USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 74 TYR OH : rot 151:sc= 0.902 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 151:sc= 1.03 (180deg=-0.173) USER MOD Set 2.1: A 75 THR OG1 : rot 180:sc= 0.0702 USER MOD Set 2.2: A 81 THR OG1 : rot -67:sc= 0.483 USER MOD Set 3.1: A 13 SER OG : rot 160:sc= 1.03 USER MOD Set 3.2: A 35 LYS NZ :NH3+ -177:sc= 1.21 (180deg=-0.00752) USER MOD Set 4.1: A 3 THR OG1 : rot -169:sc= 2.11 USER MOD Set 4.2: A 9 TYR OH : rot 130:sc= 0 USER MOD Set 4.3: A 28 CYS SG : rot 77:sc= -0.445 USER MOD Set 4.4: A 31 MET CE :methyl 138:sc= -0.263 (180deg=-1.68) USER MOD Single : A 1 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.00045) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -161:sc= -0.1 (180deg=-0.55) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.0315 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.73 USER MOD Single : A 11 GLN : amide:sc= 1.2 K(o=1.2,f=-0.23) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 16 TYR OH : rot 140:sc= 0.11 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.483) USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= -0.604! (180deg=-3.32!) USER MOD Single : A 41 HIS : no HE2:sc= -3.21! C(o=-3.2!,f=-3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 1.51 (180deg=0.755) USER MOD Single : A 68 SER OG : rot -121:sc= 1.23 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 71 MET CE :methyl 155:sc= -0.254 (180deg=-1.68) USER MOD Single : A 78 CYS SG : rot -40:sc= -0.0313 USER MOD Single : A 79 TYR OH : rot -171:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.102 6.640 -12.856 1.00 0.00 N ATOM 2 CA HIS A 1 1.369 6.424 -11.621 1.00 0.00 C ATOM 3 C HIS A 1 2.251 6.588 -10.414 1.00 0.00 C ATOM 4 O HIS A 1 3.131 5.786 -10.174 1.00 0.00 O ATOM 5 CB HIS A 1 0.656 5.060 -11.594 1.00 0.00 C ATOM 6 CG HIS A 1 -0.570 5.013 -12.438 1.00 0.00 C ATOM 7 ND1 HIS A 1 -0.809 4.088 -13.428 1.00 0.00 N ATOM 8 CD2 HIS A 1 -1.661 5.803 -12.394 1.00 0.00 C ATOM 9 CE1 HIS A 1 -2.016 4.345 -13.946 1.00 0.00 C ATOM 10 NE2 HIS A 1 -2.576 5.384 -13.347 1.00 0.00 N ATOM 0 H1 HIS A 1 1.461 6.518 -13.666 1.00 0.00 H new ATOM 0 H2 HIS A 1 2.492 7.604 -12.864 1.00 0.00 H new ATOM 0 H3 HIS A 1 2.879 5.952 -12.923 1.00 0.00 H new ATOM 0 HA HIS A 1 0.599 7.194 -11.584 1.00 0.00 H new ATOM 0 HB2 HIS A 1 1.350 4.290 -11.932 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.389 4.819 -10.565 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -1.801 6.635 -11.720 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -2.472 3.780 -14.746 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -3.490 5.791 -13.545 1.00 0.00 H new ATOM 18 N MET A 2 2.026 7.660 -9.685 1.00 0.00 N ATOM 19 CA MET A 2 2.708 7.987 -8.454 1.00 0.00 C ATOM 20 C MET A 2 1.700 8.725 -7.585 1.00 0.00 C ATOM 21 O MET A 2 1.127 9.736 -8.014 1.00 0.00 O ATOM 22 CB MET A 2 3.923 8.883 -8.700 1.00 0.00 C ATOM 23 CG MET A 2 5.057 8.242 -9.487 1.00 0.00 C ATOM 24 SD MET A 2 6.468 9.344 -9.744 1.00 0.00 S ATOM 25 CE MET A 2 5.714 10.648 -10.722 1.00 0.00 C ATOM 0 H MET A 2 1.331 8.358 -9.948 1.00 0.00 H new ATOM 0 HA MET A 2 3.074 7.077 -7.978 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.593 9.776 -9.232 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.312 9.211 -7.736 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.394 7.349 -8.961 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.678 7.917 -10.456 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.491 11.212 -11.238 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.038 10.208 -11.455 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.154 11.316 -10.068 1.00 0.00 H new ATOM 35 N THR A 3 1.460 8.228 -6.414 1.00 0.00 N ATOM 36 CA THR A 3 0.480 8.812 -5.530 1.00 0.00 C ATOM 37 C THR A 3 1.137 9.698 -4.504 1.00 0.00 C ATOM 38 O THR A 3 1.930 9.231 -3.680 1.00 0.00 O ATOM 39 CB THR A 3 -0.351 7.722 -4.810 1.00 0.00 C ATOM 40 OG1 THR A 3 -1.066 6.939 -5.775 1.00 0.00 O ATOM 41 CG2 THR A 3 -1.340 8.333 -3.829 1.00 0.00 C ATOM 0 H THR A 3 1.933 7.407 -6.036 1.00 0.00 H new ATOM 0 HA THR A 3 -0.188 9.413 -6.146 1.00 0.00 H new ATOM 0 HB THR A 3 0.340 7.090 -4.253 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.724 6.376 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.906 7.539 -3.342 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.799 8.907 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.024 8.991 -4.365 1.00 0.00 H new ATOM 49 N PHE A 4 0.854 10.977 -4.582 1.00 0.00 N ATOM 50 CA PHE A 4 1.374 11.913 -3.619 1.00 0.00 C ATOM 51 C PHE A 4 0.239 12.755 -3.076 1.00 0.00 C ATOM 52 O PHE A 4 0.451 13.751 -2.395 1.00 0.00 O ATOM 53 CB PHE A 4 2.467 12.803 -4.208 1.00 0.00 C ATOM 54 CG PHE A 4 3.611 12.018 -4.719 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.417 11.323 -3.847 1.00 0.00 C ATOM 56 CD2 PHE A 4 3.847 11.923 -6.070 1.00 0.00 C ATOM 57 CE1 PHE A 4 5.439 10.549 -4.312 1.00 0.00 C ATOM 58 CE2 PHE A 4 4.863 11.142 -6.538 1.00 0.00 C ATOM 59 CZ PHE A 4 5.659 10.454 -5.657 1.00 0.00 C ATOM 0 H PHE A 4 0.265 11.392 -5.304 1.00 0.00 H new ATOM 0 HA PHE A 4 1.834 11.345 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.049 13.402 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.817 13.498 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.239 11.391 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.225 12.469 -6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.072 10.013 -3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.041 11.065 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.462 9.835 -6.028 1.00 0.00 H new ATOM 69 N CYS A 5 -0.964 12.306 -3.327 1.00 0.00 N ATOM 70 CA CYS A 5 -2.158 12.956 -2.844 1.00 0.00 C ATOM 71 C CYS A 5 -3.094 11.876 -2.301 1.00 0.00 C ATOM 72 O CYS A 5 -3.737 11.173 -3.067 1.00 0.00 O ATOM 73 CB CYS A 5 -2.822 13.749 -3.973 1.00 0.00 C ATOM 74 SG CYS A 5 -1.774 15.033 -4.699 1.00 0.00 S ATOM 0 H CYS A 5 -1.146 11.468 -3.880 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.916 13.663 -2.051 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.124 13.056 -4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -3.731 14.212 -3.590 1.00 0.00 H new ATOM 0 HG CYS A 5 -2.426 15.643 -5.644 1.00 0.00 H new ATOM 80 N LEU A 6 -3.156 11.746 -0.977 1.00 0.00 N ATOM 81 CA LEU A 6 -3.951 10.688 -0.363 1.00 0.00 C ATOM 82 C LEU A 6 -5.444 11.030 -0.346 1.00 0.00 C ATOM 83 O LEU A 6 -6.312 10.175 -0.515 1.00 0.00 O ATOM 84 CB LEU A 6 -3.430 10.313 1.077 1.00 0.00 C ATOM 85 CG LEU A 6 -3.671 11.243 2.309 1.00 0.00 C ATOM 86 CD1 LEU A 6 -3.303 12.696 2.078 1.00 0.00 C ATOM 87 CD2 LEU A 6 -5.073 11.097 2.883 1.00 0.00 C ATOM 0 H LEU A 6 -2.671 12.353 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.828 9.804 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.861 9.343 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.352 10.171 0.995 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.970 10.886 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.502 13.270 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.245 12.768 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.898 13.096 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.188 11.765 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.807 11.354 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.229 10.067 3.204 1.00 0.00 H new ATOM 99 N GLU A 7 -5.726 12.303 -0.190 1.00 0.00 N ATOM 100 CA GLU A 7 -7.074 12.808 -0.087 1.00 0.00 C ATOM 101 C GLU A 7 -7.768 12.786 -1.445 1.00 0.00 C ATOM 102 O GLU A 7 -8.990 12.742 -1.534 1.00 0.00 O ATOM 103 CB GLU A 7 -7.032 14.198 0.597 1.00 0.00 C ATOM 104 CG GLU A 7 -8.232 15.119 0.416 1.00 0.00 C ATOM 105 CD GLU A 7 -9.483 14.693 1.131 1.00 0.00 C ATOM 106 OE1 GLU A 7 -9.498 14.696 2.379 1.00 0.00 O ATOM 107 OE2 GLU A 7 -10.486 14.417 0.458 1.00 0.00 O ATOM 0 H GLU A 7 -5.012 13.029 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.687 12.163 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.890 14.040 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.149 14.723 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.959 16.116 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.451 15.198 -0.649 1.00 0.00 H new ATOM 114 N THR A 8 -6.997 12.750 -2.499 1.00 0.00 N ATOM 115 CA THR A 8 -7.573 12.666 -3.803 1.00 0.00 C ATOM 116 C THR A 8 -8.167 11.277 -3.973 1.00 0.00 C ATOM 117 O THR A 8 -9.244 11.123 -4.517 1.00 0.00 O ATOM 118 CB THR A 8 -6.534 12.939 -4.871 1.00 0.00 C ATOM 119 OG1 THR A 8 -5.820 14.127 -4.505 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.191 13.149 -6.228 1.00 0.00 C ATOM 0 H THR A 8 -5.978 12.778 -2.476 1.00 0.00 H new ATOM 0 HA THR A 8 -8.353 13.420 -3.911 1.00 0.00 H new ATOM 0 HB THR A 8 -5.861 12.085 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.254 14.412 -5.253 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.424 13.343 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.750 12.255 -6.504 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.871 14.000 -6.176 1.00 0.00 H new ATOM 128 N TYR A 9 -7.507 10.286 -3.386 1.00 0.00 N ATOM 129 CA TYR A 9 -7.978 8.930 -3.444 1.00 0.00 C ATOM 130 C TYR A 9 -9.213 8.745 -2.624 1.00 0.00 C ATOM 131 O TYR A 9 -10.059 7.905 -2.945 1.00 0.00 O ATOM 132 CB TYR A 9 -6.893 7.927 -3.110 1.00 0.00 C ATOM 133 CG TYR A 9 -6.073 7.598 -4.324 1.00 0.00 C ATOM 134 CD1 TYR A 9 -4.973 8.358 -4.680 1.00 0.00 C ATOM 135 CD2 TYR A 9 -6.440 6.545 -5.149 1.00 0.00 C ATOM 136 CE1 TYR A 9 -4.259 8.077 -5.827 1.00 0.00 C ATOM 137 CE2 TYR A 9 -5.728 6.251 -6.289 1.00 0.00 C ATOM 138 CZ TYR A 9 -4.638 7.022 -6.625 1.00 0.00 C ATOM 139 OH TYR A 9 -3.931 6.744 -7.779 1.00 0.00 O ATOM 0 H TYR A 9 -6.639 10.409 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.256 8.728 -4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.248 8.330 -2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.343 7.017 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.669 9.182 -4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.300 5.945 -4.892 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.406 8.682 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.022 5.422 -6.915 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.698 5.792 -7.799 1.00 0.00 H new ATOM 149 N LEU A 10 -9.344 9.575 -1.602 1.00 0.00 N ATOM 150 CA LEU A 10 -10.513 9.578 -0.752 1.00 0.00 C ATOM 151 C LEU A 10 -11.699 9.916 -1.656 1.00 0.00 C ATOM 152 O LEU A 10 -12.665 9.166 -1.769 1.00 0.00 O ATOM 153 CB LEU A 10 -10.347 10.669 0.359 1.00 0.00 C ATOM 154 CG LEU A 10 -11.350 10.680 1.546 1.00 0.00 C ATOM 155 CD1 LEU A 10 -10.828 11.573 2.654 1.00 0.00 C ATOM 156 CD2 LEU A 10 -12.724 11.180 1.123 1.00 0.00 C ATOM 0 H LEU A 10 -8.639 10.265 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.659 8.617 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.344 10.569 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.396 11.644 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.448 9.653 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.536 11.576 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.865 11.198 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.707 12.588 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.395 11.172 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.639 12.196 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -13.124 10.530 0.345 1.00 0.00 H new ATOM 168 N GLN A 11 -11.520 10.989 -2.389 1.00 0.00 N ATOM 169 CA GLN A 11 -12.507 11.543 -3.279 1.00 0.00 C ATOM 170 C GLN A 11 -12.758 10.646 -4.481 1.00 0.00 C ATOM 171 O GLN A 11 -13.846 10.639 -5.041 1.00 0.00 O ATOM 172 CB GLN A 11 -12.024 12.921 -3.711 1.00 0.00 C ATOM 173 CG GLN A 11 -11.953 13.885 -2.546 1.00 0.00 C ATOM 174 CD GLN A 11 -11.373 15.231 -2.887 1.00 0.00 C ATOM 175 OE1 GLN A 11 -11.488 15.730 -4.018 1.00 0.00 O ATOM 176 NE2 GLN A 11 -10.743 15.832 -1.925 1.00 0.00 N ATOM 0 H GLN A 11 -10.649 11.519 -2.380 1.00 0.00 H new ATOM 0 HA GLN A 11 -13.462 11.622 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.039 12.833 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.696 13.319 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.957 14.026 -2.146 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.354 13.435 -1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.670 