USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 119:sc= 1.62 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.845 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.27 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0803 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 25 ASN : amide:sc= -0.0342 X(o=-0.034,f=-0.4) USER MOD Single : A 27 LYS NZ :NH3+ 132:sc= 1.1 (180deg=0.945) 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=-0.31) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0526 X(o=-0.053,f=-0.063) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.0181 USER MOD Single : A 57 SER OG : rot 58:sc= 0.00386 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.42 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00673 X(o=-0.0067,f=-0.027) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -110:sc= 0.754 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.450 4.752 -3.045 1.00 9.67 N ATOM 2 CA MET A 1 -12.089 5.285 -1.712 1.00 10.38 C ATOM 3 C MET A 1 -10.675 5.753 -1.684 1.00 9.62 C ATOM 4 O MET A 1 -9.879 5.288 -2.499 1.00 9.62 O ATOM 5 CB MET A 1 -12.317 4.234 -0.613 1.00 13.77 C ATOM 6 CG MET A 1 -11.550 2.935 -0.868 1.00 16.29 C ATOM 7 SD MET A 1 -11.752 1.898 0.612 1.00 17.17 S ATOM 8 CE MET A 1 -10.330 0.798 0.354 1.00 16.11 C ATOM 0 H1 MET A 1 -13.398 4.326 -3.004 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.448 5.525 -3.740 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.758 4.030 -3.329 1.00 9.67 H new ATOM 0 HA MET A 1 -12.740 6.137 -1.517 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.012 4.648 0.348 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.382 4.014 -0.542 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.937 2.426 -1.751 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.496 3.140 -1.054 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.277 0.075 1.168 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.445 0.270 -0.593 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.413 1.387 0.331 1.00 16.11 H new ATOM 20 N GLN A 2 -10.228 6.619 -0.757 1.00 9.27 N ATOM 21 CA GLN A 2 -8.848 6.942 -0.567 1.00 9.07 C ATOM 22 C GLN A 2 -8.200 6.158 0.521 1.00 8.72 C ATOM 23 O GLN A 2 -8.796 5.957 1.578 1.00 8.22 O ATOM 24 CB GLN A 2 -8.776 8.437 -0.215 1.00 14.46 C ATOM 25 CG GLN A 2 -9.512 9.455 -1.089 1.00 17.01 C ATOM 26 CD GLN A 2 -9.170 10.900 -0.752 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.417 11.161 0.185 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.779 11.886 -1.463 1.00 19.49 N ATOM 0 H GLN A 2 -10.850 7.112 -0.117 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.312 6.698 -1.484 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.149 8.551 0.803 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.723 8.719 -0.202 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.271 9.267 -2.135 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.586 9.308 -0.978 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.400 11.648 -2.236 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.615 12.864 -1.223 1.00 19.49 H new ATOM 37 N ILE A 3 -6.954 5.700 0.305 1.00 5.87 N ATOM 38 CA ILE A 3 -6.042 5.182 1.277 1.00 5.07 C ATOM 39 C ILE A 3 -4.905 6.145 1.300 1.00 4.01 C ATOM 40 O ILE A 3 -4.667 6.912 0.369 1.00 4.61 O ATOM 41 CB ILE A 3 -5.532 3.795 1.022 1.00 6.55 C ATOM 42 CG1 ILE A 3 -4.905 3.500 -0.351 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.680 2.796 1.245 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.356 2.087 -0.540 1.00 10.83 C ATOM 0 H ILE A 3 -6.552 5.692 -0.632 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.571 5.087 2.225 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.706 3.693 1.725 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.656 3.684 -1.120 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.095 4.210 -0.520 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.321 1.783 1.062 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.037 2.875 2.272 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.497 3.021 0.559 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.938 1.990 -1.542 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.576 1.898 0.198 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.161 1.364 -0.411 1.00 10.83 H new ATOM 56 N PHE A 4 -4.186 6.226 2.435 1.00 4.55 N ATOM 57 CA PHE A 4 -3.104 7.132 2.661 1.00 4.68 C ATOM 58 C PHE A 4 -1.863 6.315 2.777 1.00 5.30 C ATOM 59 O PHE A 4 -1.739 5.572 3.750 1.00 5.58 O ATOM 60 CB PHE A 4 -3.134 8.057 3.890 1.00 4.83 C ATOM 61 CG PHE A 4 -4.351 8.917 3.872 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.700 9.723 2.814 1.00 8.34 C ATOM 63 CD2 PHE A 4 -5.128 9.002 5.003 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.816 10.522 2.891 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.220 9.835 5.060 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.633 10.600 3.994 1.00 8.90 C ATOM 0 H PHE A 4 -4.371 5.625 3.238 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.170 7.816 1.815 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.118 7.460 4.802 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.241 8.682 3.903 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.095 9.728 1.919 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -4.875 8.402 5.865 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.067 11.126 2.032 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -6.778 9.891 5.983 1.00 9.10 H new ATOM 0 HZ PHE A 4 -7.524 11.210 4.021 1.00 8.90 H new ATOM 76 N VAL A 5 -0.889 6.418 1.856 1.00 4.44 N ATOM 77 CA VAL A 5 0.343 5.695 1.938 1.00 3.87 C ATOM 78 C VAL A 5 1.368 6.699 2.339 1.00 4.93 C ATOM 79 O VAL A 5 1.671 7.544 1.498 1.00 6.84 O ATOM 80 CB VAL A 5 0.805 5.000 0.692 1.00 2.99 C ATOM 81 CG1 VAL A 5 2.090 4.174 0.871 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.356 4.121 0.199 1.00 9.13 C ATOM 0 H VAL A 5 -0.959 7.018 1.034 1.00 4.44 H new ATOM 0 HA VAL A 5 0.189 4.879 2.644 1.00 3.87 H new ATOM 0 HB VAL A 5 1.073 5.758 -0.044 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.356 3.704 -0.076 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.901 4.828 1.192 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.925 3.404 1.624 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.056 3.598 -0.709 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.614 3.393 0.969 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.222 4.748 -0.013 1.00 9.13 H new ATOM 92 N LYS A 6 1.827 6.668 3.603 1.00 6.04 N ATOM 93 CA LYS A 6 2.692 7.695 4.093 1.00 6.12 C ATOM 94 C LYS A 6 4.047 7.078 4.033 1.00 6.57 C ATOM 95 O LYS A 6 4.191 5.874 4.240 1.00 5.76 O ATOM 96 CB LYS A 6 2.298 8.130 5.515 1.00 7.45 C ATOM 97 CG LYS A 6 0.903 8.758 5.525 1.00 11.12 C ATOM 98 CD LYS A 6 0.474 9.202 6.925 1.00 14.54 C ATOM 99 CE LYS A 6 -0.772 10.087 6.990 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.124 10.674 8.302 1.00 20.55 N ATOM 0 H LYS A 6 1.602 5.939 4.280 1.00 6.04 H new ATOM 0 HA LYS A 6 2.640 8.613 3.508 1.00 6.12 H new ATOM 0 HB2 LYS A 6 2.318 7.268 6.182 1.00 7.45 H new ATOM 0 HB3 LYS A 6 3.027 8.846 5.896 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.889 9.617 4.854 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.181 8.039 5.137 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.297 8.312 7.529 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.303 9.740 7.385 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.642 10.904 6.280 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.622 9.498 6.646 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.985 11.249 8.205 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.292 9.912 8.990 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.343 11.274 8.635 1.00 20.55 H new ATOM 114 N THR A 7 5.109 7.889 3.878 1.00 7.41 N ATOM 115 CA THR A 7 6.453 7.402 3.843 1.00 7.48 C ATOM 116 C THR A 7 7.097 7.529 5.181 1.00 8.75 C ATOM 117 O THR A 7 6.552 8.231 6.032 1.00 8.58 O ATOM 118 CB THR A 7 7.266 8.141 2.823 1.00 9.61 C ATOM 119 OG1 THR A 7 7.392 9.515 3.157 1.00 11.78 O ATOM 120 CG2 THR A 7 6.613 8.051 1.433 1.00 9.17 C ATOM 0 H THR A 7 5.033 8.901 3.775 1.00 7.41 H new ATOM 0 HA THR A 7 6.413 6.349 3.566 1.00 7.48 H new ATOM 0 HB THR A 7 8.251 7.674 2.809 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.339 9.736 3.279 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.221 8.595 0.710 1.00 9.17 H new ATOM 0 HG22 THR A 7 6.539 7.006 1.133 1.00 9.17 H new ATOM 0 HG23 THR A 7 5.615 8.489 1.471 1.00 9.17 H new ATOM 128 N LEU A 8 8.305 6.952 5.303 1.00 9.84 N ATOM 129 CA LEU A 8 9.174 7.126 6.425 1.00 14.15 C ATOM 130 C LEU A 8 9.353 8.522 6.915 1.00 17.37 C ATOM 131 O LEU A 8 9.154 8.873 8.076 1.00 17.01 O ATOM 132 CB LEU A 8 10.549 6.472 6.210 1.00 16.63 C ATOM 133 CG LEU A 8 11.581 6.546 7.348 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.057 5.857 8.620 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.971 6.016 6.958 