916 1.00 0.00 C ATOM 723 CG PHE A 45 -1.749 -8.600 -9.676 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.501 -8.839 -10.242 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.748 -9.556 -9.827 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.254 -10.009 -10.943 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.507 -10.729 -10.527 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.258 -10.955 -11.086 1.00 0.00 C ATOM 0 H PHE A 45 -2.765 -5.051 -8.277 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.460 -6.050 -9.667 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.513 -7.388 -7.949 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.083 -7.255 -8.717 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.284 -8.105 -10.134 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.722 -9.383 -9.394 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.719 -10.184 -11.377 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.290 -11.465 -10.636 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.067 -11.867 -11.632 1.00 0.00 H new ATOM 738 N ALA A 46 -1.131 -6.032 -12.036 1.00 0.00 N ATOM 739 CA ALA A 46 -1.483 -6.041 -13.451 1.00 0.00 C ATOM 740 C ALA A 46 -2.511 -4.960 -13.769 1.00 0.00 C ATOM 741 O ALA A 46 -3.441 -5.183 -14.545 1.00 0.00 O ATOM 742 CB ALA A 46 -2.011 -7.409 -13.854 1.00 0.00 C ATOM 0 H ALA A 46 -0.129 -5.981 -11.852 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.582 -5.828 -14.025 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.270 -7.402 -14.913 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.245 -8.163 -13.673 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.898 -7.645 -13.265 1.00 0.00 H new ATOM 748 N GLY A 47 -2.337 -3.789 -13.167 1.00 0.00 N ATOM 749 CA GLY A 47 -3.258 -2.691 -13.401 1.00 0.00 C ATOM 750 C GLY A 47 -4.523 -2.806 -12.574 1.00 0.00 C ATOM 751 O GLY A 47 -5.322 -1.870 -12.516 1.00 0.00 O ATOM 0 H GLY A 47 -1.575 -3.580 -12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.761 -1.749 -13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.521 -2.661 -14.458 1.00 0.00 H new ATOM 755 N LYS A 48 -4.708 -3.955 -11.933 1.00 0.00 N ATOM 756 CA LYS A 48 -5.885 -4.188 -11.105 1.00 0.00 C ATOM 757 C LYS A 48 -5.616 -3.803 -9.655 1.00 0.00 C ATOM 758 O LYS A 48 -4.716 -4.347 -9.015 1.00 0.00 O ATOM 759 CB LYS A 48 -6.308 -5.656 -11.185 1.00 0.00 C ATOM 760 CG LYS A 48 -7.603 -5.875 -11.949 1.00 0.00 C ATOM 761 CD LYS A 48 -7.809 -7.343 -12.287 1.00 0.00 C ATOM 762 CE LYS A 48 -9.150 -7.575 -12.967 1.00 0.00 C ATOM 763 NZ LYS A 48 -10.286 -7.443 -12.013 1.00 0.00 N ATOM 0 H LYS A 48 -4.057 -4.740 -11.971 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.694 -3.563 -11.483 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.513 -6.229 -11.662 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.421 -6.048 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.443 -5.516 -11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.589 -5.288 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.005 -7.684 -12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.754 -7.939 -11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.274 -6.860 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.164 -8.570 -13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.172 -7.707 -12.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.130 -8.071 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.350 -6.459 -11.684 1.00 0.00 H new ATOM 777 N GLN A 49 -6.402 -2.862 -9.142 1.00 0.00 N ATOM 778 CA GLN A 49 -6.248 -2.404 -7.767 1.00 0.00 C ATOM 779 C GLN A 49 -6.911 -3.374 -6.794 1.00 0.00 C ATOM 780 O GLN A 49 -8.137 -3.415 -6.682 1.00 0.00 O ATOM 781 CB GLN A 49 -6.849 -1.007 -7.600 1.00 0.00 C ATOM 782 CG GLN A 49 -5.916 0.113 -8.036 1.00 0.00 C ATOM 783 CD GLN A 49 -6.656 1.273 -8.672 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.991 2.251 -8.005 