15.390 -1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.321 16.747 -2.085 1.00 0.00 H new ATOM 185 N GLN A 12 -11.763 9.887 -4.856 1.00 0.00 N ATOM 186 CA GLN A 12 -11.872 9.008 -5.982 1.00 0.00 C ATOM 187 C GLN A 12 -12.654 7.763 -5.643 1.00 0.00 C ATOM 188 O GLN A 12 -13.549 7.360 -6.395 1.00 0.00 O ATOM 189 CB GLN A 12 -10.501 8.623 -6.531 1.00 0.00 C ATOM 190 CG GLN A 12 -9.765 9.748 -7.230 1.00 0.00 C ATOM 191 CD GLN A 12 -8.372 9.344 -7.643 1.00 0.00 C ATOM 192 OE1 GLN A 12 -7.416 9.524 -6.905 1.00 0.00 O ATOM 193 NE2 GLN A 12 -8.249 8.775 -8.810 1.00 0.00 N ATOM 0 H GLN A 12 -10.857 9.863 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.412 9.557 -6.753 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.884 8.258 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.623 7.796 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.328 10.057 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.710 10.612 -6.567 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.070 8.640 -9.401 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.332 8.464 -9.132 1.00 0.00 H new ATOM 202 N SER A 13 -12.356 7.180 -4.497 1.00 0.00 N ATOM 203 CA SER A 13 -12.992 5.945 -4.104 1.00 0.00 C ATOM 204 C SER A 13 -13.133 5.865 -2.597 1.00 0.00 C ATOM 205 O SER A 13 -14.216 5.604 -2.068 1.00 0.00 O ATOM 206 CB SER A 13 -12.171 4.745 -4.608 1.00 0.00 C ATOM 207 OG SER A 13 -11.960 4.781 -6.024 1.00 0.00 O ATOM 0 H SER A 13 -11.679 7.544 -3.826 1.00 0.00 H new ATOM 0 HA SER A 13 -13.987 5.919 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.207 4.730 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.685 3.821 -4.344 1.00 0.00 H new ATOM 0 HG SER A 13 -11.196 4.213 -6.255 1.00 0.00 H new ATOM 213 N GLY A 14 -12.052 6.098 -1.929 1.00 0.00 N ATOM 214 CA GLY A 14 -12.003 6.018 -0.510 1.00 0.00 C ATOM 215 C GLY A 14 -10.580 6.013 -0.088 1.00 0.00 C ATOM 216 O GLY A 14 -9.698 5.797 -0.928 1.00 0.00 O ATOM 0 H GLY A 14 -11.165 6.353 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.527 6.863 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.504 5.114 -0.164 1.00 0.00 H new ATOM 220 N GLU A 15 -10.328 6.279 1.162 1.00 0.00 N ATOM 221 CA GLU A 15 -8.978 6.319 1.661 1.00 0.00 C ATOM 222 C GLU A 15 -8.328 4.938 1.587 1.00 0.00 C ATOM 223 O GLU A 15 -8.974 3.908 1.820 1.00 0.00 O ATOM 224 CB GLU A 15 -8.893 6.843 3.115 1.00 0.00 C ATOM 225 CG GLU A 15 -9.656 8.127 3.414 1.00 0.00 C ATOM 226 CD GLU A 15 -11.108 7.892 3.782 1.00 0.00 C ATOM 227 OE1 GLU A 15 -11.928 7.573 2.898 1.00 0.00 O ATOM 228 OE2 GLU A 15 -11.451 8.023 4.971 1.00 0.00 O ATOM 0 H GLU A 15 -11.045 6.473 1.861 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.440 7.017 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.260 6.063 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.843 7.004 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.162 8.653 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.611 8.779 2.542 1.00 0.00 H new ATOM 235 N TYR A 16 -7.086 4.940 1.199 1.00 0.00 N ATOM 236 CA TYR A 16 -6.255 3.750 1.119 1.00 0.00 C ATOM 237 C TYR A 16 -4.925 4.084 1.801 1.00 0.00 C ATOM 238 O TYR A 16 -4.026 3.252 1.941 1.00 0.00 O ATOM 239 CB TYR A 16 -6.059 3.386 -0.373 1.00 0.00 C ATOM 240 CG TYR A 16 -5.113 2.234 -0.669 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.475 0.917 -0.424 1.00 0.00 C ATOM 242 CD2 TYR A 16 -3.851 2.478 -1.198 1.00 0.00 C ATOM 243 CE1 TYR A 16 -4.605 -0.122 -0.701 1.00 0.00 C ATOM 244 CE2 TYR A 16 -2.982 1.447 -1.475 1.00 0.00 C ATOM 245 CZ TYR A 16 -3.358 0.155 -1.230 1.00 0.00 C ATOM 246 OH TYR A 16 -2.481 -0.867 -1.511 1.00 0.00 O ATOM 0 H TYR A 16 -6.598 5.791 0.918 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.708 2.892 1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.034 3.145 -0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.694 4.270 -0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.449 0.700 -0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.547 3.495 -1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.898 -1.143 -0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.005 1.658 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.025 -0.683 -2.359 1.00 0.00 H new ATOM 256 N GLU A 17 -4.892 5.290 2.322 1.00 0.00 N ATOM 257 CA GLU A 17 -3.756 5.891 2.942 1.00 0.00 C ATOM 258 C GLU A 17 -4.305 6.844 4.000 1.00 0.00 C ATOM 259 O GLU A 17 -5.375 7.460 3.790 1.00 0.00 O ATOM 260 CB GLU A 17 -2.952 6.702 1.899 1.00 0.00 C ATOM 261 CG GLU A 17 -2.404 5.896 0.725 1.00 0.00 C ATOM 262 CD GLU A 17 -1.776 6.766 -0.344 1.00 0.00 C ATOM 263 OE1 GLU A 17 -2.454 7.699 -0.830 1.00 0.00 O ATOM 264 OE2 GLU A 17 -0.603 6.524 -0.717 1.00 0.00 O ATOM 0 H GLU A 17 -5.707 5.903 2.319 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.097 5.137 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.591 7.493 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.118 7.187 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.662 5.187 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.211 5.312 0.283 1.00 0.00 H new ATOM 271 N ILE A 18 -3.633 6.958 5.126 1.00 0.00 N ATOM 272 CA ILE A 18 -4.081 7.872 6.162 1.00 0.00 C ATOM 273 C ILE A 18 -3.604 9.304 5.821 1.00 0.00 C ATOM 274 O ILE A 18 -2.751 9.463 4.949 1.00 0.00 O ATOM 275 CB ILE A 18 -3.682 7.410 7.624 1.00 0.00 C ATOM 276 CG1 ILE A 18 -4.413 8.232 8.704 1.00 0.00 C ATOM 277 CG2 ILE A 18 -2.188 7.452 7.849 1.00 0.00 C ATOM 278 CD1 ILE A 18 -4.122 7.800 10.131 1.00 0.00 C ATOM 0 H ILE A 18 -2.785 6.437 5.349 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.171 7.866 6.176 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.002 6.372 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.138 9.281 8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.487 8.164 8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.964 7.127 8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.694 6.789 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.827 8.471 7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.678 8.432 10.823 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.424 6.761 10.266 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.055 7.896 10.330 1.00 0.00 H new ATOM 290 N HIS A 19 -4.177 10.337 6.454 1.00 0.00 N ATOM 291 CA HIS A 19 -3.812 11.728 6.182 1.00 0.00 C ATOM 292 C HIS A 19 -2.449 12.031 6.799 1.00 0.00 C ATOM 293 O HIS A 19 -2.322 12.612 7.884 1.00 0.00 O ATOM 294 CB HIS A 19 -4.896 12.715 6.676 1.00 0.00 C ATOM 295 CG HIS A 19 -4.640 14.150 6.284 1.00 0.00 C ATOM 296 ND1 HIS A 19 -4.159 15.111 7.144 1.00 0.00 N ATOM 297 CD2 HIS A 19 -4.798 14.768 5.090 1.00 0.00 C ATOM 298 CE1 HIS A 19 -4.034 16.252 6.472 1.00 0.00 C ATOM 299 NE2 HIS A 19 -4.412 16.101 5.212 1.00 0.00 N ATOM 0 H HIS A 19 -4.902 10.230 7.164 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.744 11.863 5.103 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.863 12.407 6.278 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.963 12.652 7.762 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.165 14.302 4.187 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -3.673 17.177 6.897 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.419 16.813 4.482 1.00 0.00 H new ATOM 307 N MET A 20 -1.494 11.475 6.167 1.00 0.00 N ATOM 308 CA MET A 20 -0.093 11.579 6.457 1.00 0.00 C ATOM 309 C MET A 20 0.612 11.672 5.117 1.00 0.00 C ATOM 310 O MET A 20 -0.076 11.674 4.080 1.00 0.00 O ATOM 311 CB MET A 20 0.358 10.337 7.234 1.00 0.00 C ATOM 312 CG MET A 20 -0.003 10.333 8.711 1.00 0.00 C ATOM 313 SD MET A 20 0.708 11.726 9.610 1.00 0.00 S ATOM 314 CE MET A 20 0.135 11.371 11.270 1.00 0.00 C ATOM 0 H MET A 20 -1.672 10.879 5.359 1.00 0.00 H new ATOM 0 HA MET A 20 0.138 12.450 7.070 1.00 0.00 H new ATOM 0 HB2 MET A 20 -0.081 9.456 6.766 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.440 10.242 7.140 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.088 10.355 8.815 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.341 9.402 9.162 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.492 12.144 11.951 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.955 11.351 11.282 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.519 10.402 11.588 1.00 0.00 H new ATOM 324 N LYS A 21 1.932 11.699 5.082 1.00 0.00 N ATOM 325 CA LYS A 21 2.622 11.850 3.808 1.00 0.00 C ATOM 326 C LYS A 21 2.713 10.545 3.083 1.00 0.00 C ATOM 327 O LYS A 21 3.307 9.579 3.564 1.00 0.00 O ATOM 328 CB LYS A 21 3.998 12.485 3.940 1.00 0.00 C ATOM 329 CG LYS A 21 3.978 13.888 4.501 1.00 0.00 C ATOM 330 CD LYS A 21 5.362 14.493 4.476 1.00 0.00 C ATOM 331 CE LYS A 21 5.422 15.771 5.283 1.00 0.00 C ATOM 332 NZ LYS A 21 5.080 15.531 6.705 1.00 0.00 N ATOM 0 H LYS A 21 2.538 11.621 5.898 1.00 0.00 H new ATOM 0 HA LYS A 21 2.016 12.539 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.616 11.857 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.473 12.504 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.294 14.507 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.602 13.871 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.081 13.776 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.652 14.698 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.422 16.199 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.733 16.502 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.532 16.256 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.048 15.578 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.420 14.590 6.990 1.00 0.00 H new ATOM 346 N ARG A 22 2.090 10.506 1.959 1.00 0.00 N ATOM 347 CA ARG A 22 2.048 9.353 1.166 1.00 0.00 C ATOM 348 C ARG A 22 2.951 9.545 -0.061 1.00 0.00 C ATOM 349 O ARG A 22 2.993 10.633 -0.659 1.00 0.00 O ATOM 350 CB ARG A 22 0.567 9.071 0.802 1.00 0.00 C ATOM 351 CG ARG A 22 -0.068 9.890 -0.337 1.00 0.00 C ATOM 352 CD ARG A 22 0.139 11.400 -0.238 1.00 0.00 C ATOM 353 NE ARG A 22 -0.197 12.034 1.042 1.00 0.00 N ATOM 354 CZ ARG A 22 0.022 13.355 1.294 1.00 0.00 C ATOM 355 NH1 ARG A 22 0.444 14.157 0.333 1.00 0.00 N ATOM 356 NH2 ARG A 22 -0.195 13.854 2.486 1.00 0.00 N ATOM 0 H ARG A 22 1.586 11.301 1.565 1.00 0.00 H new ATOM 0 HA ARG A 22 2.431 8.482 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.483 8.016 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.032 9.227 1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.342 9.544 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.138 9.686 -0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.185 11.614 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.455 11.876 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.613 11.460 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.608 13.788 -0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.606 15.145 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.532 13.252 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.027 14.845 2.662 1.00 0.00 H new ATOM 370 N ALA A 23 3.720 8.563 -0.353 1.00 0.00 N ATOM 371 CA ALA A 23 4.583 8.567 -1.495 1.00 0.00 C ATOM 372 C ALA A 23 4.470 7.214 -2.146 1.00 0.00 C ATOM 373 O ALA A 23 5.288 6.327 -1.935 1.00 0.00 O ATOM 374 CB ALA A 23 6.025 8.883 -1.102 1.00 0.00 C ATOM 0 H ALA A 23 3.775 7.709 0.203 1.00 0.00 H new ATOM 0 HA ALA A 23 4.284 9.347 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.654 8.878 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.067 9.866 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.384 8.130 -0.400 1.00 0.00 H new ATOM 380 N GLY A 24 3.434 7.041 -2.892 1.00 0.00 N ATOM 381 CA GLY A 24 3.172 5.774 -3.488 1.00 0.00 C ATOM 382 C GLY A 24 3.583 5.711 -4.913 1.00 0.00 C ATOM 383 O GLY A 24 2.753 5.834 -5.785 1.00 0.00 O ATOM 0 H GLY A 24 2.749 7.766 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.697 4.999 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.107 5.555 -3.412 1.00 0.00 H new ATOM 387 N PHE A 25 4.857 5.496 -5.159 1.00 0.00 N ATOM 388 CA PHE A 25 5.362 5.464 -6.526 1.00 0.00 C ATOM 389 C PHE A 25 4.856 4.239 -7.283 1.00 0.00 C ATOM 390 O PHE A 25 3.889 4.321 -8.000 1.00 0.00 O ATOM 391 CB PHE A 25 6.899 5.517 -6.586 1.00 0.00 C ATOM 392 CG PHE A 25 7.546 6.737 -5.977 1.00 0.00 C ATOM 393 CD1 PHE A 25 7.734 6.832 -4.607 1.00 0.00 C ATOM 394 CD2 PHE A 25 8.004 7.765 -6.781 1.00 0.00 C