1.00 19.31 C ATOM 0 H LEU A 8 8.693 6.337 4.588 1.00 9.84 H new ATOM 0 HA LEU A 8 8.633 6.608 7.217 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.384 5.419 5.980 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.997 6.925 5.326 1.00 16.63 H new ATOM 0 HG LEU A 8 11.717 7.607 7.558 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.808 5.926 9.407 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.141 6.348 8.949 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.850 4.808 8.407 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.645 6.100 7.811 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.891 4.970 6.660 1.00 19.31 H new ATOM 0 HD23 LEU A 8 13.363 6.601 6.126 1.00 19.31 H new ATOM 147 N THR A 9 9.807 9.391 5.995 1.00 18.33 N ATOM 148 CA THR A 9 10.016 10.805 6.047 1.00 19.24 C ATOM 149 C THR A 9 8.768 11.521 6.432 1.00 19.48 C ATOM 150 O THR A 9 8.855 12.482 7.196 1.00 23.14 O ATOM 151 CB THR A 9 10.451 11.321 4.707 1.00 18.97 C ATOM 152 OG1 THR A 9 10.010 10.560 3.592 1.00 20.24 O ATOM 153 CG2 THR A 9 11.986 11.251 4.645 1.00 19.70 C ATOM 0 H THR A 9 10.066 9.040 5.073 1.00 18.33 H new ATOM 0 HA THR A 9 10.789 10.988 6.794 1.00 19.24 H new ATOM 0 HB THR A 9 10.022 12.320 4.634 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.339 10.971 2.765 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.328 11.621 3.679 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.411 11.864 5.440 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.309 10.218 4.773 1.00 19.70 H new ATOM 161 N GLY A 10 7.599 11.141 5.885 1.00 19.43 N ATOM 162 CA GLY A 10 6.288 11.594 6.231 1.00 18.74 C ATOM 163 C GLY A 10 5.721 12.392 5.108 1.00 17.62 C ATOM 164 O GLY A 10 5.309 13.550 5.161 1.00 19.74 O ATOM 0 H GLY A 10 7.572 10.454 5.132 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.643 10.742 6.447 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.329 12.200 7.136 1.00 18.74 H new ATOM 168 N LYS A 11 5.693 11.738 3.933 1.00 13.56 N ATOM 169 CA LYS A 11 5.078 12.344 2.793 1.00 11.91 C ATOM 170 C LYS A 11 3.895 11.519 2.421 1.00 10.18 C ATOM 171 O LYS A 11 3.901 10.289 2.396 1.00 9.10 O ATOM 172 CB LYS A 11 6.113 12.359 1.655 1.00 13.43 C ATOM 173 CG LYS A 11 7.504 12.911 1.974 1.00 16.69 C ATOM 174 CD LYS A 11 8.395 12.876 0.731 1.00 17.92 C ATOM 175 CE LYS A 11 7.938 13.611 -0.531 1.00 20.81 C ATOM 176 NZ LYS A 11 8.749 13.232 -1.709 1.00 21.93 N ATOM 0 H LYS A 11 6.086 10.811 3.773 1.00 13.56 H new ATOM 0 HA LYS A 11 4.753 13.364 2.996 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.231 11.337 1.294 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.700 12.942 0.832 1.00 13.43 H new ATOM 0 HG2 LYS A 11 7.420 13.935 2.339 1.00 16.69 H new ATOM 0 HG3 LYS A 11 7.960 12.324 2.772 1.00 16.69 H new ATOM 0 HD2 LYS A 11 9.368 13.279 1.012 1.00 17.92 H new ATOM 0 HD3 LYS A 11 8.548 11.830 0.465 1.00 17.92 H new ATOM 0 HE2 LYS A 11 6.889 13.386 -0.724 1.00 20.81 H new ATOM 0 HE3 LYS A 11 8.009 14.687 -0.371 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 8.410 13.750 -2.545 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 9.746 13.470 -1.535 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 8.661 12.209 -1.876 1.00 21.93 H new ATOM 190 N THR A 12 2.739 12.135 2.114 1.00 9.63 N ATOM 191 CA THR A 12 1.527 11.377 2.082 1.00 9.85 C ATOM 192 C THR A 12 0.948 11.079 0.742 1.00 11.66 C ATOM 193 O THR A 12 0.652 11.982 -0.039 1.00 12.33 O ATOM 194 CB THR A 12 0.418 12.070 2.815 1.00 10.85 C ATOM 195 OG1 THR A 12 0.924 12.453 4.086 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.875 11.256 2.993 1.00 9.63 C ATOM 0 H THR A 12 2.643 13.126 1.894 1.00 9.63 H new ATOM 0 HA THR A 12 1.858 10.444 2.539 1.00 9.85 H new ATOM 0 HB THR A 12 0.118 12.919 2.201 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.222 12.912 4.593 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.609 11.852 3.535 1.00 9.63 H new ATOM 0 HG22 THR A 12 -1.275 10.990 2.015 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.659 10.348 3.555 1.00 9.63 H new ATOM 204 N ILE A 13 0.795 9.801 0.351 1.00 10.42 N ATOM 205 CA ILE A 13 0.396 9.395 -0.960 1.00 11.84 C ATOM 206 C ILE A 13 -1.028 8.954 -0.980 1.00 10.55 C ATOM 207 O ILE A 13 -1.287 7.836 -0.539 1.00 11.92 O ATOM 208 CB ILE A 13 1.356 8.440 -1.606 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.825 8.889 -1.542 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.994 8.262 -3.090 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.755 7.709 -1.821 1.00 16.46 C ATOM 0 H ILE A 13 0.957 9.014 0.979 1.00 10.42 H new ATOM 0 HA ILE A 13 0.445 10.274 -1.602 1.00 11.84 H new ATOM 0 HB ILE A 13 1.264 7.511 -1.043 1.00 14.86 H new ATOM 0 HG12 ILE A 13 3.002 9.680 -2.271 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.042 9.307 -0.559 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.694 7.568 -3.555 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.018 7.866 -3.173 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.049 9.226 -3.596 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.791 8.043 -1.772 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.589 6.931 -1.076 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.549 7.310 -2.814 1.00 16.46 H new ATOM 223 N THR A 14 -1.980 9.768 -1.469 1.00 9.39 N ATOM 224 CA THR A 14 -3.385 9.501 -1.488 1.00 9.63 C ATOM 225 C THR A 14 -3.654 8.695 -2.712 1.00 11.20 C ATOM 226 O THR A 14 -3.472 9.142 -3.843 1.00 11.63 O ATOM 227 CB THR A 14 -4.094 10.820 -1.407 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.649 11.605 -0.310 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.595 10.577 -1.171 1.00 11.66 C ATOM 0 H THR A 14 -1.752 10.674 -1.879 1.00 9.39 H new ATOM 0 HA THR A 14 -3.752 8.914 -0.646 1.00 9.63 H new ATOM 0 HB THR A 14 -3.891 11.341 -2.343 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.136 12.455 -0.297 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.114 11.534 -1.112 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.003 9.994 -1.996 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.733 10.031 -0.238 1.00 11.66 H new ATOM 237 N LEU A 15 -4.155 7.453 -2.583 1.00 8.29 N ATOM 238 CA LEU A 15 -4.359 6.501 -3.630 1.00 9.03 C ATOM 239 C LEU A 15 -5.827 6.269 -3.726 1.00 8.59 C ATOM 240 O LEU A 15 -6.492 5.969 -2.735 1.00 7.79 O ATOM 241 CB LEU A 15 -3.564 5.189 -3.522 1.00 11.08 C ATOM 242 CG LEU A 15 -2.040 5.382 -3.442 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.428 4.012 -3.105 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.431 5.962 -4.730 1.00 15.88 C ATOM 0 H LEU A 15 -4.439 7.088 -1.674 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.954 6.927 -4.548 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.898 4.647 -2.637 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.795 4.565 -4.385 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.813 6.118 -2.671 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.344 4.104 -3.039 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.822 3.663 -2.151 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.684 3.297 -3.887 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.354 6.073 -4.605 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.633 5.289 -5.563 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.874 6.936 -4.935 1.00 15.88 H new ATOM 256 N GLU A 16 -6.399 6.326 -4.942 1.00 11.04 N ATOM 257 CA GLU A 16 -7.795 6.119 -5.172 1.00 11.50 C ATOM 258 C GLU A 16 -8.175 4.767 -5.669 1.00 10.13 C ATOM 259 O GLU A 16 -8.434 4.555 -6.853 1.00 9.83 O ATOM 260 CB GLU A 16 -8.393 7.143 -6.152 1.00 17.22 C ATOM 261 CG GLU A 16 -8.006 8.570 -5.760 1.00 23.33 C ATOM 262 CD GLU A 16 -8.732 9.555 -6.666 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.880 9.912 -6.289 1.00 28.86 O ATOM 264 OE2 GLU A 16 -8.189 10.144 -7.638 1.00 28.90 O ATOM 0 H GLU A 16 -5.872 6.523 -5.793 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.206 6.239 -4.170 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.042 6.932 -7.162 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.479 7.048 -6.165 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.266 8.757 -4.718 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -6.928 8.704 -5.848 1.00 23.33 H new ATOM 271 N VAL A 17 -8.478 3.854 -4.729 1.00 8.99 N ATOM 272 CA VAL A 17 -8.697 2.463 -4.975 1.00 8.85 C ATOM 273 C VAL A 17 -10.047 2.018 -4.529 1.00 8.04 C ATOM 274 O VAL A 17 -10.837 2.611 -3.796 1.00 8.99 O ATOM 275 CB VAL A 17 -7.605 1.636 -4.365 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.202 2.038 -4.850 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.649 1.733 -2.830 1.00 10.54 C ATOM 0 H VAL A 17 -8.575 4.101 -3.744 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.667 2.312 -6.054 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.787 0.611 -4.687 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.456 1.403 -4.372 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.142 1.917 -5.932 