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.913 1.170 -9.970 1.00 0.00 N ATOM 0 H GLN A 49 -7.152 -2.402 -9.658 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.182 -2.362 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.771 -0.946 -8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.117 -0.859 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.358 0.473 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.188 -0.281 -8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.617 0.341 -10.484 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.407 1.920 -10.453 1.00 0.00 H new ATOM 794 N LEU A 50 -6.094 -4.151 -6.090 1.00 0.00 N ATOM 795 CA LEU A 50 -6.605 -5.118 -5.127 1.00 0.00 C ATOM 796 C LEU A 50 -7.604 -4.463 -4.179 1.00 0.00 C ATOM 797 O LEU A 50 -7.524 -3.264 -3.908 1.00 0.00 O ATOM 798 CB LEU A 50 -5.453 -5.732 -4.328 1.00 0.00 C ATOM 799 CG LEU A 50 -4.392 -6.446 -5.169 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.483 -7.282 -4.283 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.051 -7.316 -6.228 1.00 0.00 C ATOM 0 H LEU A 50 -5.077 -4.130 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.116 -5.907 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.969 -4.943 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.866 -6.442 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.785 -5.692 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.735 -7.782 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.985 -6.636 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.076 -8.028 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.283 -7.817 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.682 -8.062 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.662 -6.693 -6.882 1.00 0.00 H new ATOM 813 N GLU A 51 -8.546 -5.255 -3.679 1.00 0.00 N ATOM 814 CA GLU A 51 -9.562 -4.750 -2.763 1.00 0.00 C ATOM 815 C GLU A 51 -9.619 -5.591 -1.492 1.00 0.00 C ATOM 816 O GLU A 51 -9.935 -6.781 -1.536 1.00 0.00 O ATOM 817 CB GLU A 51 -10.931 -4.740 -3.445 1.00 0.00 C ATOM 818 CG GLU A 51 -11.033 -3.745 -4.589 1.00 0.00 C ATOM 819 CD GLU A 51 -12.244 -2.841 -4.471 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.340 -3.353 -4.160 1.00 0.00 O ATOM 821 OE2 GLU A 51 -12.096 -1.620 -4.687 1.00 0.00 O ATOM 0 H GLU A 51 -8.627 -6.249 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.292 -3.730 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.147 -5.739 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.695 -4.508 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.130 -3.135 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.080 -4.287 -5.534 1.00 0.00 H new ATOM 828 N ASP A 52 -9.312 -4.964 -0.361 1.00 0.00 N ATOM 829 CA ASP A 52 -9.330 -5.654 0.924 1.00 0.00 C ATOM 830 C ASP A 52 -10.570 -6.531 1.055 1.00 0.00 C ATOM 831 O ASP A 52 -11.667 -6.133 0.665 1.00 0.00 O ATOM 832 CB ASP A 52 -9.283 -4.642 2.070 1.00 0.00 C ATOM 833 CG ASP A 52 -8.904 -5.282 3.391 1.00 0.00 C ATOM 834 OD1 ASP A 52 -9.795 -5.864 4.046 1.00 0.00 O ATOM 835 OD2 ASP A 52 -7.717 -5.200 3.773 1.00 0.00 O ATOM 0 H ASP A 52 -9.048 -3.980 -0.308 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.449 -6.294 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.565 -3.858 1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.257 -4.163 2.168 1.00 0.00 H new ATOM 840 N GLY A 53 -10.389 -7.726 1.607 1.00 0.00 N ATOM 841 CA GLY A 53 -11.503 -8.640 1.781 1.00 0.00 C ATOM 842 C GLY A 53 -11.458 -9.803 0.810 1.00 0.00 C ATOM 843 O GLY A 53 -11.927 -10.897 1.123 1.00 0.00 O ATOM 0 H GLY A 53 -9.490 -8.078 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.498 -9.023 2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.439 -8.097 1.649 1.00 0.00 H new ATOM 847 N ARG A 54 -10.895 -9.567 -0.370 1.00 0.00 N ATOM 848 CA ARG A 54 -10.792 -10.607 -1.388 1.00 0.00 C ATOM 849 C ARG A 54 -9.489 -11.386 -1.242 1.00 0.00 C ATOM 850 O ARG A 54 -8.524 -10.897 -0.655 1.00 0.00 O ATOM 851 CB ARG A 54 -10.875 -9.991 -2.786 1.00 0.00 C ATOM 852 CG ARG A 54 -11.924 -8.898 -2.907 1.00 0.00 C ATOM 853 CD ARG A 54 -13.117 -9.358 -3.729 1.00 0.00 C ATOM 854 NE ARG A 54 -14.281 -9.641 -2.895 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.465 -9.998 -3.378 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.641 -10.119 -4.687 1.00 0.00 N ATOM 857 NH2 ARG A 54 -16.476 -10.236 -2.553 1.00 0.00 N ATOM 0 H ARG A 54 -10.503 -8.666 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.625 -11.297 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.901 -9.580 -3.051 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.096 -10.777 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.259 -8.602 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.480 -8.016 -3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.372 -8.589 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.847 -10.253 -4.290 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.179 -9.560 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.866 -9.938 -5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.551 -10.393 -5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.345 -10.145 -1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.385 -10.510 -2.926 1.00 0.00 H new ATOM 871 N THR A 55 -9.469 -12.600 -1.781 1.00 0.00 N ATOM 872 CA THR A 55 -8.284 -13.447 -1.710 1.00 0.00 C ATOM 873 C THR A 55 -7.428 -13.291 -2.963 1.00 0.00 C ATOM 874 O THR A 55 -7.905 -12.827 -3.998 1.00 0.00 O ATOM 875 CB THR A 55 -8.685 -14.912 -1.533 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.028 -15.492 -2.779 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.863 -15.100 -0.599 1.00 0.00 C ATOM 0 H THR A 55 -10.259 -13.019 -2.271 1.00 0.00 H new ATOM 0 HA THR A 55 -7.697 -13.133 -0.847 1.00 0.00 H new ATOM 0 HB THR A 55 -7.814 -15.400 -1.097 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.670 -14.915 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.096 -16.162 -0.517 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.613 -14.706 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.729 -14.568 -0.993 1.00 0.00 H new ATOM 885 N LEU A 56 -6.161 -13.679 -2.861 1.00 0.00 N ATOM 886 CA LEU A 56 -5.237 -13.581 -3.985 1.00 0.00 C ATOM 887 C LEU A 56 -5.744 -14.382 -5.180 1.00 0.00 C ATOM 888 O LEU A 56 -5.693 -13.916 -6.318 1.00 0.00 O ATOM 889 CB LEU A 56 -3.849 -14.077 -3.574 1.00 0.00 C ATOM 890 CG LEU A 56 -3.163 -13.250 -2.487 1.00 0.00 C ATOM 891 CD1 LEU A 56 -1.687 -13.601 -2.400 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.344 -11.763 -2.757 1.00 0.00 C ATOM 0 H LEU A 56 -5.750 -14.065 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.170 -12.533 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.936 -15.106 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.209 -14.092 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.628 -13.486 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.216 -13.002 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.578 -14.659 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.207 -13.394 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.850 -11.188 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.905 -11.513 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.407 -11.522 -2.768 1.00 0.00 H new ATOM 904 N SER A 57 -6.231 -15.589 -4.915 1.00 0.00 N ATOM 905 CA SER A 57 -6.746 -16.455 -5.971 1.00 0.00 C ATOM 906 C SER A 57 -7.825 -15.743 -6.780 1.00 0.00 C ATOM 907 O SER A 57 -7.895 -15.887 -8.001 1.00 0.00 O ATOM 908 CB SER A 57 -7.309 -17.745 -5.373 1.00 0.00 C ATOM 909 OG SER A 57 -8.534 -18.102 -5.991 1.00 0.00 O ATOM 0 H SER A 57 -6.280 -15.991 -3.979 1.00 0.00 H new ATOM 0 HA SER A 57 -5.920 -16.702 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.587 -18.552 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.463 -17.616 -4.302 1.00 0.00 H