ATOM 395 CE1 PHE A 25 8.362 7.929 -4.050 1.00 0.00 C ATOM 396 CE2 PHE A 25 8.629 8.870 -6.230 1.00 0.00 C ATOM 397 CZ PHE A 25 8.810 8.951 -4.863 1.00 0.00 C ATOM 0 H PHE A 25 5.563 5.341 -4.439 1.00 0.00 H new ATOM 0 HA PHE A 25 4.976 6.361 -7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.293 4.633 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.204 5.452 -7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.384 6.037 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.872 7.705 -7.851 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.502 7.987 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.975 9.669 -6.869 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.300 9.811 -4.432 1.00 0.00 H new ATOM 407 N ARG A 26 5.460 3.087 -7.062 1.00 0.00 N ATOM 408 CA ARG A 26 5.043 1.912 -7.826 1.00 0.00 C ATOM 409 C ARG A 26 3.718 1.326 -7.360 1.00 0.00 C ATOM 410 O ARG A 26 2.937 0.856 -8.172 1.00 0.00 O ATOM 411 CB ARG A 26 6.123 0.840 -7.913 1.00 0.00 C ATOM 412 CG ARG A 26 7.453 1.344 -8.457 1.00 0.00 C ATOM 413 CD ARG A 26 8.270 0.213 -9.067 1.00 0.00 C ATOM 414 NE ARG A 26 7.689 -0.238 -10.346 1.00 0.00 N ATOM 415 CZ ARG A 26 7.129 -1.434 -10.593 1.00 0.00 C ATOM 416 NH1 ARG A 26 6.939 -2.299 -9.616 1.00 0.00 N ATOM 417 NH2 ARG A 26 6.739 -1.736 -11.817 1.00 0.00 N ATOM 0 H ARG A 26 6.212 2.934 -6.390 1.00 0.00 H new ATOM 0 HA ARG A 26 4.882 2.285 -8.837 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.284 0.420 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.766 0.030 -8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.272 2.111 -9.210 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.022 1.813 -7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.295 0.548 -9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.314 -0.624 -8.370 1.00 0.00 H new ATOM 0 HE ARG A 26 7.715 0.425 -11.121 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.218 -2.062 -8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.513 -3.205 -9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.863 -1.062 -12.573 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.314 -2.643 -12.007 1.00 0.00 H new ATOM 431 N GLU A 27 3.412 1.443 -6.065 1.00 0.00 N ATOM 432 CA GLU A 27 2.183 0.873 -5.531 1.00 0.00 C ATOM 433 C GLU A 27 0.978 1.681 -6.033 1.00 0.00 C ATOM 434 O GLU A 27 -0.160 1.254 -5.932 1.00 0.00 O ATOM 435 CB GLU A 27 2.309 0.784 -4.009 1.00 0.00 C ATOM 436 CG GLU A 27 1.180 0.138 -3.216 1.00 0.00 C ATOM 437 CD GLU A 27 0.577 -1.037 -3.851 1.00 0.00 C ATOM 438 OE1 GLU A 27 1.266 -2.028 -4.110 1.00 0.00 O ATOM 439 OE2 GLU A 27 -0.640 -1.032 -4.039 1.00 0.00 O ATOM 0 H GLU A 27 3.994 1.922 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 27 2.016 -0.143 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.225 0.237 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.442 1.797 -3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.562 -0.151 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.401 0.882 -3.047 1.00 0.00 H new ATOM 446 N CYS A 28 1.252 2.859 -6.611 1.00 0.00 N ATOM 447 CA CYS A 28 0.187 3.657 -7.214 1.00 0.00 C ATOM 448 C CYS A 28 -0.473 2.853 -8.350 1.00 0.00 C ATOM 449 O CYS A 28 -1.672 2.960 -8.591 1.00 0.00 O ATOM 450 CB CYS A 28 0.728 4.948 -7.789 1.00 0.00 C ATOM 451 SG CYS A 28 -0.533 6.062 -8.459 1.00 0.00 S ATOM 0 H CYS A 28 2.184 3.270 -6.671 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.539 3.894 -6.436 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.281 5.473 -7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.439 4.708 -8.579 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.147 6.661 -7.482 1.00 0.00 H new ATOM 457 N ALA A 29 0.324 2.020 -9.017 1.00 0.00 N ATOM 458 CA ALA A 29 -0.166 1.198 -10.096 1.00 0.00 C ATOM 459 C ALA A 29 -1.085 0.140 -9.563 1.00 0.00 C ATOM 460 O ALA A 29 -2.192 -0.074 -10.078 1.00 0.00 O ATOM 461 CB ALA A 29 0.986 0.586 -10.874 1.00 0.00 C ATOM 0 H ALA A 29 1.318 1.904 -8.819 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.731 1.826 -10.785 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.592 -0.030 -11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.606 1.380 -11.291 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.588 -0.032 -10.207 1.00 0.00 H new ATOM 467 N ALA A 30 -0.650 -0.471 -8.509 1.00 0.00 N ATOM 468 CA ALA A 30 -1.360 -1.521 -7.864 1.00 0.00 C ATOM 469 C ALA A 30 -2.645 -1.075 -7.203 1.00 0.00 C ATOM 470 O ALA A 30 -3.643 -1.771 -7.288 1.00 0.00 O ATOM 471 CB ALA A 30 -0.497 -2.099 -6.858 1.00 0.00 C ATOM 0 H ALA A 30 0.238 -0.244 -8.061 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.639 -2.240 -8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.022 -2.908 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.402 -2.492 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.220 -1.334 -6.133 1.00 0.00 H new ATOM 477 N MET A 31 -2.618 0.069 -6.522 1.00 0.00 N ATOM 478 CA MET A 31 -3.809 0.575 -5.820 1.00 0.00 C ATOM 479 C MET A 31 -4.985 0.747 -6.774 1.00 0.00 C ATOM 480 O MET A 31 -6.139 0.514 -6.398 1.00 0.00 O ATOM 481 CB MET A 31 -3.534 1.871 -5.027 1.00 0.00 C ATOM 482 CG MET A 31 -3.104 3.057 -5.867 1.00 0.00 C ATOM 483 SD MET A 31 -2.786 4.557 -4.905 1.00 0.00 S ATOM 484 CE MET A 31 -1.499 4.015 -3.771 1.00 0.00 C ATOM 0 H MET A 31 -1.794 0.664 -6.438 1.00 0.00 H new ATOM 0 HA MET A 31 -4.078 -0.184 -5.085 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.436 2.142 -4.478 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.759 1.669 -4.287 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.202 2.792 -6.418 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.878 3.267 -6.605 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.739 4.792 -3.685 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.935 3.823 -2.791 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.042 3.101 -4.150 1.00 0.00 H new ATOM 494 N ILE A 32 -4.678 1.086 -8.027 1.00 0.00 N ATOM 495 CA ILE A 32 -5.690 1.238 -9.063 1.00 0.00 C ATOM 496 C ILE A 32 -6.392 -0.104 -9.280 1.00 0.00 C ATOM 497 O ILE A 32 -7.614 -0.180 -9.375 1.00 0.00 O ATOM 498 CB ILE A 32 -5.053 1.706 -10.410 1.00 0.00 C ATOM 499 CG1 ILE A 32 -4.318 3.047 -10.245 1.00 0.00 C ATOM 500 CG2 ILE A 32 -6.096 1.801 -11.525 1.00 0.00 C ATOM 501 CD1 ILE A 32 -5.185 4.184 -9.750 1.00 0.00 C ATOM 0 H ILE A 32 -3.725 1.261 -8.347 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.404 1.994 -8.738 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.323 0.949 -10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.490 2.909 -9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.885 3.329 -11.204 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.615 2.130 -12.446 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.551 0.823 -11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.867 2.518 -11.242 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.584 5.089 -9.664 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.999 4.355 -10.455 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.598 3.928 -8.774 1.00 0.00 H new ATOM 513 N GLU A 33 -5.605 -1.154 -9.256 1.00 0.00 N ATOM 514 CA GLU A 33 -6.076 -2.501 -9.490 1.00 0.00 C ATOM 515 C GLU A 33 -6.782 -3.029 -8.233 1.00 0.00 C ATOM 516 O GLU A 33 -7.795 -3.711 -8.311 1.00 0.00 O ATOM 517 CB GLU A 33 -4.886 -3.399 -9.815 1.00 0.00 C ATOM 518 CG GLU A 33 -3.932 -2.853 -10.863 1.00 0.00 C ATOM 519 CD GLU A 33 -4.545 -2.711 -12.226 1.00 0.00 C ATOM 520 OE1 GLU A 33 -5.171 -1.677 -12.511 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.355 -3.610 -13.061 1.00 0.00 O ATOM 0 H GLU A 33 -4.604 -1.097 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.778 -2.500 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.327 -3.581 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.262 -4.364 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.567 -1.879 -10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.066 -3.512 -10.931 1.00 0.00 H new ATOM 528 N LYS A 34 -6.253 -2.658 -7.071 1.00 0.00 N ATOM 529 CA LYS A 34 -6.765 -3.097 -5.761 1.00 0.00 C ATOM 530 C LYS A 34 -8.161 -2.583 -5.482 1.00 0.00 C ATOM 531 O LYS A 34 -8.858 -3.093 -4.612 1.00 0.00 O ATOM 532 CB LYS A 34 -5.769 -2.736 -4.660 1.00 0.00 C ATOM 533 CG LYS A 34 -4.560 -3.654 -4.683 1.00 0.00 C ATOM 534 CD LYS A 34 -3.324 -3.050 -4.074 1.00 0.00 C ATOM 535 CE LYS A 34 -2.159 -4.007 -4.257 1.00 0.00 C ATOM 536 NZ LYS A 34 -0.936 -3.557 -3.604 1.00 0.00 N ATOM 0 H LYS A 34 -5.447 -2.037 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.861 -4.183 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.445 -1.703 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.259 -2.802 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.804 -4.573 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.346 -3.931 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.102 -2.093 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.485 -2.853 -3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.435 -4.985 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.968 -4.136 -5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.139 -3.634 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.045 -2.566 -3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.750 -4.149 -2.770 1.00 0.00 H new ATOM 550 N LYS A 35 -8.563 -1.604 -6.265 1.00 0.00 N ATOM 551 CA LYS A 35 -9.889 -1.025 -6.210 1.00 0.00 C ATOM 552 C LYS A 35 -10.929 -2.062 -6.692 1.00 0.00 C ATOM 553 O LYS A 35 -12.113 -1.999 -6.335 1.00 0.00 O ATOM 554 CB LYS A 35 -9.911 0.216 -7.119 1.00 0.00 C ATOM 555 CG LYS A 35 -11.275 0.844 -7.339 1.00 0.00 C ATOM 556 CD LYS A 35 -11.193 1.978 -8.342 1.00 0.00 C ATOM 557 CE LYS A 35 -12.570 2.480 -8.746 1.00 0.00 C ATOM 558 NZ LYS A 35 -13.339 3.027 -7.611 1.00 0.00 N ATOM 0 H LYS A 35 -7.964 -1.179 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.137 -0.738 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.249 0.969 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.497 -0.059 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.975 0.088 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.665 1.218 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.618 2.800 -7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.656 1.640 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.461 3.251 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.131 1.662 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.287 3.306 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.427 2.303 -6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.846 3.858 -7.226 1.00 0.00 H new ATOM 572 N ALA A 36 -10.472 -3.021 -7.497 1.00 0.00 N ATOM 573 CA ALA A 36 -11.341 -4.045 -8.049 1.00 0.00 C ATOM 574 C ALA A 36 -11.770 -5.045 -6.979 1.00 0.00 C ATOM 575 O ALA A 36 -12.932 -5.463 -6.949 1.00 0.00 O ATOM 576 CB ALA A 36 -10.672 -4.761 -9.212 1.00 0.00 C ATOM 0 H ALA A 36 -9.496 -3.105 -7.780 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.236 -3.548 -8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.345 -5.522 -9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.439 -4.041 -9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.752 -5.233 -8.868 1.00 0.00 H new ATOM 582 N ARG A 37 -10.834 -5.404 -6.096 1.00 0.00 N ATOM 583 CA ARG A 37 -11.073 -6.340 -4.986 1.00 0.00 C ATOM 584 C ARG A 37 -9.792 -6.545 -4.219 1.00 0.00 C ATOM 585 O ARG A 37 -9.660 -6.121 -3.092 1.00 0.00 O ATOM 586 CB ARG A 37 -11.571 -7.712 -5.466 1.00 0.00 C ATOM 587 CG ARG A 37 -11.866 -8.688 -4.326 1.00 0.00 C ATOM 588 CD ARG A 37 -12.400 -10.014 -4.832 1.00 0.00 C ATOM 589 NE ARG A 37 -13.719 -9.882 -5.454 1.00 0.00 N ATOM 590 CZ ARG A 37 -14.431 -10.890 -5.971 1.00 0.00 C ATOM 591 NH1 ARG A 37 -13.924 -12.116 -6.018 1.00 0.00 N ATOM 592 NH2 ARG A 37 -15.649 -10.661 -6.445 1.00 0.00 N ATOM 0 H ARG A 37 -9.878 -5.051 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.847 -5.898 -4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.475 -7.574 -6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.822 -8.151 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.955 -8.860 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.592 -8.241 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.700 -10.433 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.461 -10.719 -4.003 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.127 -8.948 -5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.986 -12.294 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.472 -12.880 -6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.039 -9.719 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.195 -11.427 -6.840 1.00 0.00 H new ATOM 606 N ARG A 38 -8.848 -7.202 -4.858 1.00 0.00 N ATOM 607 CA ARG A 38 -7.574 -7.514 -4.266 1.00 0.00 C ATOM 608 C ARG A 38 -6.615 -7.891 -5.376 1.00 0.00 C ATOM 609 O ARG A 38 -6.921 -8.776 -6.176 1.00 0.00 O ATOM 610 CB ARG A 38 -7.704 -8.678 -3.274 1.00 0.00 C ATOM 611 CG ARG A 38 -6.394 -9.109 -2.629 1.00 0.00 C ATOM 612 CD ARG A 38 -6.606 -10.271 -1.672 1.00 0.00 C ATOM 613 NE ARG A 38 -7.186 -11.436 -2.343 1.00 0.00 N ATOM 614 CZ ARG A 38 -7.761 -12.476 -1.732 1.00 0.00 C ATOM 615 NH1 ARG A 38 -7.811 -12.533 -0.397 1.00 0.00 N ATOM 616 NH2 ARG A 38 -8.267 -13.464 -2.454 1.00 0.00 N ATOM 0 H ARG A 38 -8.950 -7.537 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.204 -6.646 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.404 -8.393 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.138 -9.533 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.683 -9.398 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.957 -8.268 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.653 -10.549 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.262 -9.957 -0.860 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.148 -11.455 -3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.409 -11.780 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.251 -13.330 0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.217 -13.429 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.707 -14.260 -1.992 1.00 0.00 H new ATOM 630 N VAL A 39 -5.497 -7.207 -5.457 1.00 0.00 N ATOM 631 CA VAL A 39 -4.507 -7.446 -6.510 1.00 0.00 C ATOM 632 C VAL A 39 -3.090 -7.401 -5.900 1.00 0.00 C ATOM 633 O VAL A 39 -2.901 -6.833 -4.811 1.00 0.00 O ATOM 634 CB VAL A 39 -4.668 -6.376 -7.664 1.00 0.00 C ATOM 635 CG1 VAL A 39 -3.589 -6.492 -8.738 1.00 0.00 C ATOM 636 CG2 VAL A 39 -6.037 -6.507 -8.322 1.00 0.00 C ATOM 0 H VAL A 39 -5.238 -6.469 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.667 -8.432 -6.946 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.564 -5.399 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.753 -5.732 -9.502 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.608 -6.346 -8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.635 -7.481 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.133 -5.764 -9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.143 -7.505 -8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.816 -6.345 -7.577 1.00 0.00 H new ATOM 646 N VAL A 40 -2.135 -8.029 -6.565 1.00 0.00 N ATOM 647 CA VAL A 40 -0.743 -8.047 -6.144 1.00 0.00 C ATOM 648 C VAL A 40 0.098 -7.164 -7.075 1.00 0.00 C ATOM 649 O VAL A 40 -0.243 -6.988 -8.244 1.00 0.00 O ATOM 650 CB VAL A 40 -0.177 -9.517 -6.105 1.00 0.00 C ATOM 651 CG1 VAL A 40 -0.339 -10.206 -7.446 1.00 0.00 C ATOM 652 CG2 VAL A 40 1.291 -9.561 -5.669 1.00 0.00 C ATOM 0 H VAL A 40 -2.307 -8.549 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.685 -7.646 -5.132 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.764 -10.054 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.061 -11.218 -7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.396 -10.249 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.201 -9.647 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.636 -10.595 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.896 -8.984 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.387 -9.135 -4.670 1.00 0.00 H new ATOM 662 N HIS A 41 1.147 -6.570 -6.546 1.00 0.00 N ATOM 663 CA HIS A 41 2.035 -5.764 -7.330 1.00 0.00 C ATOM 664 C HIS A 41 3.418 -6.148 -6.928 1.00 0.00 C ATOM 665 O HIS A 41 3.734 -6.209 -5.727 1.00 0.00 O ATOM 666 CB HIS A 41 1.790 -4.287 -7.072 1.00 0.00 C ATOM 667 CG HIS A 41 2.433 -3.321 -8.064 1.00 0.00 C ATOM 668 ND1 HIS A 41 1.931 -3.058 -9.336 1.00 0.00 N ATOM 669 CD2 HIS A 41 3.559 -2.572 -7.958 1.00 0.00 C ATOM 670 CE1 HIS A 41 2.769 -2.212 -9.934 1.00 0.00 C ATOM 671 NE2 HIS A 41 3.771 -1.889 -9.144 1.00 0.00 N ATOM 0 H HIS A 41 1.401 -6.637 -5.560 1.00 0.00 H new ATOM 0 HA HIS A 41 1.876 -5.928 -8.396 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.714 -4.112 -7.070 1.00 0.00 H new ATOM 0 HB3 HIS A 41 2.154 -4.047 -6.073 1.00 0.00 H new ATOM 0 HD1 HIS A 41 1.076 -3.443 -9.737 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.192 -2.517 -7.085 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.642 -1.839 -10.939 1.00 0.00 H new ATOM 679 N ILE A 42 4.208 -6.460 -7.890 1.00 0.00 N ATOM 680 CA ILE A 42 5.544 -6.891 -7.654 1.00 0.00 C ATOM 681 C ILE A 42 6.460 -5.686 -7.816 1.00 0.00 C ATOM 682 O ILE A 42 6.275 -4.888 -8.750 1.00 0.00 O ATOM 683 CB ILE A 42 5.963 -8.068 -8.612 1.00 0.00 C ATOM 684 CG1 ILE A 42 5.107 -9.348 -8.402 1.00 0.00 C ATOM 685 CG2 ILE A 42 7.436 -8.418 -8.465 1.00 0.00 C ATOM 686 CD1 ILE A 42 3.676 -9.285 -8.915 1.00 0.00 C ATOM 0 H ILE A 42 3.946 -6.424 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 42 5.625 -7.289 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 42 5.781 -7.700 -9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.611 -10.182 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.080 -9.572 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.685 -9.234 -9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.043 -7.546 -8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.636 -8.725 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.175 -10.232 -8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.144 -8.479 -8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.682 -9.098 -9.989 1.00 0.00 H new ATOM 698 N LYS A 43 7.413 -5.553 -6.894 1.00 0.00 N ATOM 699 CA LYS A 43 8.358 -4.431 -6.828 1.00 0.00 C ATOM 700 C LYS A 43 7.655 -3.134 -6.400 1.00 0.00 C ATOM 701 O LYS A 43 7.759 -2.121 -7.081 1.00 0.00 O ATOM 702 CB LYS A 43 9.134 -4.200 -8.149 1.00 0.00 C ATOM 703 CG LYS A 43 10.039 -5.327 -8.557 1.00 0.00 C ATOM 704 CD LYS A 43 10.798 -4.998 -9.818 1.00 0.00 C ATOM 705 CE LYS A 43 11.729 -6.129 -10.190 1.00 0.00 C ATOM 706 NZ LYS A 43 12.528 -5.818 -11.381 1.00 0.00 N ATOM 0 H LYS A 43 7.555 -6.238 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 43 9.091 -4.711 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.415 -4.023 -8.949 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.730 -3.293 -8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.743 -5.539 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.449 -6.231 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.098 -4.814 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.370 -4.081 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.394 -6.340 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.147 -7.033 -10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.152 -6.621 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.895 -5.642 -12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.104 -4.971 -11.201 1.00 0.00 H new ATOM 720 N PRO A 44 6.931 -3.120 -5.267 1.00 0.00 N ATOM 721 CA PRO A 44 6.258 -1.926 -4.828 1.00 0.00 C ATOM 722 C PRO A 44 7.286 -0.890 -4.349 1.00 0.00 C ATOM 723 O PRO A 44 8.350 -1.239 -3.804 1.00 0.00 O ATOM 724 CB PRO A 44 5.343 -2.419 -3.705 1.00 0.00 C ATOM 725 CG PRO A 44 6.034 -3.608 -3.162 1.00 0.00 C ATOM 726 CD PRO A 44 6.747 -4.226 -4.312 1.00 0.00 C ATOM 0 HA PRO A 44 5.689 -1.422 -5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.206 -1.655 -2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.352 -2.673 -4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.733 -3.328 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.322 -4.307 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.703 -4.649 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.166 -5.037 -4.751 1.00 0.00 H new ATOM 734 N GLY A 45 7.004 0.351 -4.596 1.00 0.00 N ATOM 735 CA GLY A 45 7.918 1.400 -4.241 1.00 0.00 C ATOM 736 C GLY A 45 7.179 2.508 -3.609 1.00 0.00 C ATOM 737 O GLY A 45 7.271 3.654 -4.023 1.00 0.00 O ATOM 0 H GLY A 45 6.144 0.667 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.677 1.019 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.440 1.757 -5.129 1.00 0.00 H new ATOM 741 N GLU A 46 6.364 2.149 -2.700 1.00 0.00 N ATOM 742 CA GLU A 46 5.569 3.051 -1.991 1.00 0.00 C ATOM 743 C GLU A 46 6.087 3.244 -0.570 1.00 0.00 C ATOM 744 O GLU A 46 6.701 2.359 0.025 1.00 0.00 O ATOM 745 CB GLU A 46 4.133 2.517 -1.970 1.00 0.00 C ATOM 746 CG GLU A 46 3.762 1.499 -0.843 1.00 0.00 C ATOM 747 CD GLU A 46 4.467 0.140 -0.927 1.00 0.00 C ATOM 748 OE1 GLU A 46 5.384 -0.029 -1.752 1.00 0.00 O ATOM 749 OE2 GLU A 46 4.134 -0.767 -0.148 1.00 0.00 O ATOM 0 H GLU A 46 6.230 1.177 -2.421 1.00 0.00 H new ATOM 0 HA GLU A 46 5.600 4.024 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.458 3.369 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.936 2.042 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.994 1.950 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.685 1.333 -0.867 1.00 0.00 H new ATOM 756 N LYS A 47 5.878 4.414 -0.089 1.00 0.00 N ATOM 757 CA LYS A 47 6.184 4.821 1.230 1.00 0.00 C ATOM 758 C LYS A 47 4.996 5.543 1.655 1.00 0.00 C ATOM 759 O LYS A 47 4.858 6.751 1.515 1.00 0.00 O ATOM 760 CB LYS A 47 7.359 5.703 1.290 1.00 0.00 C ATOM 761 CG LYS A 47 8.609 5.044 0.845 1.00 0.00 C ATOM 762 CD LYS A 47 9.716 6.003 0.854 1.00 0.00 C ATOM 763 CE LYS A 47 9.449 7.175 -0.080 1.00 0.00 C ATOM 764 NZ LYS A 47 10.622 8.053 -0.191 1.00 0.00 N ATOM 0 H LYS A 47 5.461 5.161 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 47 6.431 3.968 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.178 6.581 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.487 6.057 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.840 4.205 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.478 4.638 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.870 6.373 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.636 5.501 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.179 6.801 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.598 7.748 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.346 8.945 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.998 8.252 0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.354 7.584 -0.762 1.00 0.00 H new ATOM 778 N ILE A 48 4.107 4.791 2.024 1.00 0.00 N ATOM 779 CA ILE A 48 2.834 5.277 2.397 1.00 0.00 C ATOM 780 C ILE A 48 2.689 5.477 3.880 1.00 0.00 C ATOM 781 O ILE A 48 2.649 4.530 4.646 1.00 0.00 O ATOM 782 CB ILE A 48 1.662 4.442 1.786 1.00 0.00 C ATOM 783 CG1 ILE A 48 1.733 2.956 2.196 1.00 0.00 C ATOM 784 CG2 ILE A 48 1.678 4.574 0.267 1.00 0.00 C ATOM 785 CD1 ILE A 48 0.575 2.118 1.677 1.00 0.00 C ATOM 0 H ILE A 48 4.208 3.778 2.091 1.00 0.00 H new ATOM 0 HA ILE A 48 2.761 6.271 1.955 1.00 0.00 H new ATOM 0 HB ILE A 48 0.727 4.839 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.668 2.532 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.758 2.890 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.860 3.991 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.558 5.622 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.627 4.203 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.696 1.086 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.363 2.515 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.561 2.152 0.588 1.00 0.00 H new ATOM 797 N LEU A 49 2.743 6.752 4.269 1.00 0.00 N ATOM 798 CA LEU A 49 2.536 7.273 5.653 1.00 0.00 C ATOM 799 C LEU A 49 3.515 6.699 6.680 1.00 0.00 C ATOM 800 O LEU A 49 3.393 6.962 7.868 1.00 0.00 O ATOM 801 CB LEU A 49 1.087 6.995 6.161 1.00 0.00 C ATOM 802 CG LEU A 49 -0.112 7.171 5.185 1.00 0.00 C ATOM 803 CD1 LEU A 49 0.058 8.306 4.205 1.00 0.00 C ATOM 804 CD2 LEU A 49 -0.497 5.863 4.515 1.00 0.00 C ATOM 0 H LEU A 49 2.942 7.501 3.605 1.00 0.00 H new ATOM 0 HA LEU A 49 2.715 8.345 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.061 5.970 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.910 7.646 7.017 