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.012 3.079 -4.590 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.850 1.127 -2.404 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.517 2.772 -2.527 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.611 1.369 -2.470 1.00 10.54 H new ATOM 287 N GLU A 18 -10.410 0.831 -5.047 1.00 7.29 N ATOM 288 CA GLU A 18 -11.531 0.070 -4.590 1.00 7.08 C ATOM 289 C GLU A 18 -11.012 -0.866 -3.553 1.00 6.45 C ATOM 290 O GLU A 18 -9.856 -1.279 -3.619 1.00 5.28 O ATOM 291 CB GLU A 18 -12.337 -0.631 -5.696 1.00 10.28 C ATOM 292 CG GLU A 18 -12.714 0.252 -6.888 1.00 12.65 C ATOM 293 CD GLU A 18 -13.836 1.267 -6.717 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.654 1.235 -5.760 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.950 2.129 -7.629 1.00 18.17 O ATOM 0 H GLU A 18 -9.904 0.385 -5.812 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.276 0.746 -4.170 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.759 -1.480 -6.062 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.251 -1.032 -5.258 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.820 0.795 -7.193 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.985 -0.405 -7.714 1.00 12.65 H new ATOM 302 N PRO A 19 -11.732 -1.411 -2.618 1.00 7.24 N ATOM 303 CA PRO A 19 -11.181 -2.358 -1.692 1.00 7.07 C ATOM 304 C PRO A 19 -11.009 -3.697 -2.322 1.00 6.65 C ATOM 305 O PRO A 19 -10.417 -4.592 -1.721 1.00 6.37 O ATOM 306 CB PRO A 19 -12.235 -2.485 -0.594 1.00 7.61 C ATOM 307 CG PRO A 19 -13.300 -1.416 -0.886 1.00 8.16 C ATOM 308 CD PRO A 19 -13.163 -1.254 -2.408 1.00 7.49 C ATOM 0 HA PRO A 19 -10.204 -2.030 -1.336 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.676 -3.482 -0.593 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.791 -2.332 0.390 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.299 -1.742 -0.597 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.103 -0.485 -0.355 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.737 -2.007 -2.949 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.517 -0.280 -2.745 1.00 7.49 H new ATOM 316 N SER A 20 -11.419 -3.926 -3.582 1.00 6.80 N ATOM 317 CA SER A 20 -11.183 -5.168 -4.253 1.00 6.28 C ATOM 318 C SER A 20 -9.860 -5.162 -4.938 1.00 8.45 C ATOM 319 O SER A 20 -9.459 -6.173 -5.511 1.00 7.26 O ATOM 320 CB SER A 20 -12.345 -5.476 -5.212 1.00 8.57 C ATOM 321 OG SER A 20 -12.735 -4.270 -5.852 1.00 11.13 O ATOM 0 H SER A 20 -11.922 -3.239 -4.144 1.00 6.80 H new ATOM 0 HA SER A 20 -11.144 -5.972 -3.518 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.039 -6.215 -5.952 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.185 -5.902 -4.664 1.00 8.57 H new ATOM 0 HG SER A 20 -13.475 -4.451 -6.469 1.00 11.13 H new ATOM 327 N ASP A 21 -9.215 -3.981 -4.945 1.00 7.50 N ATOM 328 CA ASP A 21 -7.904 -3.762 -5.473 1.00 7.70 C ATOM 329 C ASP A 21 -6.900 -4.453 -4.616 1.00 7.08 C ATOM 330 O ASP A 21 -7.096 -4.545 -3.405 1.00 8.11 O ATOM 331 CB ASP A 21 -7.542 -2.271 -5.576 1.00 11.00 C ATOM 332 CG ASP A 21 -8.389 -1.650 -6.677 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.916 -2.360 -7.576 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.448 -0.391 -6.668 1.00 18.03 O ATOM 0 H ASP A 21 -9.632 -3.133 -4.561 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.895 -4.169 -6.484 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.726 -1.769 -4.626 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.482 -2.152 -5.799 1.00 11.00 H new ATOM 339 N THR A 22 -5.943 -5.090 -5.315 1.00 5.37 N ATOM 340 CA THR A 22 -4.923 -5.951 -4.803 1.00 6.01 C ATOM 341 C THR A 22 -3.764 -5.126 -4.361 1.00 8.01 C ATOM 342 O THR A 22 -3.633 -3.951 -4.698 1.00 8.11 O ATOM 343 CB THR A 22 -4.392 -6.964 -5.773 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.241 -6.330 -7.035 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.496 -8.001 -6.043 1.00 9.65 C ATOM 0 H THR A 22 -5.880 -4.992 -6.328 1.00 5.37 H new ATOM 0 HA THR A 22 -5.402 -6.501 -3.993 1.00 6.01 H new ATOM 0 HB THR A 22 -3.471 -7.391 -5.375 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.893 -6.975 -7.685 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.129 -8.748 -6.747 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.773 -8.489 -5.109 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.369 -7.502 -6.465 1.00 9.65 H new ATOM 353 N ILE A 23 -2.788 -5.593 -3.562 1.00 8.32 N ATOM 354 CA ILE A 23 -1.615 -4.921 -3.096 1.00 9.92 C ATOM 355 C ILE A 23 -0.741 -4.539 -4.241 1.00 10.01 C ATOM 356 O ILE A 23 -0.055 -3.519 -4.190 1.00 8.71 O ATOM 357 CB ILE A 23 -0.876 -5.757 -2.093 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.874 -6.214 -1.015 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.305 -5.009 -1.451 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.557 -5.097 -0.227 1.00 12.30 C ATOM 0 H ILE A 23 -2.829 -6.548 -3.205 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.922 -4.006 -2.590 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.447 -6.615 -2.610 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.644 -6.820 -1.493 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.350 -6.861 -0.312 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.803 -5.662 -0.734 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.013 -4.714 -2.225 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.063 -4.120 -0.938 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.238 -5.532 0.504 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.803 -4.502 0.288 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.118 -4.460 -0.911 1.00 12.30 H new ATOM 372 N GLU A 24 -0.664 -5.420 -5.254 1.00 9.54 N ATOM 373 CA GLU A 24 -0.071 -5.193 -6.535 1.00 11.81 C ATOM 374 C GLU A 24 -0.552 -3.981 -7.257 1.00 11.14 C ATOM 375 O GLU A 24 0.217 -3.054 -7.505 1.00 10.62 O ATOM 376 CB GLU A 24 -0.193 -6.566 -7.217 1.00 19.24 C ATOM 377 CG GLU A 24 0.810 -6.728 -8.360 1.00 27.76 C ATOM 378 CD GLU A 24 0.546 -8.011 -9.136 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.627 -8.324 -9.474 1.00 34.80 O ATOM 380 OE2 GLU A 24 1.483 -8.841 -9.277 1.00 36.51 O ATOM 0 H GLU A 24 -1.046 -6.362 -5.170 1.00 9.54 H new ATOM 0 HA GLU A 24 0.975 -4.888 -6.494 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.033 -7.353 -6.480 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.205 -6.691 -7.602 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.744 -5.872 -9.031 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.824 -6.742 -7.960 1.00 27.76 H new ATOM 387 N ASN A 25 -1.880 -3.863 -7.434 1.00 9.43 N ATOM 388 CA ASN A 25 -2.572 -2.713 -7.929 1.00 10.96 C ATOM 389 C ASN A 25 -2.280 -1.485 -7.137 1.00 9.68 C ATOM 390 O ASN A 25 -1.948 -0.454 -7.720 1.00 9.33 O ATOM 391 CB ASN A 25 -4.058 -3.008 -8.193 1.00 16.78 C ATOM 392 CG ASN A 25 -4.601 -1.863 -9.036 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.864 -0.720 -8.663 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.843 -2.267 -10.312 1.00 24.70 N ATOM 0 H ASN A 25 -2.517 -4.629 -7.214 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.172 -2.473 -8.914 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.175 -3.958 -8.714 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.607 -3.089 -7.255 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -5.251 -1.617 -10.984 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.616 -3.220 -10.597 1.00 24.70 H new ATOM 401 N VAL A 26 -2.304 -1.547 -5.794 1.00 6.52 N ATOM 402 CA VAL A 26 -1.950 -0.479 -4.911 1.00 5.53 C ATOM 403 C VAL A 26 -0.564 0.018 -5.135 1.00 4.42 C ATOM 404 O VAL A 26 -0.393 1.235 -5.174 1.00 3.40 O ATOM 405 CB VAL A 26 -2.312 -0.858 -3.505 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.055 0.316 -2.545 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.827 -1.045 -3.694 1.00 8.12 C ATOM 0 H VAL A 26 -2.587 -2.391 -5.296 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.540 0.409 -5.137 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.765 -1.706 -3.092 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.324 0.022 -1.530 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.000 0.588 -2.577 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.659 1.172 -2.847 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.279 -1.333 -2.745 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.269 -0.110 -4.038 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.008 -1.825 -4.433 1.00 8.12 H new ATOM 417 N LYS A 27 0.479 -0.807 -5.339 1.00 2.64 N ATOM 418 CA LYS A 27 1.816 -0.351 -5.560 1.00 4.14 C ATOM 419 C LYS A 27 1.874 0.328 -6.886 1.00 5.58 C ATOM 420 O LYS A 27 2.529 1.363 -6.995 1.00 4.11 O ATOM 421 CB LYS A 27 2.818 -1.517 -5.577 1.00 3.97 C ATOM 422 CG LYS A 27 2.928 -2.247 -4.236 1.00 7.45 C ATOM 423 CD LYS A 27 4.115 -3.185 -4.011 1.00 9.02 C ATOM 424 CE LYS A 27 3.983 -4.456 -4.851 1.00 12.90 C ATOM 425 NZ LYS A 27 4.918 -5.511 -4.401 1.00 15.47 N ATOM 0 H LYS A 27 0.389 -1.823 -5.350 1.00 2.64 H