new ATOM 0 HG SER A 57 -8.872 -18.931 -5.592 1.00 0.00 H new ATOM 915 N ASP A 58 -8.662 -14.974 -6.093 1.00 0.00 N ATOM 916 CA ASP A 58 -9.739 -14.239 -6.749 1.00 0.00 C ATOM 917 C ASP A 58 -9.207 -13.437 -7.932 1.00 0.00 C ATOM 918 O ASP A 58 -9.882 -13.294 -8.951 1.00 0.00 O ATOM 919 CB ASP A 58 -10.428 -13.306 -5.752 1.00 0.00 C ATOM 920 CG ASP A 58 -11.389 -14.042 -4.840 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.397 -14.577 -5.347 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.134 -14.083 -3.618 1.00 0.00 O ATOM 0 H ASP A 58 -8.616 -14.843 -5.083 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.466 -14.961 -7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.673 -12.802 -5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.969 -12.532 -6.297 1.00 0.00 H new ATOM 927 N TYR A 59 -7.993 -12.916 -7.790 1.00 0.00 N ATOM 928 CA TYR A 59 -7.371 -12.129 -8.847 1.00 0.00 C ATOM 929 C TYR A 59 -6.508 -13.008 -9.746 1.00 0.00 C ATOM 930 O TYR A 59 -5.471 -12.574 -10.248 1.00 0.00 O ATOM 931 CB TYR A 59 -6.522 -11.006 -8.246 1.00 0.00 C ATOM 932 CG TYR A 59 -7.322 -10.010 -7.436 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.084 -9.027 -8.062 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.314 -10.053 -6.042 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.817 -8.111 -7.323 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.045 -9.142 -5.296 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.795 -8.173 -5.940 1.00 0.00 C ATOM 938 OH TYR A 59 -9.522 -7.267 -5.203 1.00 0.00 O ATOM 0 H TYR A 59 -7.421 -13.025 -6.953 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.165 -11.691 -9.452 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.752 -11.444 -7.610 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.009 -10.479 -9.051 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.104 -8.977 -9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.730 -10.807 -5.536 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.402 -7.353 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.030 -9.188 -4.217 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.479 -7.452 -5.308 1.00 0.00 H new ATOM 948 N ASN A 60 -6.943 -14.249 -9.944 1.00 0.00 N ATOM 949 CA ASN A 60 -6.211 -15.190 -10.782 1.00 0.00 C ATOM 950 C ASN A 60 -4.706 -15.004 -10.624 1.00 0.00 C ATOM 951 O ASN A 60 -3.967 -14.973 -11.609 1.00 0.00 O ATOM 952 CB ASN A 60 -6.607 -15.013 -12.249 1.00 0.00 C ATOM 953 CG ASN A 60 -6.491 -13.574 -12.709 1.00 0.00 C ATOM 954 OD1 ASN A 60 -5.389 -13.040 -12.841 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.630 -12.937 -12.955 1.00 0.00 N ATOM 0 H ASN A 60 -7.798 -14.625 -9.535 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.469 -16.199 -10.462 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.973 -15.643 -12.872 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.632 -15.355 -12.390 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.614 -11.966 -13.267 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.521 -13.419 -12.832 1.00 0.00 H new ATOM 962 N LEU A 61 -4.258 -14.881 -9.380 1.00 0.00 N ATOM 963 CA LEU A 61 -2.840 -14.698 -9.092 1.00 0.00 C ATOM 964 C LEU A 61 -2.101 -16.033 -9.124 1.00 0.00 C ATOM 965 O LEU A 61 -2.441 -16.958 -8.388 1.00 0.00 O ATOM 966 CB LEU A 61 -2.657 -14.033 -7.727 1.00 0.00 C ATOM 967 CG LEU A 61 -2.468 -12.515 -7.768 1.00 0.00 C ATOM 968 CD1 LEU A 61 -3.099 -11.867 -6.546 1.00 0.00 C ATOM 969 CD2 LEU A 61 -0.990 -12.165 -7.857 1.00 0.00 C ATOM 0 H LEU A 61 -4.856 -14.905 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.419 -14.052 -9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.526 -14.259 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.792 -14.479 -7.235 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.966 -12.128 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.955 -10.787 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.166 -12.090 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.629 -12.258 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.874 -11.082 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.469 -12.563 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.567 -12.599 -8.763 1.00 0.00 H new ATOM 981 N GLN A 62 -1.091 -16.123 -9.983 1.00 0.00 N ATOM 982 CA GLN A 62 -0.305 -17.345 -10.110 1.00 0.00 C ATOM 983 C GLN A 62 1.039 -17.204 -9.404 1.00 0.00 C ATOM 984 O GLN A 62 1.697 -16.169 -9.502 1.00 0.00 O ATOM 985 CB GLN A 62 -0.085 -17.685 -11.585 1.00 0.00 C ATOM 986 CG GLN A 62 -1.372 -17.770 -12.389 1.00 0.00 C ATOM 987 CD GLN A 62 -1.546 -19.115 -13.068 1.00 0.00 C ATOM 988 OE1 GLN A 62 -1.383 -19.236 -14.283 1.00 0.00 O ATOM 989 NE2 GLN A 62 -1.878 -20.135 -12.285 1.00 0.00 N ATOM 0 H GLN A 62 -0.798 -15.366 -10.600 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.861 -18.154 -9.637 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.563 -16.930 -12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.441 -18.637 -11.655 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.221 -17.587 -11.730 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.378 -16.983 -13.143 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.003 -19.989 -11.283 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.008 -21.064 -12.685 1.00 0.00 H new ATOM 998 N LYS A 63 1.441 -18.252 -8.693 1.00 0.00 N ATOM 999 CA LYS A 63 2.707 -18.246 -7.971 1.00 0.00 C ATOM 1000 C LYS A 63 3.788 -17.532 -8.776 1.00 0.00 C ATOM 1001 O LYS A 63 4.060 -17.889 -9.923 1.00 0.00 O ATOM 1002 CB LYS A 63 3.145 -19.678 -7.660 1.00 0.00 C ATOM 1003 CG LYS A 63 2.655 -20.698 -8.674 1.00 0.00 C ATOM 1004 CD LYS A 63 3.670 -21.811 -8.882 1.00 0.00 C ATOM 1005 CE LYS A 63 3.454 -22.521 -10.207 1.00 0.00 C ATOM 1006 NZ LYS A 63 4.627 -22.376 -11.113 1.00 0.00 N ATOM 0 H LYS A 63 0.908 -19.117 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 63 2.563 -17.707 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.234 -19.715 -7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.777 -19.955 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.711 -21.124 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.458 -20.202 -9.624 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.678 -21.397 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.595 -22.530 -8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.264 -23.579 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.567 -22.117 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.439 -22.875 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.793 -21.368 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.469 -22.784 -10.659 1.00 0.00 H new ATOM 1020 N GLU A 64 4.401 -16.521 -8.169 1.00 0.00 N ATOM 1021 CA GLU A 64 5.451 -15.756 -8.829 1.00 0.00 C ATOM 1022 C GLU A 64 4.855 -14.658 -9.703 1.00 0.00 C ATOM 1023 O GLU A 64 4.867 -14.752 -10.931 1.00 0.00 O ATOM 1024 CB GLU A 64 6.329 -16.679 -9.677 1.00 0.00 C ATOM 1025 CG GLU A 64 6.692 -17.980 -8.982 1.00 0.00 C ATOM 1026 CD GLU A 64 8.166 -18.064 -8.637 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.614 -17.298 -7.758 1.00 0.00 O ATOM 1028 OE2 GLU A 64 8.872 -18.896 -9.245 1.00 0.00 O ATOM 0 H GLU A 64 4.188 -16.213 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 64 6.065 -15.290 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.810 -16.907 -10.608 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.245 -16.151 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.103 -18.077 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.425 -18.818 -9.625 1.00 0.00 H new ATOM 1035 N SER A 65 4.335 -13.615 -9.064 1.00 0.00 N ATOM 1036 CA SER A 65 3.735 -12.499 -9.784 1.00 0.00 C ATOM 1037 C SER A 65 4.216 -11.166 -9.219 1.00 0.00 C ATOM 1038 O SER A 65 4.558 -11.067 -8.041 1.00 0.00 O ATOM 1039 CB SER A 65 2.208 -12.576 -9.710 1.00 0.00 C ATOM 1040 OG SER