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.957 7.469 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.819 8.364 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.170 9.243 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.945 8.132 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.338 6.032 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.351 5.482 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.781 5.135 5.275 1.00 0.00 H new ATOM 816 N GLY A 50 4.470 5.937 6.219 1.00 0.00 N ATOM 817 CA GLY A 50 5.408 5.270 7.115 1.00 0.00 C ATOM 818 C GLY A 50 4.778 4.004 7.727 1.00 0.00 C ATOM 819 O GLY A 50 5.434 3.244 8.448 1.00 0.00 O ATOM 0 H GLY A 50 4.629 5.755 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.312 5.003 6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.706 5.953 7.910 1.00 0.00 H new ATOM 823 N ALA A 51 3.514 3.790 7.402 1.00 0.00 N ATOM 824 CA ALA A 51 2.708 2.689 7.869 1.00 0.00 C ATOM 825 C ALA A 51 1.528 2.578 6.927 1.00 0.00 C ATOM 826 O ALA A 51 0.883 3.587 6.630 1.00 0.00 O ATOM 827 CB ALA A 51 2.213 2.950 9.289 1.00 0.00 C ATOM 0 H ALA A 51 3.004 4.412 6.775 1.00 0.00 H new ATOM 0 HA ALA A 51 3.291 1.768 7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.607 2.108 9.623 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.067 3.070 9.956 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.611 3.859 9.303 1.00 0.00 H new ATOM 833 N ARG A 52 1.240 1.390 6.459 1.00 0.00 N ATOM 834 CA ARG A 52 0.163 1.191 5.503 1.00 0.00 C ATOM 835 C ARG A 52 -1.182 1.242 6.214 1.00 0.00 C ATOM 836 O ARG A 52 -1.697 0.216 6.664 1.00 0.00 O ATOM 837 CB ARG A 52 0.282 -0.158 4.809 1.00 0.00 C ATOM 838 CG ARG A 52 1.658 -0.518 4.289 1.00 0.00 C ATOM 839 CD ARG A 52 1.623 -1.884 3.618 1.00 0.00 C ATOM 840 NE ARG A 52 0.896 -2.880 4.437 1.00 0.00 N ATOM 841 CZ ARG A 52 1.328 -4.121 4.744 1.00 0.00 C ATOM 842 NH1 ARG A 52 2.587 -4.462 4.514 1.00 0.00 N ATOM 843 NH2 ARG A 52 0.510 -4.990 5.340 1.00 0.00 N ATOM 0 H ARG A 52 1.735 0.538 6.722 1.00 0.00 H new ATOM 0 HA ARG A 52 0.235 1.986 4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.035 -0.933 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.417 -0.177 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.995 0.236 3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.375 -0.526 5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.145 -1.797 2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.642 -2.230 3.445 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.015 -2.603 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.232 -3.786 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.912 -5.400 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.447 -4.718 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.841 -5.927 5.570 1.00 0.00 H new ATOM 857 N ILE A 53 -1.707 2.411 6.368 1.00 0.00 N ATOM 858 CA ILE A 53 -2.966 2.601 7.022 1.00 0.00 C ATOM 859 C ILE A 53 -3.953 2.974 5.964 1.00 0.00 C ATOM 860 O ILE A 53 -3.700 3.894 5.206 1.00 0.00 O ATOM 861 CB ILE A 53 -2.878 3.748 8.067 1.00 0.00 C ATOM 862 CG1 ILE A 53 -1.729 3.481 9.055 1.00 0.00 C ATOM 863 CG2 ILE A 53 -4.207 3.895 8.819 1.00 0.00 C ATOM 864 CD1 ILE A 53 -1.516 4.571 10.085 1.00 0.00 C ATOM 0 H ILE A 53 -1.272 3.274 6.041 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.259 1.691 7.546 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.676 4.681 7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.924 2.542 9.574 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.806 3.347 8.491 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.126 4.703 9.546 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.003 4.123 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.438 2.963 9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.687 4.298 10.738 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.286 5.509 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.422 4.692 10.680 1.00 0.00 H new ATOM 876 N ILE A 54 -5.052 2.267 5.906 1.00 0.00 N ATOM 877 CA ILE A 54 -6.065 2.509 4.909 1.00 0.00 C ATOM 878 C ILE A 54 -6.780 3.806 5.249 1.00 0.00 C ATOM 879 O ILE A 54 -7.091 4.600 4.391 1.00 0.00 O ATOM 880 CB ILE A 54 -7.085 1.320 4.868 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.364 -0.021 4.597 1.00 0.00 C ATOM 882 CG2 ILE A 54 -8.194 1.546 3.845 1.00 0.00 C ATOM 883 CD1 ILE A 54 -5.600 -0.077 3.281 1.00 0.00 C ATOM 0 H ILE A 54 -5.271 1.506 6.549 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.602 2.590 3.926 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.553 1.272 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.669 -0.216 5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.102 -0.823 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.876 0.696 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.743 2.453 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.757 1.651 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.127 -1.053 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.290 0.083 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.835 0.700 3.271 1.00 0.00 H new ATOM 895 N GLY A 55 -7.009 4.011 6.515 1.00 0.00 N ATOM 896 CA GLY A 55 -7.699 5.200 6.959 1.00 0.00 C ATOM 897 C GLY A 55 -9.125 4.868 7.264 1.00 0.00 C ATOM 898 O GLY A 55 -9.757 5.476 8.129 1.00 0.00 O ATOM 0 H GLY A 55 -6.730 3.374 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.212 5.606 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.651 5.970 6.189 1.00 0.00 H new ATOM 902 N ILE A 56 -9.621 3.910 6.547 1.00 0.00 N ATOM 903 CA ILE A 56 -10.941 3.392 6.719 1.00 0.00 C ATOM 904 C ILE A 56 -10.759 2.094 7.448 1.00 0.00 C ATOM 905 O ILE A 56 -10.037 1.243 6.938 1.00 0.00 O ATOM 906 CB ILE A 56 -11.599 3.079 5.353 1.00 0.00 C ATOM 907 CG1 ILE A 56 -11.613 4.326 4.468 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.019 2.528 5.546 1.00 0.00 C ATOM 909 CD1 ILE A 56 -12.214 4.108 3.100 1.00 0.00 C ATOM 0 H ILE A 56 -9.100 3.451 5.800 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.572 4.109 7.244 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.007 2.312 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.171 5.112 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.591 4.686 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.462 2.315 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.977 1.611 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.628 3.266 6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.185 5.041 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.643 3.346 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.248 3.779 3.205 1.00 0.00 H new ATOM 921 N PRO A 57 -11.357 1.935 8.648 1.00 0.00 N ATOM 922 CA PRO A 57 -11.208 0.721 9.471 1.00 0.00 C ATOM 923 C PRO A 57 -11.490 -0.567 8.685 1.00 0.00 C ATOM 924 O PRO A 57 -12.645 -0.843 8.296 1.00 0.00 O ATOM 925 CB PRO A 57 -12.247 0.911 10.577 1.00 0.00 C ATOM 926 CG PRO A 57 -12.395 2.382 10.695 1.00 0.00 C ATOM 927 CD PRO A 57 -12.238 2.922 9.301 1.00 0.00 C ATOM 0 HA PRO A 57 -10.188 0.606 9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.193 0.436 10.319 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.914 0.469 11.516 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.368 2.645 11.109 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.641 2.799 11.363 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.198 3.003 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.794 3.917 9.304 1.00 0.00 H new ATOM 935 N PRO A 58 -10.443 -1.336 8.372 1.00 0.00 N ATOM 936 CA PRO A 58 -10.578 -2.563 7.662 1.00 0.00 C ATOM 937 C PRO A 58 -10.596 -3.753 8.599 1.00 0.00 C ATOM 938 O PRO A 58 -9.825 -3.818 9.565 1.00 0.00 O ATOM 939 CB PRO A 58 -9.320 -2.592 6.809 1.00 0.00 C ATOM 940 CG PRO A 58 -8.283 -1.878 7.624 1.00 0.00 C ATOM 941 CD PRO A 58 -9.022 -1.038 8.654 1.00 0.00 C ATOM 0 HA PRO A 58 -11.507 -2.621 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.015 -3.615 6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.480 -2.096 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.620 -2.591 8.113 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.661 -1.248 6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.747 -1.314 9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.803 0.024 8.541 1.00 0.00 H new ATOM 949 N VAL A 59 -11.475 -4.665 8.337 1.00 0.00 N ATOM 950 CA VAL A 59 -11.563 -5.881 9.122 1.00 0.00 C ATOM 951 C VAL A 59 -10.287 -6.682 8.840 1.00 0.00 C ATOM 952 O VAL A 59 -10.053 -7.083 7.694 1.00 0.00 O ATOM 953 CB VAL A 59 -12.821 -6.704 8.743 1.00 0.00 C ATOM 954 CG1 VAL A 59 -12.957 -7.933 9.625 1.00 0.00 C ATOM 955 CG2 VAL A 59 -14.070 -5.837 8.848 1.00 0.00 C ATOM 0 H VAL A 59 -12.155 -4.601 7.579 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.652 -5.646 10.183 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.708 -7.039 7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.848 -8.491 9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.078 -8.566 9.505 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.043 -7.625 10.667 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.946 -6.427 8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -14.176 -5.474 9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -13.982 -4.988 8.170 1.00 0.00 H new ATOM 965 N PRO A 60 -9.421 -6.861 9.847 1.00 0.00 N ATOM 966 CA PRO A 60 -8.116 -7.445 9.650 1.00 0.00 C ATOM 967 C PRO A 60 -8.100 -8.971 9.658 1.00 0.00 C ATOM 968 O PRO A 60 -7.945 -9.615 10.706 1.00 0.00 O ATOM 969 CB PRO A 60 -7.299 -6.867 10.799 1.00 0.00 C ATOM 970 CG PRO A 60 -8.288 -6.690 11.909 1.00 0.00 C ATOM 971 CD PRO A 60 -9.648 -6.511 11.269 1.00 0.00 C ATOM 0 HA PRO A 60 -7.722 -7.207 8.662 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.492 -7.539 11.090 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.839 -5.918 10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.284 -7.557 12.570 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.032 -5.823 12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.394 -7.161 11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.009 -5.488 11.376 1.00 0.00 H new ATOM 979 N ILE A 61 -8.313 -9.530 8.508 1.00 0.00 N ATOM 980 CA ILE A 61 -8.280 -10.948 8.304 1.00 0.00 C ATOM 981 C ILE A 61 -7.238 -11.170 7.224 1.00 0.00 C ATOM 982 O ILE A 61 -7.055 -10.292 6.378 1.00 0.00 O ATOM 983 CB ILE A 61 -9.668 -11.459 7.798 1.00 0.00 C ATOM 984 CG1 ILE A 61 -10.781 -11.088 8.791 1.00 0.00 C ATOM 985 CG2 ILE A 61 -9.650 -12.965 7.555 1.00 0.00 C ATOM 986 CD1 ILE A 61 -12.182 -11.428 8.312 1.00 0.00 C ATOM 0 H ILE A 61 -8.520 -9.000 7.661 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.049 -11.481 9.226 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.874 -10.968 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.597 -11.602 9.734 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -10.729 -10.019 8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.630 -13.289 7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.898 -13.203 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.409 -13.481 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -12.907 -11.134 9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -12.389 -10.893 7.385 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -12.256 -12.501 8.136 1.00 0.00 H new ATOM 998 N GLY A 62 -6.513 -12.249 7.255 1.00 0.00 N ATOM 999 CA GLY A 62 -5.577 -12.453 6.198 1.00 0.00 C ATOM 1000 C GLY A 62 -4.281 -13.072 6.625 1.00 0.00 C ATOM 1001 O GLY A 62 -4.121 -13.474 7.779 1.00 0.00 O ATOM 0 H GLY A 62 -6.549 -12.974 7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.036 -13.089 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.368 -11.494 5.725 1.00 0.00 H new ATOM 1005 N ILE A 63 -3.363 -13.172 5.686 1.00 0.00 N ATOM 1006 CA ILE A 63 -2.045 -13.712 5.923 1.00 0.00 C ATOM 1007 C ILE A 63 -1.003 -12.703 5.427 1.00 0.00 C ATOM 1008 O ILE A 63 -0.795 -12.557 4.220 1.00 0.00 O ATOM 1009 CB ILE A 63 -1.848 -15.069 5.169 1.00 0.00 C ATOM 1010 CG1 ILE A 63 -2.919 -16.088 5.596 1.00 0.00 C ATOM 1011 CG2 ILE A 63 -0.451 -15.632 5.425 1.00 0.00 C ATOM 1012 CD1 ILE A 63 -2.879 -17.400 4.833 1.00 0.00 C ATOM 0 H ILE A 63 -3.516 -12.875 4.722 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.927 -13.894 