new ATOM 0 HA LYS A 27 2.082 0.326 -4.748 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.521 -2.230 -6.346 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.801 -1.137 -5.857 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.947 -1.493 -3.449 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.016 -2.828 -4.099 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.041 -2.671 -4.267 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.178 -3.449 -2.955 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.960 -4.827 -4.791 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.176 -4.222 -5.898 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.405 -6.410 -4.303 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.680 -5.621 -5.100 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.327 -5.244 -3.483 1.00 15.47 H new ATOM 439 N ALA A 28 1.082 -0.135 -7.869 1.00 6.61 N ATOM 440 CA ALA A 28 1.003 0.421 -9.185 1.00 7.74 C ATOM 441 C ALA A 28 0.459 1.805 -9.281 1.00 9.17 C ATOM 442 O ALA A 28 0.833 2.528 -10.203 1.00 11.45 O ATOM 443 CB ALA A 28 0.264 -0.486 -10.183 1.00 7.68 C ATOM 0 H ALA A 28 0.466 -0.937 -7.740 1.00 6.61 H new ATOM 0 HA ALA A 28 2.056 0.487 -9.460 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.239 -0.006 -11.161 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.784 -1.441 -10.260 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.755 -0.655 -9.836 1.00 7.68 H new ATOM 449 N LYS A 29 -0.451 2.179 -8.365 1.00 8.96 N ATOM 450 CA LYS A 29 -0.932 3.524 -8.284 1.00 7.90 C ATOM 451 C LYS A 29 0.110 4.461 -7.779 1.00 6.92 C ATOM 452 O LYS A 29 0.240 5.531 -8.372 1.00 6.87 O ATOM 453 CB LYS A 29 -2.244 3.684 -7.498 1.00 10.28 C ATOM 454 CG LYS A 29 -3.302 2.744 -8.081 1.00 14.94 C ATOM 455 CD LYS A 29 -3.861 2.904 -9.497 1.00 19.69 C ATOM 456 CE LYS A 29 -3.298 1.885 -10.489 1.00 22.63 C ATOM 457 NZ LYS A 29 -3.842 1.947 -11.864 1.00 24.98 N ATOM 0 H LYS A 29 -0.857 1.546 -7.676 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.169 3.793 -9.314 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.080 3.457 -6.445 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.589 4.716 -7.551 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.889 1.737 -8.022 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -4.156 2.779 -7.404 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.946 2.808 -9.465 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.641 3.910 -9.856 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -2.217 2.018 -10.541 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.478 0.885 -10.093 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -3.392 1.214 -12.449 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.869 1.787 -11.838 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.648 2.884 -12.272 1.00 24.98 H new ATOM 471 N ILE A 30 1.006 4.031 -6.873 1.00 4.57 N ATOM 472 CA ILE A 30 2.147 4.825 -6.538 1.00 5.58 C ATOM 473 C ILE A 30 3.154 4.877 -7.635 1.00 7.26 C ATOM 474 O ILE A 30 3.630 5.971 -7.931 1.00 9.46 O ATOM 475 CB ILE A 30 2.893 4.292 -5.351 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.976 4.399 -4.121 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.217 5.038 -5.115 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.268 3.349 -3.050 1.00 2.00 C ATOM 0 H ILE A 30 0.942 3.142 -6.376 1.00 4.57 H new ATOM 0 HA ILE A 30 1.725 5.810 -6.337 1.00 5.58 H new ATOM 0 HB ILE A 30 3.159 3.251 -5.536 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.082 5.392 -3.684 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.939 4.301 -4.441 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.722 4.617 -4.245 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.856 4.932 -5.992 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.013 6.094 -4.940 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.584 3.484 -2.212 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.134 2.353 -3.471 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.295 3.460 -2.702 1.00 2.00 H new ATOM 490 N GLN A 31 3.510 3.749 -8.274 1.00 7.06 N ATOM 491 CA GLN A 31 4.243 3.678 -9.500 1.00 8.67 C ATOM 492 C GLN A 31 3.807 4.633 -10.557 1.00 10.90 C ATOM 493 O GLN A 31 4.594 5.438 -11.053 1.00 9.63 O ATOM 494 CB GLN A 31 4.452 2.307 -10.166 1.00 9.12 C ATOM 495 CG GLN A 31 5.438 2.408 -11.332 1.00 10.76 C ATOM 496 CD GLN A 31 5.312 1.111 -12.120 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.083 0.025 -11.590 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.326 1.242 -13.473 1.00 14.76 N ATOM 0 H GLN A 31 3.270 2.827 -7.910 1.00 7.06 H new ATOM 0 HA GLN A 31 5.210 3.968 -9.088 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.825 1.595 -9.430 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.497 1.924 -10.525 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.208 3.268 -11.961 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.456 2.543 -10.968 1.00 10.76 H new ATOM 0 HE21 GLN A 31 5.518 2.150 -13.895 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.145 0.432 -14.066 1.00 14.76 H new ATOM 507 N ASP A 32 2.510 4.667 -10.911 1.00 10.93 N ATOM 508 CA ASP A 32 1.986 5.642 -11.816 1.00 14.01 C ATOM 509 C ASP A 32 2.230 7.060 -11.429 1.00 14.04 C ATOM 510 O ASP A 32 2.516 7.903 -12.277 1.00 13.39 O ATOM 511 CB ASP A 32 0.457 5.496 -11.892 1.00 18.01 C ATOM 512 CG ASP A 32 -0.236 5.946 -13.170 1.00 24.33 C ATOM 513 OD1 ASP A 32 -0.477 7.153 -13.440 1.00 26.29 O ATOM 514 OD2 ASP A 32 -0.561 5.034 -13.975 1.00 25.17 O ATOM 0 H ASP A 32 1.814 4.007 -10.563 1.00 10.93 H new ATOM 0 HA ASP A 32 2.503 5.447 -12.756 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.212 4.446 -11.730 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.025 6.056 -11.062 1.00 18.01 H new ATOM 519 N LYS A 33 2.112 7.334 -10.117 1.00 14.22 N ATOM 520 CA LYS A 33 2.010 8.651 -9.568 1.00 14.00 C ATOM 521 C LYS A 33 3.312 9.299 -9.244 1.00 12.37 C ATOM 522 O LYS A 33 3.759 10.287 -9.825 1.00 12.17 O ATOM 523 CB LYS A 33 1.165 8.745 -8.287 1.00 18.62 C ATOM 524 CG LYS A 33 -0.328 8.828 -8.612 1.00 24.00 C ATOM 525 CD LYS A 33 -1.264 8.620 -7.420 1.00 27.61 C ATOM 526 CE LYS A 33 -2.741 8.466 -7.787 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.349 9.612 -8.500 1.00 30.06 N ATOM 0 H LYS A 33 2.087 6.603 -9.406 1.00 14.22 H new ATOM 0 HA LYS A 33 1.522 9.175 -10.390 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.355 7.875 -7.659 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.464 9.623 -7.715 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.535 9.804 -9.051 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.561 8.082 -9.371 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.944 7.732 -6.875 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.159 9.466 -6.741 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.851 7.576 -8.407 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.307 8.289 -6.872 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -4.348 9.405 -8.701 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.284 10.464 -7.907 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.842 9.773 -9.394 1.00 30.06 H new ATOM 541 N GLU A 34 3.998 8.741 -8.231 1.00 10.11 N ATOM 542 CA GLU A 34 5.135 9.333 -7.598 1.00 10.07 C ATOM 543 C GLU A 34 6.374 8.927 -8.318 1.00 9.32 C ATOM 544 O GLU A 34 7.323 9.667 -8.575 1.00 11.61 O ATOM 545 CB GLU A 34 5.247 8.932 -6.117 1.00 14.77 C ATOM 546 CG GLU A 34 4.147 9.386 -5.155 1.00 18.75 C ATOM 547 CD GLU A 34 4.300 10.866 -4.834 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.450 11.290 -4.542 1.00 25.19 O ATOM 549 OE2 GLU A 34 3.263 11.581 -4.823 1.00 21.95 O ATOM 0 H GLU A 34 3.748 7.835 -7.835 1.00 10.11 H new ATOM 0 HA GLU A 34 5.010 10.415 -7.640 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.300 7.844 -6.071 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.196 9.314 -5.740 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.169 9.203 -5.599 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.195 8.801 -4.236 1.00 18.75 H new ATOM 556 N GLY A 35 6.391 7.622 -8.641 1.00 7.22 N ATOM 557 CA GLY A 35 7.345 7.040 -9.534 1.00 6.29 C ATOM 558 C GLY A 35 8.108 5.963 -8.844 1.00 6.93 C ATOM 559 O GLY A 35 9.132 5.550 -9.386 1.00 7.41 O ATOM 0 H GLY A 35 5.720 6.950 -8.269 1.00 7.22 H new ATOM 0 HA2 GLY A 35 6.835 6.632 -10.407 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.030 7.807 -9.895 1.00 6.29 H new ATOM 563 N ILE A 36 7.642 5.372 -7.729 1.00 5.86 N ATOM 564 CA ILE A 36 8.396 4.522 -6.860 1.00 6.07 C ATOM 565 C ILE A 36 8.182 3.154 -7.410 1.00 6.36 C ATOM 566 O ILE A 36 7.045 2.688 -7.451 1.00 6.18 O ATOM 567 CB ILE A 36 7.958 4.487 -5.426 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.163 5.905 -4.868 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.672 3.388 -4.621 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.378 6.199 -3.590 1.00 9.49 C ATOM 0 H ILE A 36 6.679 5.496 -7.416 1.00 5.86 H new ATOM 0 HA ILE