A 65 1.716 -13.665 -10.472 1.00 0.00 O ATOM 0 H SER A 65 4.317 -13.520 -8.049 1.00 0.00 H new ATOM 0 HA SER A 65 4.044 -12.565 -10.827 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.896 -12.684 -8.671 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.775 -11.646 -10.078 1.00 0.00 H new ATOM 0 HG SER A 65 1.735 -14.480 -9.928 1.00 0.00 H new ATOM 1046 N THR A 66 4.240 -10.144 -10.068 1.00 0.00 N ATOM 1047 CA THR A 66 4.679 -8.817 -9.653 1.00 0.00 C ATOM 1048 C THR A 66 3.487 -7.935 -9.300 1.00 0.00 C ATOM 1049 O THR A 66 2.414 -8.058 -9.889 1.00 0.00 O ATOM 1050 CB THR A 66 5.503 -8.161 -10.762 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.703 -8.880 -10.988 1.00 0.00 O ATOM 1052 CG2 THR A 66 5.879 -6.726 -10.460 1.00 0.00 C ATOM 0 H THR A 66 3.961 -10.209 -11.047 1.00 0.00 H new ATOM 0 HA THR A 66 5.301 -8.928 -8.765 1.00 0.00 H new ATOM 0 HB THR A 66 4.862 -8.174 -11.643 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.215 -8.446 -11.702 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.462 -6.321 -11.287 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.974 -6.133 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.472 -6.690 -9.546 1.00 0.00 H new ATOM 1060 N ILE A 67 3.683 -7.043 -8.332 1.00 0.00 N ATOM 1061 CA ILE A 67 2.624 -6.140 -7.900 1.00 0.00 C ATOM 1062 C ILE A 67 3.174 -4.748 -7.609 1.00 0.00 C ATOM 1063 O ILE A 67 4.156 -4.597 -6.884 1.00 0.00 O ATOM 1064 CB ILE A 67 1.912 -6.671 -6.641 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.135 -7.948 -6.968 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.982 -5.611 -6.071 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.498 -9.121 -6.082 1.00 0.00 C ATOM 0 H ILE A 67 4.565 -6.928 -7.833 1.00 0.00 H new ATOM 0 HA ILE A 67 1.905 -6.081 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 67 2.665 -6.908 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.068 -7.748 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.318 -8.218 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.487 -6.002 -5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.559 -4.725 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.233 -5.345 -6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.909 -9.991 -6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.558 -9.347 -6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.289 -8.870 -5.042 1.00 0.00 H new ATOM 1079 N HIS A 68 2.533 -3.732 -8.179 1.00 0.00 N ATOM 1080 CA HIS A 68 2.958 -2.351 -7.980 1.00 0.00 C ATOM 1081 C HIS A 68 2.207 -1.717 -6.814 1.00 0.00 C ATOM 1082 O HIS A 68 1.040 -1.349 -6.942 1.00 0.00 O ATOM 1083 CB HIS A 68 2.729 -1.533 -9.252 1.00 0.00 C ATOM 1084 CG HIS A 68 3.045 -2.279 -10.512 1.00 0.00 C ATOM 1085 ND1 HIS A 68 2.657 -1.843 -11.762 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.717 -3.437 -10.712 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.075 -2.701 -12.675 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.721 -3.676 -12.064 1.00 0.00 N ATOM 0 H HIS A 68 1.718 -3.839 -8.782 1.00 0.00 H new ATOM 0 HA HIS A 68 4.023 -2.355 -7.748 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.689 -1.209 -9.283 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.342 -0.633 -9.210 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.166 -4.057 -9.950 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.915 -2.619 -13.740 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.154 -4.478 -12.522 1.00 0.00 H new ATOM 1097 N LEU A 69 2.885 -1.591 -5.678 1.00 0.00 N ATOM 1098 CA LEU A 69 2.280 -0.999 -4.491 1.00 0.00 C ATOM 1099 C LEU A 69 2.527 0.503 -4.441 1.00 0.00 C ATOM 1100 O LEU A 69 3.634 0.953 -4.146 1.00 0.00 O ATOM 1101 CB LEU A 69 2.833 -1.659 -3.225 1.00 0.00 C ATOM 1102 CG LEU A 69 2.329 -1.058 -1.912 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.825 -1.248 -1.782 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.053 -1.680 -0.728 1.00 