6.991 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.955 -14.880 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.800 -16.297 6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.903 -15.637 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.336 -16.575 4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.297 -14.922 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.317 -15.801 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.668 -18.058 5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.030 -17.208 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.910 -17.878 4.981 1.00 0.00 H new ATOM 1024 N ASP A 64 -0.405 -11.975 6.344 1.00 0.00 N ATOM 1025 CA ASP A 64 0.638 -11.010 6.000 1.00 0.00 C ATOM 1026 C ASP A 64 1.961 -11.694 6.230 1.00 0.00 C ATOM 1027 O ASP A 64 2.346 -11.940 7.377 1.00 0.00 O ATOM 1028 CB ASP A 64 0.530 -9.740 6.879 1.00 0.00 C ATOM 1029 CG ASP A 64 1.520 -8.622 6.521 1.00 0.00 C ATOM 1030 OD1 ASP A 64 2.751 -8.828 6.579 1.00 0.00 O ATOM 1031 OD2 ASP A 64 1.065 -7.490 6.227 1.00 0.00 O ATOM 0 H ASP A 64 -0.618 -12.027 7.340 1.00 0.00 H new ATOM 0 HA ASP A 64 0.535 -10.691 4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.484 -9.347 6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.684 -10.022 7.921 1.00 0.00 H new ATOM 1036 N GLU A 65 2.615 -12.074 5.167 1.00 0.00 N ATOM 1037 CA GLU A 65 3.859 -12.778 5.272 1.00 0.00 C ATOM 1038 C GLU A 65 5.000 -11.842 5.548 1.00 0.00 C ATOM 1039 O GLU A 65 5.541 -11.812 6.659 1.00 0.00 O ATOM 1040 CB GLU A 65 4.109 -13.596 4.016 1.00 0.00 C ATOM 1041 CG GLU A 65 3.163 -14.766 3.863 1.00 0.00 C ATOM 1042 CD GLU A 65 3.370 -15.804 4.938 1.00 0.00 C ATOM 1043 OE1 GLU A 65 2.830 -15.662 6.043 1.00 0.00 O ATOM 1044 OE2 GLU A 65 4.092 -16.797 4.683 1.00 0.00 O ATOM 0 H GLU A 65 2.302 -11.905 4.211 1.00 0.00 H new ATOM 0 HA GLU A 65 3.792 -13.460 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.017 -12.948 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.134 -13.967 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.134 -14.408 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.308 -15.224 2.884 1.00 0.00 H new ATOM 1051 N GLU A 66 5.332 -11.061 4.573 1.00 0.00 N ATOM 1052 CA GLU A 66 6.426 -10.146 4.651 1.00 0.00 C ATOM 1053 C GLU A 66 6.302 -9.219 3.463 1.00 0.00 C ATOM 1054 O GLU A 66 5.525 -9.493 2.563 1.00 0.00 O ATOM 1055 CB GLU A 66 7.777 -10.937 4.659 1.00 0.00 C ATOM 1056 CG GLU A 66 9.051 -10.102 4.806 1.00 0.00 C ATOM 1057 CD GLU A 66 8.984 -9.124 5.952 1.00 0.00 C ATOM 1058 OE1 GLU A 66 8.522 -7.995 5.726 1.00 0.00 O ATOM 1059 OE2 GLU A 66 9.384 -9.448 7.069 1.00 0.00 O ATOM 0 H GLU A 66 4.840 -11.040 3.680 1.00 0.00 H new ATOM 0 HA GLU A 66 6.409 -9.560 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.746 -11.659 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.846 -11.506 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.901 -10.768 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.230 -9.556 3.880 1.00 0.00 H new ATOM 1066 N ARG A 67 7.053 -8.158 3.473 1.00 0.00 N ATOM 1067 CA ARG A 67 7.050 -7.133 2.448 1.00 0.00 C ATOM 1068 C ARG A 67 7.592 -7.752 1.168 1.00 0.00 C ATOM 1069 O ARG A 67 7.163 -7.436 0.059 1.00 0.00 O ATOM 1070 CB ARG A 67 8.003 -6.013 2.921 1.00 0.00 C ATOM 1071 CG ARG A 67 7.840 -4.614 2.300 1.00 0.00 C ATOM 1072 CD ARG A 67 8.033 -4.568 0.797 1.00 0.00 C ATOM 1073 NE ARG A 67 8.182 -3.186 0.300 1.00 0.00 N ATOM 1074 CZ ARG A 67 7.175 -2.362 -0.054 1.00 0.00 C ATOM 1075 NH1 ARG A 67 5.909 -2.705 0.158 1.00 0.00 N ATOM 1076 NH2 ARG A 67 7.440 -1.191 -0.596 1.00 0.00 N ATOM 0 H ARG A 67 7.716 -7.966 4.224 1.00 0.00 H new ATOM 0 HA ARG A 67 6.051 -6.735 2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.892 -5.914 4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.025 -6.344 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.845 -4.238 2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.556 -3.937 2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.916 -5.147 0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.181 -5.039 0.308 1.00 0.00 H new ATOM 0 HE ARG A 67 9.131 -2.822 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.689 -3.601 0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.157 -2.072 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.408 -0.907 -0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.678 -0.569 -0.863 1.00 0.00 H new ATOM 1090 N SER A 68 8.511 -8.645 1.342 1.00 0.00 N ATOM 1091 CA SER A 68 9.167 -9.287 0.253 1.00 0.00 C ATOM 1092 C SER A 68 8.577 -10.661 -0.017 1.00 0.00 C ATOM 1093 O SER A 68 9.252 -11.592 -0.471 1.00 0.00 O ATOM 1094 CB SER A 68 10.625 -9.352 0.575 1.00 0.00 C ATOM 1095 OG SER A 68 11.085 -8.054 0.932 1.00 0.00 O ATOM 0 H SER A 68 8.831 -8.953 2.260 1.00 0.00 H new ATOM 0 HA SER A 68 9.022 -8.718 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.798 -10.050 1.394 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.183 -9.725 -0.284 1.00 0.00 H new ATOM 0 HG SER A 68 11.808 -7.785 0.327 1.00 0.00 H new ATOM 1101 N THR A 69 7.327 -10.763 0.235 1.00 0.00 N ATOM 1102 CA THR A 69 6.586 -11.969 0.039 1.00 0.00 C ATOM 1103 C THR A 69 5.150 -11.555 -0.250 1.00 0.00 C ATOM 1104 O THR A 69 4.772 -10.429 0.042 1.00 0.00 O ATOM 1105 CB THR A 69 6.643 -12.846 1.324 1.00 0.00 C ATOM 1106 OG1 THR A 69 8.012 -12.993 1.738 1.00 0.00 O ATOM 1107 CG2 THR A 69 6.070 -14.242 1.083 1.00 0.00 C ATOM 0 H THR A 69 6.766 -9.991 0.595 1.00 0.00 H new ATOM 0 HA THR A 69 6.998 -12.556 -0.782 1.00 0.00 H new ATOM 0 HB THR A 69 6.048 -12.348 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.052 -13.543 2.548 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.128 -14.823 2.003 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.029 -14.159 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.644 -14.741 0.302 1.00 0.00 H new ATOM 1115 N VAL A 70 4.381 -12.419 -0.833 1.00 0.00 N ATOM 1116 CA VAL A 70 3.013 -12.108 -1.116 1.00 0.00 C ATOM 1117 C VAL A 70 2.170 -12.224 0.130 1.00 0.00 C ATOM 1118 O VAL A 70 2.123 -13.264 0.790 1.00 0.00 O ATOM 1119 CB VAL A 70 2.399 -12.959 -2.265 1.00 0.00 C ATOM 1120 CG1 VAL A 70 2.907 -12.495 -3.604 1.00 0.00 C ATOM 1121 CG2 VAL A 70 2.687 -14.445 -2.086 1.00 0.00 C ATOM 0 H VAL A 70 4.678 -13.350 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 70 3.010 -11.076 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 70 1.319 -12.818 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.464 -13.104 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.633 -11.451 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.992 -12.593 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.241 -15.004 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.765 -14.608 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.261 -14.787 -1.143 1.00 0.00 H new ATOM 1131 N MET A 71 1.580 -11.147 0.481 1.00 0.00 N ATOM 1132 CA MET A 71 0.700 -11.089 1.604 1.00 0.00 C ATOM 1133 C MET A 71 -0.715 -11.190 1.089 1.00 0.00 C ATOM 1134 O MET A 71 -1.180 -10.314 0.392 1.00 0.00 O ATOM 1135 CB MET A 71 0.934 -9.783 2.396 1.00 0.00 C ATOM 1136 CG MET A 71 0.778 -8.503 1.574 1.00 0.00 C ATOM 1137 SD MET A 71 1.269 -7.020 2.450 1.00 0.00 S ATOM 1138 CE MET A 71 2.991 -7.394 2.752 1.00 0.00 C ATOM 0 H MET A 71 1.691 -10.258 -0.007 1.00 0.00 H new ATOM 0 HA MET A 71 0.890 -11.913 2.291 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.235 -9.750 3.231 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.937 -9.806 2.821 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.373 -8.591 0.665 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.263 -8.404 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.549 -6.466 2.871 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.080 -7.990 3.660 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.395 -7.955 1.909 1.00 0.00 H new ATOM 1148 N ILE A 72 -1.382 -12.272 1.371 1.00 0.00 N ATOM 1149 CA ILE A 72 -2.730 -12.436 0.880 1.00 0.00 C ATOM 1150 C ILE A 72 -3.689 -12.263 2.037 1.00 0.00 C ATOM 1151 O ILE A 72 -3.917 -13.205 2.808 1.00 0.00 O ATOM 1152 CB ILE A 72 -3.020 -13.824 0.187 1.00 0.00 C ATOM 1153 CG1 ILE A 72 -2.049 -14.139 -0.971 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -4.451 -13.856 -0.342 1.00 0.00 C ATOM 1155 CD1 ILE A 72 -0.674 -14.603 -0.545 1.00 0.00 C ATOM 0 H ILE A 72 -1.026 -13.047 1.930 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.864 -11.679 0.107 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.874 -14.586 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.496 -14.908 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.940 -13.246 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.641 -14.818 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.148 -13.716 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.588 -13.057 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.066 -14.799 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.199 -13.829 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.764 -15.516 0.043 1.00 0.00 H new ATOM 1167 N PRO A 73 -4.187 -11.058 2.267 1.00 0.00 N ATOM 1168 CA PRO A 73 -5.119 -10.825 3.294 1.00 0.00 C ATOM 1169 C PRO A 73 -6.550 -10.730 2.773 1.00 0.00 C ATOM 1170 O PRO A 73 -6.812 -10.830 1.560 1.00 0.00 O ATOM 1171 CB PRO A 73 -4.652 -9.481 3.876 1.00 0.00 C ATOM 1172 CG PRO A 73 -3.828 -8.838 2.783 1.00 0.00 C ATOM 1173 CD PRO A 73 -3.834 -9.799 1.616 1.00 0.00 C ATOM 0 HA PRO A 73 -5.149 -11.635 4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.501 -8.854 4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.061 -9.628 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.250 -7.876 2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.810 -8.650 3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.561 -9.514 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.863 -9.851 1.124 1.00 0.00 H new ATOM 1181 N TYR A 74 -7.443 -10.557 3.678 1.00 0.00 N ATOM 1182 CA TYR A 74 -8.819 -10.383 3.398 1.00 0.00 C ATOM 1183 C TYR A 74 -9.280 -9.258 4.257 1.00 0.00 C ATOM 1184 O TYR A 74 -9.760 -9.454 5.370 1.00 0.00 O ATOM 1185 CB TYR A 74 -9.637 -11.642 3.684 1.00 0.00 C ATOM 1186 CG TYR A 74 -11.125 -11.481 3.397 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -11.578 -11.124 2.133 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -12.068 -11.669 4.402 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -12.924 -10.955 1.879 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -13.417 -11.509 4.153 1.00 0.00 C ATOM 1191 CZ TYR A 74 -13.840 -11.149 2.892 1.00 0.00 C ATOM 1192 OH TYR A 74 -15.188 -10.969 2.640 1.00 0.00 O ATOM 0 H TYR A 74 -7.225 -10.532 4.674 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.960 -10.173 2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.246 -12.463 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.505 -11.921 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.865 -10.976 1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.740 -11.945 5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.259 -10.672 0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.137 -11.665 4.943 1.00 0.00 H new ATOM 0 HH TYR A 74 -15.711 -11.554 3.226 1.00 0.00 H new ATOM 1202 N THR A 75 -9.036 -8.092 3.811 1.00 0.00 N ATOM 1203 CA THR A 75 -9.402 -6.976 4.571 1.00 0.00 C ATOM 1204 C THR A 75 -10.712 -6.464 4.076 1.00 0.00 C ATOM 1205 O THR A 75 -10.958 -6.463 2.869 1.00 0.00 O ATOM 1206 CB THR A 75 -8.324 -5.880 4.532 1.00 0.00 C ATOM 1207 OG1 THR A 75 -7.938 -5.627 3.170 1.00 0.00 O ATOM 1208 CG2 THR A 75 -7.104 -6.287 5.347 1.00 0.00 C ATOM 0 H THR A 75 -8.583 -7.887 2.920 1.00 0.00 H new ATOM 0 HA THR A 75 -9.499 -7.275 5.615 1.00 0.00 H new ATOM 0 HB THR A 75 -8.740 -4.972 4.968 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.252 -4.927 3.149 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.356 -5.495 5.303 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.398 -6.452 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.683 -7.206 4.938 1.00 0.00 H new ATOM 1216 N LYS A 76 -11.567 -6.077 4.970 1.00 0.00 N ATOM 1217 CA LYS A 76 -12.841 -5.554 4.566 1.00 0.00 C ATOM 1218 C LYS A 76 -12.930 -4.064 4.882 1.00 0.00 C ATOM 1219 O LYS A 76 -13.264 -3.689 6.007 1.00 0.00 O ATOM 1220 CB LYS A 76 -13.991 -6.326 5.230 1.00 0.00 C ATOM 1221 CG LYS A 76 -13.958 -7.832 4.968 1.00 0.00 C ATOM 1222 CD LYS A 76 -15.114 -8.564 5.645 1.00 0.00 C ATOM 1223 CE LYS A 76 -16.469 -8.239 5.015 1.00 0.00 C ATOM 1224 NZ LYS A 76 -16.557 -8.687 3.605 1.00 0.00 N ATOM 0 H LYS A 76 -11.411 -6.111 5.977 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.935 -5.682 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.958 -6.153 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.939 -5.925 4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.996 -8.012 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.013 -8.240 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.940 -9.639 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.137 -8.299 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.260 -8.715 5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.641 -7.164 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.546 -8.909 3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.215 -7.931 2.