A 36 9.421 4.892 -6.838 1.00 6.07 H new ATOM 0 HB ILE A 36 6.906 4.214 -5.343 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.224 6.055 -4.671 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.875 6.628 -5.631 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.319 3.405 -3.590 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.456 2.415 -5.062 1.00 7.36 H new ATOM 0 HG23 ILE A 36 9.748 3.564 -4.640 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.580 7.220 -3.265 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.311 6.085 -3.784 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.682 5.503 -2.808 1.00 9.49 H new ATOM 582 N PRO A 37 9.152 2.397 -7.831 1.00 8.65 N ATOM 583 CA PRO A 37 8.848 1.094 -8.347 1.00 9.18 C ATOM 584 C PRO A 37 8.641 0.035 -7.319 1.00 9.85 C ATOM 585 O PRO A 37 8.955 0.159 -6.136 1.00 8.51 O ATOM 586 CB PRO A 37 10.078 0.778 -9.195 1.00 11.42 C ATOM 587 CG PRO A 37 11.186 1.381 -8.318 1.00 9.27 C ATOM 588 CD PRO A 37 10.577 2.682 -7.769 1.00 8.33 C ATOM 0 HA PRO A 37 7.898 1.104 -8.881 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.210 -0.293 -9.351 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.032 1.241 -10.181 1.00 11.42 H new ATOM 0 HG2 PRO A 37 11.467 0.703 -7.512 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.088 1.578 -8.898 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.908 2.890 -6.751 1.00 8.33 H new ATOM 0 HD3 PRO A 37 10.847 3.547 -8.375 1.00 8.33 H new ATOM 596 N PRO A 38 8.035 -1.048 -7.707 1.00 8.71 N ATOM 597 CA PRO A 38 7.448 -1.924 -6.736 1.00 9.08 C ATOM 598 C PRO A 38 8.361 -2.922 -6.110 1.00 9.28 C ATOM 599 O PRO A 38 7.933 -3.549 -5.142 1.00 6.50 O ATOM 600 CB PRO A 38 6.392 -2.681 -7.538 1.00 10.31 C ATOM 601 CG PRO A 38 6.782 -2.516 -9.016 1.00 10.81 C ATOM 602 CD PRO A 38 7.513 -1.165 -9.060 1.00 12.00 C ATOM 0 HA PRO A 38 7.093 -1.328 -5.895 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.369 -3.734 -7.256 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.397 -2.278 -7.350 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.426 -3.329 -9.352 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.905 -2.516 -9.663 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.309 -1.158 -9.805 1.00 12.00 H new ATOM 0 HD3 PRO A 38 6.838 -0.346 -9.307 1.00 12.00 H new ATOM 610 N ASP A 39 9.624 -3.146 -6.514 1.00 11.20 N ATOM 611 CA ASP A 39 10.591 -3.862 -5.741 1.00 14.96 C ATOM 612 C ASP A 39 11.223 -3.074 -4.646 1.00 13.99 C ATOM 613 O ASP A 39 11.739 -3.580 -3.651 1.00 13.75 O ATOM 614 CB ASP A 39 11.649 -4.490 -6.664 1.00 24.16 C ATOM 615 CG ASP A 39 12.423 -3.415 -7.414 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.831 -2.647 -8.218 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.664 -3.321 -7.218 1.00 35.55 O ATOM 0 H ASP A 39 9.985 -2.817 -7.410 1.00 11.20 H new ATOM 0 HA ASP A 39 10.039 -4.649 -5.227 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.338 -5.095 -6.075 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.165 -5.159 -7.376 1.00 24.16 H new ATOM 622 N GLN A 40 11.162 -1.736 -4.775 1.00 11.60 N ATOM 623 CA GLN A 40 11.761 -0.865 -3.812 1.00 10.76 C ATOM 624 C GLN A 40 10.928 -0.690 -2.589 1.00 8.01 C ATOM 625 O GLN A 40 11.374 -0.473 -1.463 1.00 8.96 O ATOM 626 CB GLN A 40 12.078 0.500 -4.445 1.00 11.14 C ATOM 627 CG GLN A 40 12.985 1.419 -3.625 1.00 14.85 C ATOM 628 CD GLN A 40 13.047 2.782 -4.299 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.610 2.876 -5.389 1.00 20.52 O ATOM 630 NE2 GLN A 40 12.445 3.817 -3.653 1.00 18.16 N ATOM 0 H GLN A 40 10.698 -1.257 -5.547 1.00 11.60 H new ATOM 0 HA GLN A 40 12.689 -1.341 -3.494 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.546 0.330 -5.415 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.138 1.020 -4.631 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.602 1.518 -2.609 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.984 0.991 -3.548 1.00 14.85 H new ATOM 0 HE21 GLN A 40 11.997 3.663 -2.750 1.00 18.16 H new ATOM 0 HE22 GLN A 40 12.442 4.747 -4.072 1.00 18.16 H new ATOM 639 N GLN A 41 9.591 -0.621 -2.716 1.00 6.52 N ATOM 640 CA GLN A 41 8.706 -0.308 -1.637 1.00 3.87 C ATOM 641 C GLN A 41 8.051 -1.548 -1.132 1.00 4.79 C ATOM 642 O GLN A 41 7.558 -2.392 -1.879 1.00 6.34 O ATOM 643 CB GLN A 41 7.588 0.656 -2.067 1.00 4.20 C ATOM 644 CG GLN A 41 6.906 0.222 -3.366 1.00 3.20 C ATOM 645 CD GLN A 41 5.520 0.778 -3.663 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.635 0.710 -2.811 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.344 1.277 -4.916 1.00 7.13 N ATOM 0 H GLN A 41 9.110 -0.789 -3.599 1.00 6.52 H new ATOM 0 HA GLN A 41 9.314 0.163 -0.865 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.843 0.720 -1.274 1.00 4.20 H new ATOM 0 HB3 GLN A 41 8.004 1.655 -2.195 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.560 0.494 -4.194 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.836 -0.866 -3.360 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.127 1.301 -5.570 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.430 1.627 -5.202 1.00 7.13 H new ATOM 656 N ARG A 42 7.988 -1.657 0.207 1.00 5.73 N ATOM 657 CA ARG A 42 7.156 -2.575 0.921 1.00 6.97 C ATOM 658 C ARG A 42 6.142 -1.837 1.726 1.00 7.15 C ATOM 659 O ARG A 42 6.291 -0.666 2.069 1.00 7.33 O ATOM 660 CB ARG A 42 8.063 -3.511 1.738 1.00 13.23 C ATOM 661 CG ARG A 42 7.484 -4.398 2.842 1.00 21.27 C ATOM 662 CD ARG A 42 8.499 -5.334 3.500 1.00 26.14 C ATOM 663 NE ARG A 42 8.784 -6.415 2.515 1.00 32.26 N ATOM 664 CZ ARG A 42 9.401 -7.563 2.921 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.072 -7.600 4.109 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.514 -8.674 2.135 1.00 36.39 N ATOM 0 H ARG A 42 8.549 -1.071 0.825 1.00 5.73 H new ATOM 0 HA ARG A 42 6.575 -3.201 0.244 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.565 -4.169 1.029 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.833 -2.890 2.197 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.045 -3.761 3.610 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.675 -4.996 2.423 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.411 -4.796 3.759 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.100 -5.749 4.426 1.00 26.14 H new ATOM 0 HE ARG A 42 8.518 -6.297 1.537 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.114 -6.768 4.697 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.532 -8.460 4.409 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.126 -8.673 1.192 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.986 -9.505 2.491 1.00 36.39 H new ATOM 680 N LEU A 43 4.981 -2.501 1.872 1.00 4.65 N ATOM 681 CA LEU A 43 3.902 -1.893 2.586 1.00 3.51 C ATOM 682 C LEU A 43 3.585 -2.637 3.838 1.00 5.56 C ATOM 683 O LEU A 43 3.304 -3.832 3.756 1.00 4.19 O ATOM 684 CB LEU A 43 2.583 -1.781 1.803 1.00 3.74 C ATOM 685 CG LEU A 43 2.739 -1.007 0.483 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.545 -1.193 -0.470 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.850 0.475 0.878 1.00 9.55 C ATOM 0 H LEU A 43 4.792 -3.434 1.506 1.00 4.65 H new ATOM 0 HA LEU A 43 4.274 -0.888 2.785 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.206 -2.781 1.590 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.838 -1.285 2.424 1.00 3.74 H new ATOM 0 HG LEU A 43 3.612 -1.376 -0.055 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.716 -0.622 -1.383 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.438 -2.249 -0.717 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.635 -0.840 0.014 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.964 1.083 -0.019 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.948 0.778 1.410 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.717 0.616 1.524 1.00 9.55 H new ATOM 699 N ILE A 44 3.595 -1.904 4.966 1.00 4.58 N ATOM 700 CA ILE A 44 3.214 -2.355 6.268 1.00 5.55 C ATOM 701 C ILE A 44 1.864 -1.786 6.538 1.00 5.46 C ATOM 702 O ILE A 44 1.635 -0.591 6.352 1.00 6.04 O ATOM 703 CB ILE A 44 4.182 -1.886 7.313 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.578 -2.503 7.120 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.660 -2.135 8.738 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.658 -4.016 6.920 1.00 13.90 C ATOM 0 H ILE A 44 3.890 -0.928 4.967 1.00 4.58 H new ATOM 0 HA ILE A 44 3.208 -3.444 6.303 1.00 5.55 H new ATOM 0 HB ILE A 44 4.277 -0.808 7.185 1.00 6.80 H new ATOM 0 HG12 ILE A 44 6.041 -2.024 6.257 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.183 -2.246 7.990 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.394 -1.780 9.462 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.721 -1.600 8.880 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.495 -3.202 8.884 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.700 -4.312 6.797 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.238 -4.521 7.790 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.094 -4.296 6.030 1.00 13.90 H new ATOM 718 N PHE A 45 0.978 -2.596 