0.00 C ATOM 0 H LEU A 69 3.852 -1.890 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 69 1.205 -1.170 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.578 -2.719 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.921 -1.593 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 69 2.540 0.011 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.483 -0.814 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.323 -0.754 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.590 -2.312 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.681 -1.240 0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.874 -2.755 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.123 -1.491 -0.816 1.00 0.00 H new ATOM 1116 N VAL A 70 1.486 1.276 -4.730 1.00 0.00 N ATOM 1117 CA VAL A 70 1.585 2.729 -4.715 1.00 0.00 C ATOM 1118 C VAL A 70 0.949 3.306 -3.457 1.00 0.00 C ATOM 1119 O VAL A 70 0.031 2.718 -2.884 1.00 0.00 O ATOM 1120 CB VAL A 70 0.909 3.358 -5.950 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.703 4.559 -6.438 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.747 2.329 -7.060 1.00 0.00 C ATOM 0 H VAL A 70 0.563 0.919 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 70 2.648 2.972 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.085 3.700 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.211 4.990 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.757 5.306 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.711 4.243 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.268 2.795 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.727 1.950 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.130 1.504 -6.704 1.00 0.00 H new ATOM 1132 N LEU A 71 1.443 4.464 -3.033 1.00 0.00 N ATOM 1133 CA LEU A 71 0.926 5.127 -1.843 1.00 0.00 C ATOM 1134 C LEU A 71 -0.507 5.600 -2.065 1.00 0.00 C ATOM 1135 O LEU A 71 -0.907 5.896 -3.190 1.00 0.00 O ATOM 1136 CB LEU A 71 1.814 6.315 -1.468 1.00 0.00 C ATOM 1137 CG LEU A 71 2.492 6.209 -0.100 1.00 0.00 C ATOM 1138 CD1 LEU A 71 1.537 6.643 1.003 1.00 0.00 C ATOM 1139 CD2 LEU A 71 2.983 4.790 0.144 1.00 0.00 C ATOM 0 H LEU A 71 2.202 4.963 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 71 0.931 4.407 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.584 6.429 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.210 7.222 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 71 3.354 6.876 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.035 6.561 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.235 7.677 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.656 6.002 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.462 4.734 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.138 4.102 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.701 4.516 -0.629 1.00 0.00 H new ATOM 1151 N ARG A 72 -1.276 5.669 -0.984 1.00 0.00 N ATOM 1152 CA ARG A 72 -2.665 6.107 -1.060 1.00 0.00 C ATOM 1153 C ARG A 72 -2.747 7.609 -1.311 1.00 0.00 C ATOM 1154 O ARG A 72 -3.057 8.384 -0.406 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.405 5.751 0.230 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.296 4.526 0.100 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.767 4.898 0.169 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.590 4.037 -0.676 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.897 3.872 -0.506 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -8.527 4.507 0.474 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -8.577 3.071 -1.315 1.00 0.00 N ATOM 0 H ARG A 72 -0.961 5.427 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.139 5.591 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.676 5.578 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.013 6.602 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.091 4.024 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.061 3.818 0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.110 