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.971 -9.536 3.473 1.00 0.00 H new ATOM 1238 N PRO A 77 -12.483 -3.201 3.948 1.00 0.00 N ATOM 1239 CA PRO A 77 -12.570 -1.770 4.070 1.00 0.00 C ATOM 1240 C PRO A 77 -13.646 -1.265 3.102 1.00 0.00 C ATOM 1241 O PRO A 77 -14.549 -2.013 2.738 1.00 0.00 O ATOM 1242 CB PRO A 77 -11.181 -1.342 3.565 1.00 0.00 C ATOM 1243 CG PRO A 77 -10.738 -2.446 2.629 1.00 0.00 C ATOM 1244 CD PRO A 77 -11.784 -3.539 2.707 1.00 0.00 C ATOM 0 HA PRO A 77 -12.819 -1.401 5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.229 -0.384 3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.481 -1.223 4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.645 -2.073 1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.759 -2.828 2.919 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.452 -3.527 1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -11.335 -4.531 2.748 1.00 0.00 H new ATOM 1252 N CYS A 78 -13.543 -0.033 2.667 1.00 0.00 N ATOM 1253 CA CYS A 78 -14.493 0.488 1.705 1.00 0.00 C ATOM 1254 C CYS A 78 -13.766 0.690 0.356 1.00 0.00 C ATOM 1255 O CYS A 78 -14.298 1.285 -0.584 1.00 0.00 O ATOM 1256 CB CYS A 78 -15.093 1.806 2.230 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.523 2.432 1.312 1.00 0.00 S ATOM 0 H CYS A 78 -12.820 0.625 2.958 1.00 0.00 H new ATOM 0 HA CYS A 78 -15.315 -0.212 1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -15.385 1.663 3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.314 2.569 2.220 1.00 0.00 H new ATOM 0 HG CYS A 78 -16.333 2.255 0.038 1.00 0.00 H new ATOM 1263 N TYR A 79 -12.547 0.155 0.272 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.730 0.290 -0.924 1.00 0.00 C ATOM 1265 C TYR A 79 -11.444 -1.098 -1.524 1.00 0.00 C ATOM 1266 O TYR A 79 -12.161 -1.546 -2.408 1.00 0.00 O ATOM 1267 CB TYR A 79 -10.418 1.050 -0.606 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.600 1.443 -1.827 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.863 2.628 -2.490 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -8.574 0.637 -2.313 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -9.136 3.004 -3.596 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.841 1.007 -3.428 1.00 0.00 C ATOM 1273 CZ TYR A 79 -8.129 2.199 -4.062 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.419 2.579 -5.185 1.00 0.00 O ATOM 0 H TYR A 79 -12.107 -0.377 1.023 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.277 0.875 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.663 1.951 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.802 0.428 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.654 3.270 -2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.346 -0.292 -1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.359 3.934 -4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.052 0.369 -3.798 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.840 1.842 -5.471 1.00 0.00 H new ATOM 1284 N GLY A 80 -10.449 -1.790 -0.990 1.00 0.00 N ATOM 1285 CA GLY A 80 -10.089 -3.098 -1.481 1.00 0.00 C ATOM 1286 C GLY A 80 -8.947 -3.656 -0.672 1.00 0.00 C ATOM 1287 O GLY A 80 -8.540 -3.034 0.310 1.00 0.00 O ATOM 0 H GLY A 80 -9.878 -1.459 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.948 -3.767 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.805 -3.036 -2.531 1.00 0.00 H new ATOM 1291 N THR A 81 -8.431 -4.793 -1.064 1.00 0.00 N ATOM 1292 CA THR A 81 -7.348 -5.427 -0.360 1.00 0.00 C ATOM 1293 C THR A 81 -6.072 -5.345 -1.208 1.00 0.00 C ATOM 1294 O THR A 81 -6.120 -5.392 -2.450 1.00 0.00 O ATOM 1295 CB THR A 81 -7.708 -6.884 -0.004 1.00 0.00 C ATOM 1296 OG1 THR A 81 -8.953 -6.902 0.710 1.00 0.00 O ATOM 1297 CG2 THR A 81 -6.646 -7.522 0.870 1.00 0.00 C ATOM 0 H THR A 81 -8.753 -5.307 -1.884 1.00 0.00 H new ATOM 0 HA THR A 81 -7.169 -4.905 0.580 1.00 0.00 H new ATOM 0 HB THR A 81 -7.781 -7.448 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.837 -6.467 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.933 -8.548 1.101 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.692 -7.522 0.342 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.548 -6.955 1.796 1.00 0.00 H new ATOM 1305 N ALA A 82 -4.953 -5.261 -0.547 1.00 0.00 N ATOM 1306 CA ALA A 82 -3.697 -5.085 -1.201 1.00 0.00 C ATOM 1307 C ALA A 82 -2.708 -6.195 -0.917 1.00 0.00 C ATOM 1308 O ALA A 82 -2.569 -6.643 0.210 1.00 0.00 O ATOM 1309 CB ALA A 82 -3.100 -3.791 -0.709 1.00 0.00 C ATOM 0 H ALA A 82 -4.891 -5.314 0.470 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.884 -5.087 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.137 -3.628 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.771 -2.966 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.960 -3.842 0.371 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.054 -6.643 -1.961 1.00 0.00 N ATOM 1316 CA VAL A 83 -1.006 -7.619 -1.870 1.00 0.00 C ATOM 1317 C VAL A 83 0.244 -6.956 -2.473 1.00 0.00 C ATOM 1318 O VAL A 83 0.276 -6.659 -3.668 1.00 0.00 O ATOM 1319 CB VAL A 83 -1.349 -8.913 -2.675 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -0.268 -9.972 -2.508 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.711 -9.468 -2.273 1.00 0.00 C ATOM 0 H VAL A 83 -2.242 -6.331 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.859 -7.921 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.392 -8.639 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.537 -10.860 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.683 -9.581 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.175 -10.234 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.922 -10.368 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.706 -9.711 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.481 -8.722 -2.471 1.00 0.00 H new ATOM 1331 N VAL A 84 1.201 -6.619 -1.652 1.00 0.00 N ATOM 1332 CA VAL A 84 2.431 -6.011 -2.134 1.00 0.00 C ATOM 1333 C VAL A 84 3.565 -7.057 -2.005 1.00 0.00 C ATOM 1334 O VAL A 84 3.668 -7.712 -0.972 1.00 0.00 O ATOM 1335 CB VAL A 84 2.791 -4.691 -1.321 1.00 0.00 C ATOM 1336 CG1 VAL A 84 1.652 -3.693 -1.377 1.00 0.00 C ATOM 1337 CG2 VAL A 84 3.175 -4.954 0.127 1.00 0.00 C ATOM 0 H VAL A 84 1.161 -6.752 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 84 2.304 -5.714 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 84 3.671 -4.274 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.923 -2.800 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.456 -3.422 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.757 -4.138 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.407 -4.010 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.344 -5.437 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.049 -5.604 0.159 1.00 0.00 H new ATOM 1347 N GLU A 85 4.335 -7.291 -3.058 1.00 0.00 N ATOM 1348 CA GLU A 85 5.455 -8.235 -2.961 1.00 0.00 C ATOM 1349 C GLU A 85 6.717 -7.638 -3.557 1.00 0.00 C ATOM 1350 O GLU A 85 6.777 -7.320 -4.752 1.00 0.00 O ATOM 1351 CB GLU A 85 5.175 -9.589 -3.632 1.00 0.00 C ATOM 1352 CG GLU A 85 6.348 -10.558 -3.452 1.00 0.00 C ATOM 1353 CD GLU A 85 6.229 -11.854 -4.197 1.00 0.00 C ATOM 1354 OE1 GLU A 85 6.324 -11.852 -5.440 1.00 0.00 O ATOM 1355 OE2 GLU A 85 6.094 -12.916 -3.551 1.00 0.00 O ATOM 0 H GLU A 85 4.215 -6.855 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 85 5.590 -8.420 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.272 -10.027 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.987 -9.438 -4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.263 -10.058 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.457 -10.777 -2.390 1.00 0.00 H new ATOM 1362 N LEU A 86 7.711 -7.476 -2.740 1.00 0.00 N ATOM 1363 CA LEU A 86 8.969 -6.942 -3.175 1.00 0.00 C ATOM 1364 C LEU A 86 9.956 -8.106 -3.394 1.00 0.00 C ATOM 1365 O LEU A 86 10.024 -9.012 -2.584 1.00 0.00 O ATOM 1366 CB LEU A 86 9.502 -6.000 -2.095 1.00 0.00 C ATOM 1367 CG LEU A 86 10.711 -5.143 -2.461 1.00 0.00 C ATOM 1368 CD1 LEU A 86 10.334 -4.026 -3.418 1.00 0.00 C ATOM 1369 CD2 LEU A 86 11.387 -4.604 -1.218 1.00 0.00 C ATOM 0 H LEU A 86 7.675 -7.711 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 86 8.849 -6.392 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.692 -5.334 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.762 -6.598 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 86 11.426 -5.782 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.219 -3.437 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.926 -4.454 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.586 -3.385 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.245 -3.997 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.681 -3.992 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.722 -5.435 -0.597 1.00 0.00 H new ATOM 1381 N PRO A 87 10.707 -8.117 -4.504 1.00 0.00 N ATOM 1382 CA PRO A 87 11.706 -9.167 -4.769 1.00 0.00 C ATOM 1383 C PRO A 87 13.054 -8.850 -4.105 1.00 0.00 C ATOM 1384 O PRO A 87 14.009 -9.632 -4.168 1.00 0.00 O ATOM 1385 CB PRO A 87 11.836 -9.119 -6.284 1.00 0.00 C ATOM 1386 CG PRO A 87 11.614 -7.694 -6.624 1.00 0.00 C ATOM 1387 CD PRO A 87 10.617 -7.163 -5.622 1.00 0.00 C ATOM 0 HA PRO A 87 11.414 -10.141 -4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.819 -9.457 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.101 -9.763 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.548 -7.134 -6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.234 -7.593 -7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.867 -6.150 -5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.610 -7.127 -6.038 1.00 0.00 H new ATOM 1395 N VAL A 88 13.112 -7.699 -3.484 1.00 0.00 N ATOM 1396 CA VAL A 88 14.289 -7.242 -2.786 1.00 0.00 C ATOM 1397 C VAL A 88 14.100 -7.639 -1.334 1.00 0.00 C ATOM 1398 O VAL A 88 12.968 -7.872 -0.917 1.00 0.00 O ATOM 1399 CB VAL A 88 14.448 -5.696 -2.894 1.00 0.00 C ATOM 1400 CG1 VAL A 88 15.800 -5.230 -2.370 1.00 0.00 C ATOM 1401 CG2 VAL A 88 14.233 -5.213 -4.320 1.00 0.00 C ATOM 0 H VAL A 88 12.332 -7.043 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 88 15.186 -7.685 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 88 13.675 -5.254 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.872 -4.146 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.901 -5.512 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.596 -5.697 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.351 -4.130 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.965 -5.682 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.228 -5.480 -4.647 1.00 0.00 H new ATOM 1411 N ASP A 89 15.163 -7.744 -0.588 1.00 0.00 N ATOM 1412 CA ASP A 89 15.102 -8.168 0.814 1.00 0.00 C ATOM 1413 C ASP A 89 14.338 -7.141 1.685 1.00 0.00 C ATOM 1414 O ASP A 89 14.374 -5.932 1.392 1.00 0.00 O ATOM 1415 CB ASP A 89 16.529 -8.386 1.347 1.00 0.00 C ATOM 1416 CG ASP A 89 16.568 -8.867 2.783 1.00 0.00 C ATOM 1417 OD1 ASP A 89 16.551 -10.093 3.004 1.00 0.00 O ATOM 1418 OD2 ASP A 89 16.601 -8.034 3.712 1.00 0.00 O ATOM 0 H ASP A 89 16.106 -7.541 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 89 14.551 -9.107 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 89 17.038 -9.113 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.085 -7.451 1.269 1.00 0.00 H new ATOM 1423 N PRO A 90 13.589 -7.617 2.745 1.00 0.00 N ATOM 1424 CA PRO A 90 12.842 -6.755 3.691 1.00 0.00 C ATOM 1425 C PRO A 90 13.670 -5.606 4.314 1.00 0.00 C ATOM 1426 O PRO A 90 13.102 -4.709 4.958 1.00 0.00 O ATOM 1427 CB PRO A 90 12.355 -7.711 4.793 1.00 0.00 C ATOM 1428 CG PRO A 90 12.913 -9.055 4.474 1.00 0.00 C ATOM 1429 CD PRO A 90 13.342 -9.041 3.038 1.00 0.00 C ATOM 0 HA PRO A 90 12.040 -6.244 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.693 -7.375 5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.266 -7.742 4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 90 13.758 -9.282 5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.165 -9.830 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 90 14.240 -9.640 2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.570 -9.453 2.388 1.00 0.00 H new ATOM 1437 N GLU A 91 15.008 -5.628 4.129 1.00 0.00 N ATOM 1438 CA GLU A 91 15.892 -4.557 4.603 1.00 0.00 C ATOM 1439 C GLU A 91 15.466 -3.212 4.012 1.00 0.00 C ATOM 1440 O GLU A 91 15.752 -2.155 4.573 1.00 0.00 O ATOM 1441 CB GLU A 91 17.359 -4.827 4.254 1.00 0.00 C ATOM 1442 CG GLU A 91 17.614 -5.039 2.772 1.00 0.00 C ATOM 1443 CD GLU A 91 19.075 -5.031 2.420 1.00 0.00 C ATOM 1444 OE1 GLU A 91 19.757 -6.053 2.577 1.00 0.00 O ATOM 1445 OE2 GLU A 91 19.575 -3.972 1.973 1.00 0.00 O ATOM 0 H GLU A 91 15.496 -6.385 3.650 1.00 0.00 H new ATOM 0 HA GLU A 91 15.803 -4.526 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.964 -3.989 4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.695 -5.709 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.178 -5.990 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.105 -4.258 2.206 1.00 0.00 H new ATOM 1452 N GLU A 92 14.762 -3.256 2.876 1.00 0.00 N ATOM 1453 CA GLU A 92 14.251 -2.045 2.261 1.00 0.00 C ATOM 1454 C GLU A 92 13.310 -1.302 3.193 1.00 0.00 C ATOM 1455 O GLU A 92 13.202 -0.097 3.113 1.00 0.00 O ATOM 1456 CB GLU A 92 13.571 -2.312 0.927 1.00 0.00 C ATOM 1457 CG GLU A 92 14.528 -2.683 -0.178 1.00 0.00 C ATOM 1458 CD GLU A 92 15.587 -1.628 -0.387 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.275 -0.539 -0.928 1.00 0.00 O ATOM 1460 OE2 GLU A 92 16.742 -1.870 -0.034 1.00 0.00 O ATOM 0 H GLU A 92 14.539 -4.115 2.373 1.00 0.00 H new ATOM 0 HA GLU A 92 15.118 -1.413 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.846 -3.116 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.013 -1.424 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.005 -3.634 0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.973 -2.828 -1.105 1.00 0.00 H new ATOM 1467 N ILE A 93 12.665 -2.020 4.100 1.00 0.00 N ATOM 1468 CA ILE A 93 11.776 -1.397 5.067 1.00 0.00 C ATOM 1469 C ILE A 93 12.561 -0.539 6.048 1.00 0.00 C ATOM 1470 O ILE A 93 12.111 0.519 6.431 1.00 0.00 O ATOM 1471 CB ILE A 93 10.850 -2.430 5.790 1.00 0.00 C ATOM 1472 CG1 ILE A 93 9.768 -2.930 4.824 1.00 0.00 C ATOM 1473 CG2 ILE A 93 10.213 -1.870 7.070 1.00 0.00 C ATOM 1474 CD1 ILE A 93 8.841 -1.828 4.305 1.00 0.00 C ATOM 0 H ILE A 93 12.741 -3.034 4.186 1.00 0.00 H new ATOM 0 HA ILE A 93 11.105 -0.740 4.514 1.00 0.00 H new ATOM 0 HB ILE A 93 11.480 -3.264 6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.249 -3.416 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.168 -3.688 5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.582 -2.633 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.997 -1.581 7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.607 -0.998 6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 93 8.104 -2.261 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.330 -1.357 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.428 -1.080 3.772 1.00 0.00 H new ATOM 1486 N GLU A 94 13.771 -0.958 6.371 1.00 0.00 N ATOM 1487 CA GLU A 94 14.639 -0.200 7.277 1.00 0.00 C ATOM 1488 C GLU A 94 14.927 1.142 6.638 1.00 0.00 C ATOM 1489 O GLU A 94 14.839 2.203 7.279 1.00 0.00 O ATOM 1490 CB GLU A 94 15.954 -0.947 7.490 1.00 0.00 C ATOM 1491 CG GLU A 94 15.780 -2.399 7.890 1.00 0.00 C ATOM 1492 CD GLU A 94 15.025 -2.553 9.167 1.00 0.00 C ATOM 1493 OE1 GLU A 94 15.639 -2.430 10.243 1.00 0.00 O ATOM 1494 OE2 GLU A 94 13.805 -2.794 9.121 1.00 0.00 O ATOM 0 H GLU A 94 14.184 -1.823 6.021 1.00 0.00 H new ATOM 0 HA GLU A 94 14.147 -0.072 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.539 -0.901 6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.530 -0.435 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.256 -2.931 7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.760 -2.864 7.993 1.00 0.00 H new ATOM 1501 N ARG A 95 15.198 1.069 5.357 1.00 0.00 N ATOM 1502 CA ARG A 95 15.464 2.213 4.530 1.00 0.00 C ATOM 1503 C ARG A 95 14.214 3.071 4.456 1.00 0.00 C ATOM 1504 O ARG A 95 14.232 4.245 4.779 1.00 0.00 O ATOM 1505 CB ARG A 95 15.839 1.712 3.136 1.00 0.00 C ATOM 1506 CG ARG A 95 16.167 2.780 2.121 1.00 0.00 C ATOM 1507 CD ARG A 95 16.388 2.146 0.768 1.00 0.00 C ATOM 1508 NE ARG A 95 16.843 3.104 -0.241 1.00 0.00 N ATOM 1509 CZ ARG A 95 16.879 2.871 -1.559 1.00 0.00 C ATOM 1510 NH1 ARG A 95 16.471 1.697 -2.052 1.00 0.00 N ATOM 1511 NH2 ARG A 95 17.346 3.807 -2.386 1.00 0.00 N ATOM 0 H ARG A 95 15.240 0.185 4.850 1.00 0.00 H new ATOM 0 HA ARG A 95 16.278 2.810 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.699 1.048 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.014 1.113 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.354 3.504 2.066 1.00 0.00 H new ATOM 0 HG3 ARG A 95 17.060 3.325 2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 95 17.124 1.348 0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.459 1.685 0.432 1.00 0.00 H new ATOM 0 HE ARG A 95 17.156 4.018 0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.129 0.971 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.502 1.528 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.675 4.698 -2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 95 17.374 3.632 -3.390 1.00 0.00 H new ATOM 1525 N ILE A 96 13.117 2.432 4.129 1.00 0.00 N ATOM 1526 CA ILE A 96 11.831 3.071 3.950 1.00 0.00 C ATOM 1527 C ILE A 96 11.300 3.682 5.241 1.00 0.00 C ATOM 1528 O ILE A 96 10.560 4.624 5.197 1.00 0.00 O ATOM 1529 CB ILE A 96 10.820 2.081 3.291 1.00 0.00 C ATOM 1530 CG1 ILE A 96 11.080 1.961 1.778 1.00 0.00 C ATOM 1531 CG2 ILE A 96 9.345 2.382 3.601 1.00 0.00 C ATOM 1532 CD1 ILE A 96 10.180 0.962 1.065 1.00 0.00 C ATOM 0 H ILE A 96 13.091 1.424 3.975 1.00 0.00 H new ATOM 0 HA ILE A 96 11.965 3.910 3.268 1.00 0.00 H new ATOM 0 HB ILE A 96 11.005 1.111 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.949 2.941 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.119 1.672 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.712 1.647 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 96 9.182 2.333 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.094 3.380 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.430 0.940 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.326 -0.030 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.138 1.259 1.187 1.00 0.00 H new ATOM 1544 N LEU A 97 11.713 3.171 6.379 1.00 0.00 N ATOM 1545 CA LEU A 97 11.285 3.737 7.641 1.00 0.00 C ATOM 1546 C LEU A 97 11.824 5.163 7.779 1.00 0.00 C ATOM 1547 O LEU A 97 11.120 6.068 8.210 1.00 0.00 O ATOM 1548 CB LEU A 97 11.753 2.867 8.815 1.00 0.00 C ATOM 1549 CG LEU A 97 11.290 3.306 10.211 1.00 0.00 C ATOM 1550 CD1 LEU A 97 9.770 3.243 10.329 1.00 0.00 C ATOM 1551 CD2 LEU A 97 11.950 2.457 11.283 1.00 0.00 C ATOM 0 H LEU A 97 12.340 2.370 6.458 1.00 0.00 H new ATOM 0 HA LEU A 97 10.196 3.767 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.408 1.847 8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.843 2.840 8.808 1.00 0.00 H new ATOM 0 HG LEU A 97 11.594 4.342 10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.469 3.559 11.328 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.320 3.904 9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.434 2.221 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.610 2.783 12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.682 1.411 11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 97 13.033 2.567 11.219 1.00 0.00 H new ATOM 1563 N GLU A 98 13.051 5.360 7.354 1.00 0.00 N ATOM 1564 CA GLU A 98 13.680 6.665 7.439 1.00 0.00 C ATOM 1565 C GLU A 98 13.333 7.499 6.199 1.00 0.00 C ATOM 1566 O GLU A 98 13.015 8.680 6.280 1.00 0.00 O ATOM 1567 CB GLU A 98 15.192 6.485 7.525 1.00 0.00 C ATOM 1568 CG GLU A 98 15.957 7.746 7.898 1.00 0.00 C ATOM 1569 CD GLU A 98 15.509 8.318 9.223 1.00 0.00 C ATOM 1570 OE1 GLU A 98 15.630 7.626 10.256 1.00 0.00 O ATOM 1571 OE2 GLU A 98 15.051 9.487 9.263 1.00 0.00 O ATOM 0 H GLU A 98 13.638 4.633 6.944 1.00 0.00 H new ATOM 0 HA GLU A 98 13.317 7.184 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 98 15.412 5.711 8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.558 6.124 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 98 17.023 7.522 7.943 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.822 8.495 7.117 1.00 0.00 H new ATOM 1578 N VAL A 99 13.355 6.848 5.074 1.00 0.00 N ATOM 1579 CA VAL A 99 13.121 7.455 3.767 1.00 0.00 C ATOM 1580 C VAL A 99 11.600 7.625 3.462 1.00 0.00 C ATOM 1581 O VAL A 99 11.233 8.143 2.430 1.00 0.00 O ATOM 1582 CB VAL A 99 13.846 6.561 2.675 1.00 0.00 C ATOM 1583 CG1 VAL A 99 13.650 7.056 1.244 1.00 0.00 C ATOM 1584 CG2 VAL A 99 15.336 6.503 2.967 1.00 0.00 C ATOM 0 H VAL A 99 13.541 5.846 5.023 1.00 0.00 H new ATOM 0 HA VAL A 99 13.535 8.463 3.754 1.00 0.00 H new ATOM 0 HB VAL A 99 13.387 5.575 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.175 6.394 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.587 7.061 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.048 8.066 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.830 5.888 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.751 7.511 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.497 6.069 3.954 1.00 0.00 H new ATOM 1594 N ALA A 100 10.755 7.259 4.410 1.00 0.00 N ATOM 1595 CA ALA A 100 9.273 7.285 4.272 1.00 0.00 C ATOM 1596 C ALA A 100 8.692 8.576 3.701 1.00 0.00 C ATOM 1597 O ALA A 100 7.891 8.533 2.774 1.00 0.00 O ATOM 1598 CB ALA A 100 8.618 6.968 5.591 1.00 0.00 C ATOM 0 H ALA A 100 11.066 6.926 5.323 1.00 0.00 H new ATOM 0 HA ALA A 100 9.049 6.516 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.535 6.991 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.926 5.976 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.918 7.707 6.333 1.00 0.00 H new ATOM 1604 N GLU A 101 9.102 9.693 4.226 1.00 0.00 N ATOM 1605 CA GLU A 101 8.570 10.960 3.783 1.00 0.00 C ATOM 1606 C GLU A 101 9.338 11.528 2.591 1.00 0.00 C ATOM 1607 O GLU A 101 8.709 12.010 1.641 1.00 0.00 O ATOM 1608 CB GLU A 101 8.411 11.974 4.928 1.00 0.00 C ATOM 1609 CG GLU A 101 7.472 11.508 6.043 1.00 0.00 C ATOM 1610 CD GLU A 101 7.220 12.576 7.084 1.00 0.00 C ATOM 1611 OE1 GLU A 101 8.153 12.944 7.813 1.00 0.00 O ATOM 1612 OE2 GLU A 101 6.090 13.092 7.172 1.00 0.00 O ATOM 0 H GLU A 101 9.804 9.759 4.963 1.00 0.00 H new ATOM 0 HA GLU A 101 7.560 10.758 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.392 12.181 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.036 12.913 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.521 11.202 5.606 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.898 10.629 6.527 1.00 0.00 H new ATOM 1619 N PRO A 102 10.694 11.558 2.604 1.00 0.00 N ATOM 1620 CA PRO A 102 11.415 12.034 1.460 1.00 0.00 C ATOM 1621 C PRO A 102 11.626 10.926 0.407 1.00 0.00 C ATOM 1622 O PRO A 102 10.719 10.691 -0.417 1.00 0.00 O ATOM 1623 CB PRO A 102 12.724 12.526 2.050 1.00 0.00 C ATOM 1624 CG PRO A 102 12.967 11.652 3.233 1.00 0.00 C ATOM 1625 CD PRO A 102 11.613 11.222 3.727 1.00 0.00 C ATOM 1626 OXT PRO A 102 12.684 10.265 0.397 1.00 0.00 O ATOM 0 HA PRO A 102 10.881 12.815 0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 102 13.537 12.447 1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 102 12.656 13.574 2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.573 10.788 2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.511 12.191 4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.592 10.156 3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 102 11.336 11.749 4.640 1.00 0.00 H new TER 1634 PRO A 102