7.144 1.00 6.75 N ATOM 719 CA PHE A 45 -0.211 -2.137 7.793 1.00 4.70 C ATOM 720 C PHE A 45 -0.292 -2.527 9.229 1.00 6.34 C ATOM 721 O PHE A 45 0.006 -3.689 9.496 1.00 5.45 O ATOM 722 CB PHE A 45 -1.443 -2.650 7.027 1.00 5.51 C ATOM 723 CG PHE A 45 -2.713 -1.997 7.450 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.048 -0.735 7.016 1.00 6.86 C ATOM 725 CD2 PHE A 45 -3.511 -2.617 8.382 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.215 -0.172 7.474 1.00 6.68 C ATOM 727 CE2 PHE A 45 -4.694 -2.051 8.796 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.120 -0.867 8.241 1.00 6.84 C ATOM 0 H PHE A 45 1.094 -3.609 7.184 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.183 -1.047 7.779 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.294 -2.483 5.960 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.530 -3.727 7.172 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.408 -0.199 6.331 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.203 -3.566 8.797 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.429 0.856 7.222 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.288 -2.536 9.556 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.123 -0.499 8.401 1.00 6.84 H new ATOM 738 N ALA A 46 -0.727 -1.665 10.165 1.00 6.53 N ATOM 739 CA ALA A 46 -0.721 -1.951 11.566 1.00 7.15 C ATOM 740 C ALA A 46 0.608 -2.408 12.060 1.00 9.00 C ATOM 741 O ALA A 46 1.553 -1.634 12.209 1.00 11.15 O ATOM 742 CB ALA A 46 -1.925 -2.770 12.062 1.00 8.99 C ATOM 0 H ALA A 46 -1.094 -0.740 9.940 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.879 -0.990 12.056 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.834 -2.938 13.135 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.846 -2.224 11.857 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.950 -3.730 11.546 1.00 8.99 H new ATOM 748 N GLY A 47 0.891 -3.709 12.248 1.00 9.35 N ATOM 749 CA GLY A 47 2.224 -4.153 12.513 1.00 11.68 C ATOM 750 C GLY A 47 2.409 -5.492 11.887 1.00 11.14 C ATOM 751 O GLY A 47 2.818 -6.421 12.581 1.00 13.93 O ATOM 0 H GLY A 47 0.196 -4.455 12.216 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.947 -3.443 12.110 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.398 -4.210 13.588 1.00 11.68 H new ATOM 755 N LYS A 48 2.060 -5.534 10.588 1.00 10.47 N ATOM 756 CA LYS A 48 2.171 -6.642 9.692 1.00 8.82 C ATOM 757 C LYS A 48 2.299 -6.290 8.250 1.00 7.68 C ATOM 758 O LYS A 48 2.070 -5.175 7.786 1.00 6.47 O ATOM 759 CB LYS A 48 0.956 -7.570 9.861 1.00 9.74 C ATOM 760 CG LYS A 48 -0.408 -6.942 9.565 1.00 14.14 C ATOM 761 CD LYS A 48 -1.545 -7.925 9.849 1.00 16.32 C ATOM 762 CE LYS A 48 -1.809 -8.988 8.781 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.058 -9.722 9.082 1.00 23.92 N ATOM 0 H LYS A 48 1.664 -4.716 10.125 1.00 10.47 H new ATOM 0 HA LYS A 48 3.106 -7.130 9.968 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.087 -8.432 9.207 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.948 -7.944 10.885 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -0.538 -6.047 10.173 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.448 -6.628 8.522 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.331 -8.432 10.790 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.462 -7.354 9.996 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.884 -8.517 7.801 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.972 -9.685 8.737 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.224 -10.440 8.348 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.973 -10.187 10.008 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -3.856 -9.056 9.101 1.00 23.92 H new ATOM 777 N GLN A 49 2.708 -7.273 7.428 1.00 8.89 N ATOM 778 CA GLN A 49 3.023 -7.210 6.034 1.00 7.18 C ATOM 779 C GLN A 49 1.896 -7.500 5.103 1.00 8.23 C ATOM 780 O GLN A 49 1.267 -8.556 5.134 1.00 9.70 O ATOM 781 CB GLN A 49 4.241 -8.098 5.730 1.00 11.67 C ATOM 782 CG GLN A 49 4.860 -7.773 4.369 1.00 15.82 C ATOM 783 CD GLN A 49 6.130 -8.547 4.044 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.193 -9.179 2.991 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.096 -8.586 5.000 1.00 20.67 N ATOM 0 H GLN A 49 2.831 -8.220 7.785 1.00 8.89 H new ATOM 0 HA GLN A 49 3.259 -6.164 5.839 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.990 -7.966 6.510 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.941 -9.146 5.751 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.121 -7.972 3.593 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.082 -6.706 4.332 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.990 -8.040 5.855 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.927 -9.161 4.862 1.00 20.67 H new ATOM 794 N LEU A 50 1.634 -6.613 4.127 1.00 6.51 N ATOM 795 CA LEU A 50 0.672 -6.739 3.076 1.00 7.41 C ATOM 796 C LEU A 50 1.198 -7.365 1.830 1.00 8.27 C ATOM 797 O LEU A 50 2.176 -6.926 1.227 1.00 8.34 O ATOM 798 CB LEU A 50 0.113 -5.375 2.639 1.00 7.13 C ATOM 799 CG LEU A 50 -0.632 -4.568 3.716 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.939 -3.163 3.171 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.920 -5.265 4.184 1.00 8.14 C ATOM 0 H LEU A 50 2.141 -5.730 4.070 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.091 -7.379 3.520 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.940 -4.769 2.268 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.565 -5.536 1.801 1.00 7.13 H new ATOM 0 HG LEU A 50 0.013 -4.493 4.591 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.467 -2.586 3.930 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.006 -2.660 2.916 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.561 -3.246 2.280 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.408 -4.655 4.944 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.592 -5.395 3.336 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.674 -6.240 4.604 1.00 8.14 H new ATOM 813 N GLU A 51 0.554 -8.456 1.379 1.00 9.43 N ATOM 814 CA GLU A 51 0.966 -9.314 0.311 1.00 11.90 C ATOM 815 C GLU A 51 0.291 -8.996 -0.979 1.00 11.49 C ATOM 816 O GLU A 51 -0.935 -8.953 -1.068 1.00 9.88 O ATOM 817 CB GLU A 51 0.512 -10.725 0.720 1.00 16.56 C ATOM 818 CG GLU A 51 1.060 -11.940 -0.030 1.00 26.06 C ATOM 819 CD GLU A 51 0.553 -13.227 0.605 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.585 -13.617 0.228 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.243 -13.843 1.459 1.00 32.13 O ATOM 0 H GLU A 51 -0.325 -8.762 1.796 1.00 9.43 H new ATOM 0 HA GLU A 51 2.040 -9.206 0.159 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.757 -10.854 1.774 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.575 -10.754 0.640 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.755 -11.898 -1.076 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.150 -11.924 -0.015 1.00 26.06 H new ATOM 828 N ASP A 52 1.100 -8.895 -2.049 1.00 12.71 N ATOM 829 CA ASP A 52 0.815 -8.665 -3.431 1.00 16.56 C ATOM 830 C ASP A 52 -0.460 -9.197 -3.989 1.00 15.83 C ATOM 831 O ASP A 52 -1.145 -8.465 -4.703 1.00 17.21 O ATOM 832 CB ASP A 52 1.927 -9.228 -4.333 1.00 21.05 C ATOM 833 CG ASP A 52 3.253 -8.514 -4.114 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.812 -8.627 -2.990 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.797 -7.784 -4.984 1.00 28.37 O ATOM 0 H ASP A 52 2.107 -8.990 -1.916 1.00 12.71 H new ATOM 0 HA ASP A 52 0.733 -7.578 -3.438 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.051 -10.293 -4.134 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.631 -9.131 -5.378 1.00 21.05 H new ATOM 840 N GLY A 53 -0.726 -10.491 -3.737 1.00 15.00 N ATOM 841 CA GLY A 53 -1.849 -11.164 -4.312 1.00 11.77 C ATOM 842 C GLY A 53 -3.181 -11.044 -3.655 1.00 11.10 C ATOM 843 O GLY A 53 -4.198 -11.503 -4.173 1.00 11.25 O ATOM 0 H GLY A 53 -0.156 -11.077 -3.127 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.955 -10.809 -5.337 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.604 -12.225 -4.366 1.00 11.77 H new ATOM 847 N ARG A 54 -3.247 -10.525 -2.416 1.00 8.53 N ATOM 848 CA ARG A 54 -4.521 -10.441 -1.771 1.00 9.05 C ATOM 849 C ARG A 54 -5.181 -9.133 -2.042 1.00 8.96 C ATOM 850 O ARG A 54 -4.526 -8.219 -2.540 1.00 11.60 O ATOM 851 CB ARG A 54 -4.363 -10.640 -0.254 1.00 7.97 C ATOM 852 CG ARG A 54 -3.490 -11.825 0.165 1.00 9.62 C ATOM 853 CD ARG A 54 -3.494 -12.061 1.676 1.00 12.20 C ATOM 854 NE ARG A 54 -2.514 -13.131 2.017 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.041 -13.330 3.281 1.00 22.08 C ATOM 856 NH1 ARG A 54 -2.726 -12.912 4.385 1.00 23.38 N ATOM 857 NH2 ARG A 54 -0.788 -13.762 3.606 1.00 25.50 N ATOM 0 H ARG A 54 -2.454 -10.176 -1.878 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.152 -11.232 -2.176 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.940 -9.730 0.173 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.353 -10.767 0.184 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.841 -12.725 -0.339 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.467 -11.652 -0.168 