4.828 1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.893 5.936 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.136 3.535 -1.439 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.008 5.124 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.531 4.379 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.096 2.580 -2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.581 2.945 -1.183 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.468 8.013 -2.546 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.511 9.423 -2.916 1.00 0.00 C ATOM 1177 C LEU A 73 -2.021 10.302 -1.770 1.00 0.00 C ATOM 1178 O LEU A 73 -2.611 11.343 -1.477 1.00 0.00 O ATOM 1179 CB LEU A 73 -3.933 9.826 -3.312 1.00 0.00 C ATOM 1180 CG LEU A 73 -4.377 9.353 -4.697 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -5.887 9.179 -4.741 1.00 0.00 C ATOM 1182 CD2 LEU A 73 -3.918 10.332 -5.767 1.00 0.00 C ATOM 0 H LEU A 73 -2.210 7.385 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.849 9.568 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.627 9.430 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.011 10.913 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.915 8.386 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.186 8.842 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.190 8.439 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.370 10.131 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.243 9.980 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.351 11.313 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.831 10.406 -5.750 1.00 0.00 H new ATOM 1194 N ARG A 74 -0.940 9.877 -1.124 1.00 0.00 N ATOM 1195 CA ARG A 74 -0.373 10.624 -0.010 1.00 0.00 C ATOM 1196 C ARG A 74 -1.465 11.071 0.958 1.00 0.00 C ATOM 1197 O ARG A 74 -2.067 12.129 0.785 1.00 0.00 O ATOM 1198 CB ARG A 74 0.398 11.843 -0.523 1.00 0.00 C ATOM 1199 CG ARG A 74 0.615 12.914 0.532 1.00 0.00 C ATOM 1200 CD ARG A 74 1.555 14.001 0.038 1.00 0.00 C ATOM 1201 NE ARG A 74 2.327 14.594 1.127 1.00 0.00 N ATOM 1202 CZ ARG A 74 1.822 15.460 2.000 1.00 0.00 C ATOM 1203 NH1 ARG A 74 0.552 15.833 1.908 1.00 0.00 N ATOM 1204 NH2 ARG A 74 2.586 15.954 2.964 1.00 0.00 N ATOM 0 H ARG A 74 -0.440 9.018 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 74 0.314 9.966 0.522 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.367 11.517 -0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.143 12.277 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.343 13.357 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.025 12.460 1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.236 13.582 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.978 14.779 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 74 3.307 14.329 1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.038 15.455 1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.166 16.498 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.563 15.670 3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.197 16.618 3.633 1.00 0.00 H new ATOM 1218 N GLY A 75 -1.714 10.254 1.976 1.00 0.00 N ATOM 1219 CA GLY A 75 -2.733 10.581 2.957 1.00 0.00 C ATOM 1220 C GLY A 75 -3.154 9.379 3.779 1.00 0.00 C ATOM 1221 O GLY A 75 -2.484 8.346 3.768 1.00 0.00 O ATOM 0 H GLY A 75 -1.229 9.372 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.356 11.358 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.605 10.992 2.448 1.00 0.00 H new ATOM 1225 N GLY A 76 -4.265 9.513 4.494 1.00 0.00 N ATOM 1226 CA GLY A 76 -4.755 8.421 5.315 1.00 0.00 C ATOM 1227 C GLY A 76 -5.409 8.905 6.594 1.00 0.00 C ATOM 1228 O GLY A 76 -5.650 10.124 6.714 1.00 0.00 O ATOM 1229 OXT GLY A 76 -5.683 8.063 7.476 1.00 0.00 O ATOM 0 H GLY A 76 -4.835 10.358 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.474 7.834 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.927 7.757 5.563 1.00 0.00 H new TER 1233 GLY A 76