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.238 -11.139 2.199 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.492 -12.349 2.007 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.182 -13.742 1.271 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.621 -12.434 4.279 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -2.343 -13.077 5.316 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -0.112 -13.966 2.870 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -0.527 -13.881 4.585 1.00 25.50 H new ATOM 871 N THR A 55 -6.476 -9.105 -1.681 1.00 9.05 N ATOM 872 CA THR A 55 -7.271 -7.916 -1.713 1.00 9.03 C ATOM 873 C THR A 55 -7.182 -7.142 -0.443 1.00 8.15 C ATOM 874 O THR A 55 -6.792 -7.636 0.613 1.00 5.91 O ATOM 875 CB THR A 55 -8.697 -8.072 -2.150 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.459 -8.679 -1.117 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.765 -9.002 -3.373 1.00 11.71 C ATOM 0 H THR A 55 -6.984 -9.929 -1.359 1.00 9.05 H new ATOM 0 HA THR A 55 -6.809 -7.343 -2.517 1.00 9.03 H new ATOM 0 HB THR A 55 -9.091 -7.084 -2.388 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.344 -8.921 -1.462 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.802 -9.113 -3.688 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.182 -8.574 -4.188 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.359 -9.979 -3.110 1.00 11.71 H new ATOM 885 N LEU A 56 -7.542 -5.846 -0.480 1.00 6.91 N ATOM 886 CA LEU A 56 -7.741 -4.992 0.649 1.00 8.29 C ATOM 887 C LEU A 56 -8.900 -5.272 1.542 1.00 8.05 C ATOM 888 O LEU A 56 -8.820 -5.021 2.743 1.00 10.17 O ATOM 889 CB LEU A 56 -7.745 -3.508 0.245 1.00 6.60 C ATOM 890 CG LEU A 56 -6.551 -2.810 -0.428 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.019 -1.490 -1.063 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.480 -2.597 0.655 1.00 9.85 C ATOM 0 H LEU A 56 -7.705 -5.362 -1.363 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.873 -5.235 1.262 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.596 -3.374 -0.423 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.960 -2.943 1.152 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.127 -3.410 -1.233 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.173 -0.995 -1.540 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.786 -1.697 -1.809 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.431 -0.840 -0.290 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.613 -2.103 0.217 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.888 -1.976 1.453 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.179 -3.562 1.064 1.00 9.85 H new ATOM 904 N SER A 57 -10.002 -5.819 0.998 1.00 8.92 N ATOM 905 CA SER A 57 -11.161 -6.395 1.605 1.00 9.00 C ATOM 906 C SER A 57 -10.762 -7.495 2.526 1.00 9.44 C ATOM 907 O SER A 57 -11.345 -7.695 3.591 1.00 10.91 O ATOM 908 CB SER A 57 -12.110 -7.188 0.690 1.00 10.32 C ATOM 909 OG SER A 57 -12.823 -6.261 -0.116 1.00 13.59 O ATOM 0 H SER A 57 -10.085 -5.860 -0.018 1.00 8.92 H new ATOM 0 HA SER A 57 -11.641 -5.510 2.022 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.546 -7.880 0.065 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.801 -7.786 1.285 1.00 10.32 H new ATOM 0 HG SER A 57 -12.189 -5.718 -0.629 1.00 13.59 H new ATOM 915 N ASP A 58 -9.796 -8.346 2.134 1.00 9.11 N ATOM 916 CA ASP A 58 -9.351 -9.492 2.864 1.00 7.91 C ATOM 917 C ASP A 58 -8.675 -9.190 4.157 1.00 9.12 C ATOM 918 O ASP A 58 -8.898 -9.822 5.189 1.00 8.61 O ATOM 919 CB ASP A 58 -8.405 -10.306 1.966 1.00 8.41 C ATOM 920 CG ASP A 58 -8.285 -11.711 2.538 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.278 -12.486 2.518 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.220 -12.084 3.099 1.00 10.05 O ATOM 0 H ASP A 58 -9.296 -8.225 1.253 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.246 -10.053 3.132 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.790 -10.344 0.947 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.425 -9.831 1.920 1.00 8.41 H new ATOM 927 N TYR A 59 -7.970 -8.045 4.200 1.00 7.97 N ATOM 928 CA TYR A 59 -7.247 -7.492 5.303 1.00 8.45 C ATOM 929 C TYR A 59 -8.186 -6.749 6.189 1.00 10.98 C ATOM 930 O TYR A 59 -7.871 -6.692 7.377 1.00 12.95 O ATOM 931 CB TYR A 59 -6.150 -6.513 4.851 1.00 7.94 C ATOM 932 CG TYR A 59 -4.991 -7.358 4.447 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.165 -7.963 5.364 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.599 -7.322 3.129 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.048 -8.670 4.986 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.530 -8.073 2.700 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.741 -8.685 3.645 1.00 6.76 C ATOM 938 OH TYR A 59 -1.598 -9.403 3.233 1.00 7.63 O ATOM 0 H TYR A 59 -7.901 -7.448 3.376 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.777 -8.325 5.826 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.494 -5.898 4.019 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.876 -5.834 5.658 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.401 -7.880 6.415 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.134 -6.700 2.427 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.439 -9.191 5.710 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.316 -8.179 1.647 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.621 -10.304 3.618 1.00 7.63 H new ATOM 948 N ASN A 60 -9.224 -6.174 5.556 1.00 12.38 N ATOM 949 CA ASN A 60 -10.133 -5.198 6.072 1.00 13.94 C ATOM 950 C ASN A 60 -9.584 -3.820 6.210 1.00 14.16 C ATOM 951 O ASN A 60 -9.454 -3.185 7.255 1.00 14.26 O ATOM 952 CB ASN A 60 -10.815 -5.514 7.413 1.00 19.23 C ATOM 953 CG ASN A 60 -11.541 -6.851 7.388 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.067 -7.936 7.724 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.854 -6.682 7.076 1.00 24.09 N ATOM 0 H ASN A 60 -9.446 -6.417 4.591 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.874 -5.247 5.274 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.067 -5.524 8.206 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.524 -4.722 7.654 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.494 -7.476 7.115 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.199 -5.762 6.803 1.00 24.09 H new ATOM 962 N ILE A 61 -9.131 -3.259 5.074 1.00 11.08 N ATOM 963 CA ILE A 61 -8.503 -1.979 4.965 1.00 11.78 C ATOM 964 C ILE A 61 -9.515 -1.058 4.376 1.00 13.74 C ATOM 965 O ILE A 61 -10.212 -1.410 3.426 1.00 14.60 O ATOM 966 CB ILE A 61 -7.219 -2.133 4.205 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.307 -3.044 5.044 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.613 -0.724 4.090 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.954 -3.118 4.336 1.00 11.42 C ATOM 0 H ILE A 61 -9.209 -3.732 4.173 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.201 -1.542 5.916 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.352 -2.566 3.213 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.191 -2.646 6.052 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.743 -4.038 5.142 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.672 -0.776 3.543 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.306 -0.072 3.558 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.431 -0.324 5.087 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.280 -3.758 4.905 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.089 -3.531 3.336 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.527 -2.118 4.261 1.00 11.42 H new ATOM 981 N GLN A 62 -9.619 0.153 4.953 1.00 13.97 N ATOM 982 CA GLN A 62 -10.783 0.982 4.921 1.00 15.52 C ATOM 983 C GLN A 62 -10.563 2.282 4.228 1.00 13.94 C ATOM 984 O GLN A 62 -9.554 2.469 3.550 1.00 12.15 O ATOM 985 CB GLN A 62 -11.318 1.129 6.355 1.00 19.53 C ATOM 986 CG GLN A 62 -11.759 -0.196 6.979 1.00 26.38 C ATOM 987 CD GLN A 62 -12.293 0.098 8.374 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.440 -0.291 8.586 1.00 33.23 O ATOM 989 NE2 GLN A 62 -11.457 0.645 9.297 1.00 32.71 N ATOM 0 H GLN A 62 -8.848 0.576 5.470 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.547 0.499 4.312 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.544 1.576 6.979 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.162 1.819 6.351 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.528 -0.668 6.368 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -10.921 -0.891 7.030 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -10.519 0.939 9.025 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -11.768 0.761 10.261 1.00 32.71 H new ATOM 998 N LYS A 63 -11.482 3.260 4.320 1.00 11.73 N ATOM 999 CA LYS A 63 -11.267 4.610 3.898 1.00 11.97 C ATOM 1000 C LYS A 63 -10.570 5.373 4.971 1.00 10.41 C ATOM 1001 O LYS A 63 -10.861 5.242 6.159 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.472 5.408 3.374 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.412 5.676 4.551 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.735 6.270 4.063 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.818 6.199 5.141 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.157 6.676 4.728 1.00 25.97 N ATOM 0 H LYS A 63 -12.414 3.104 4.704 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.651 4.494 3.006 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.142 6.347 2.929 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.989 4.849 2.594 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -13.601 4.748 5.090 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.937 6.361 5.253 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -14.581 7.308 3.769 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.069 5.733 3.175 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.906 5.165 5.476 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.491 6.785 6.000 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.818 6.588 5.526 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.096 7.673 4.438 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.499 6.103 3.930 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.546 6.136 4.550 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.678 6.911 5.382 1.00 10.94 C ATOM 1022 C GLU A 64 -7.767 6.094 6.232 1.00 9.74 C ATOM 1023 O GLU A 64 -7.453 6.339 7.395 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.363 8.004 6.219 1.00 18.31 C ATOM 1025 CG GLU A 64 -9.910 9.204 5.444 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.795 10.159 6.231 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -10.379 10.722 7.279 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -11.916 10.382 5.701 1.00 31.72 O ATOM 0 H GLU A 64 -9.309 6.217 3.561 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.069 7.435 4.645 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.185 7.548 6.770 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.648 8.369 6.957 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.067 9.768 5.044 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.479 8.832 4.592 1.00 24.16 H new ATOM 1035 N SER A 65 -7.293 4.994 5.620 1.00 6.85 N ATOM 1036 CA SER A 65 -6.508 4.018 6.310 1.00 6.90 C ATOM 1037 C SER A 65 -5.076 4.295 6.010 1.00 4.72 C ATOM 1038 O SER A 65 -4.647 4.564 4.889 1.00 3.91 O ATOM 1039 CB SER A 65 -6.760 2.574 5.843 1.00 7.28 C ATOM 1040 OG SER A 65 -8.016 2.070 6.272 1.00 10.56 O ATOM 0 H SER A 65 -7.456 4.779 4.636 1.00 6.85 H new ATOM 0 HA SER A 65 -6.774 4.093 7.364 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.710 2.535 4.755 1.00 7.28 H new ATOM 0 HB3 SER A 65 -5.966 1.930 6.222 1.00 7.28 H new ATOM 0 HG SER A 65 -7.876 1.379 6.952 1.00 10.56 H new ATOM 1046 N THR A 66 -4.242 4.283 7.066 1.00 4.48 N ATOM 1047 CA THR A 66 -2.868 4.654 6.925 1.00 3.80 C ATOM 1048 C THR A 66 -2.003 3.456 6.734 1.00 4.60 C ATOM 1049 O THR A 66 -2.113 2.448 7.430 1.00 5.33 O ATOM 1050 CB THR A 66 -2.315 5.231 8.194 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.213 6.213 8.689 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.976 5.917 7.873 1.00 3.40 C ATOM 0 H THR A 66 -4.517 4.018 8.012 1.00 4.48 H new ATOM 0 HA THR A 66 -2.856 5.351 6.087 1.00 3.80 H new ATOM 0 HB THR A 66 -2.178 4.442 8.934 1.00 2.85 H new ATOM 0 HG1 THR A 66 -2.857 6.592 9.520 1.00 2.15 H new ATOM 0 HG21 THR A 66 -0.558 6.343 8.785 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.281 5.184 7.463 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.139 6.710 7.143 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.229 3.406 5.635 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.321 2.400 5.181 1.00 3.85 C ATOM 1062 C LEU A 67 1.070 2.917 5.320 1.00 3.80 C ATOM 1063 O LEU A 67 1.265 4.055 4.895 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.611 1.933 3.744 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.879 1.131 3.405 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.201 1.913 3.474 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.633 0.502 2.022 1.00 8.12 C ATOM 0 H LEU A 67 -1.248 4.184 4.976 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.451 1.513 5.802 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.621 2.824 3.116 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.240 1.330 3.428 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.030 0.375 4.176 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.029 1.252 3.217 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.344 2.297 4.484 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.169 2.745 2.770 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.505 -0.082 1.728 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.461 1.290 1.289 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.759 -0.148 2.068 1.00 8.12 H new ATOM 1079 N HIS A 68 2.040 2.171 5.877 1.00 2.94 N ATOM 1080 CA HIS A 68 3.369 2.634 6.132 1.00 4.17 C ATOM 1081 C HIS A 68 4.348 2.097 5.145 1.00 5.32 C ATOM 1082 O HIS A 68 4.666 0.909 5.163 1.00 7.70 O ATOM 1083 CB HIS A 68 3.683 2.340 7.608 1.00 5.57 C ATOM 1084 CG HIS A 68 2.678 2.994 8.510 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.599 4.365 8.646 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.896 2.535 9.523 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.733 4.655 9.654 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.293 3.553 10.233 1.00 16.30 N ATOM 0 H HIS A 68 1.892 1.203 6.162 1.00 2.94 H new ATOM 0 HA HIS A 68 3.453 3.711 5.985 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.682 1.263 7.777 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.683 2.700 7.850 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.761 1.487 9.748 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.444 5.655 9.943 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.654 3.473 11.024 1.00 16.30 H new ATOM 1096 N LEU A 69 4.834 2.911 4.190 1.00 5.29 N ATOM 1097 CA LEU A 69 5.764 2.601 3.149 1.00 3.97 C ATOM 1098 C LEU A 69 7.165 2.587 3.658 1.00 5.07 C ATOM 1099 O LEU A 69 7.662 3.542 4.253 1.00 4.34 O ATOM 1100 CB LEU A 69 5.601 3.518 1.926 1.00 6.08 C ATOM 1101 CG LEU A 69 6.344 3.063 0.658 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.567 3.537 -0.581 1.00 9.96 C ATOM 1103 CD2 LEU A 69 7.794 3.540 0.473 1.00 6.87 C ATOM 0 H LEU A 69 4.543 3.888 4.146 1.00 5.29 H new ATOM 0 HA LEU A 69 5.534 1.592 2.805 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.539 3.602 1.694 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.949 4.516 2.192 1.00 6.08 H new ATOM 0 HG LEU A 69 6.398 1.981 0.779 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.089 3.217 -1.483 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.566 3.106 -0.570 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.494 4.625 -0.571 1.00 9.96 H new ATOM 0 HD21 LEU A 69 8.191 3.144 -0.462 1.00 6.87 H new ATOM 0 HD22 LEU A 69 7.818 4.629 0.444 1.00 6.87 H new ATOM 0 HD23 LEU A 69 8.403 3.186 1.305 1.00 6.87 H new ATOM 1115 N VAL A 70 7.820 1.423 3.502 1.00 4.29 N ATOM 1116 CA VAL A 70 9.119 1.177 4.046 1.00 6.26 C ATOM 1117 C VAL A 70 9.923 0.726 2.875 1.00 9.22 C ATOM 1118 O VAL A 70 9.500 0.495 1.744 1.00 9.36 O ATOM 1119 CB VAL A 70 9.154 0.198 5.182 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.552 0.890 6.417 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.384 -1.055 4.733 1.00 8.54 C ATOM 0 H VAL A 70 7.436 0.632 2.984 1.00 4.29 H new ATOM 0 HA VAL A 70 9.516 2.077 4.516 1.00 6.26 H new ATOM 0 HB VAL A 70 10.161 -0.118 5.453 1.00 8.69 H new ATOM 0 HG11 VAL A 70 8.564 0.201 7.262 1.00 9.76 H new ATOM 0 HG12 VAL A 70 9.140 1.774 6.662 1.00 9.76 H new ATOM 0 HG13 VAL A 70 7.525 1.185 6.204 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.388 -1.792 5.536 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.356 -0.784 4.494 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.862 -1.479 3.850 1.00 8.54 H new ATOM 1131 N LEU A 71 11.235 0.558 3.121 1.00 12.71 N ATOM 1132 CA LEU A 71 12.129 0.016 2.145 1.00 16.06 C ATOM 1133 C LEU A 71 12.115 -1.473 2.200 1.00 18.09 C ATOM 1134 O LEU A 71 12.240 -2.090 3.256 1.00 19.26 O ATOM 1135 CB LEU A 71 13.541 0.560 2.419 1.00 17.10 C ATOM 1136 CG LEU A 71 14.505 0.432 1.227 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.078 1.090 -0.096 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.909 0.940 1.598 1.00 17.51 C ATOM 0 H LEU A 71 11.680 0.801 4.006 1.00 12.71 H new ATOM 0 HA LEU A 71 11.813 0.313 1.145 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.466 1.610 2.701 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.964 0.030 3.273 1.00 17.10 H new ATOM 0 HG LEU A 71 14.494 -0.640 1.028 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.847 0.924 -0.850 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.139 0.652 -0.434 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.945 2.161 0.057 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.572 0.839 0.738 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.851 1.989 1.890 1.00 17.51 H new ATOM 0 HD23 LEU A 71 16.300 0.353 2.429 1.00 17.51 H new