USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 846 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 20 LYS NZ :NH3+ -138:sc= 0.66 (180deg=0) USER MOD Set 1.2: A 54 THR OG1 : rot -150:sc= 0 USER MOD Set 1.3: A 58 GLN : amide:sc= 1.74 K(o=2.4,f=-0.35) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 1.21 USER MOD Set 2.2: A 23 CYS SG : rot 81:sc= 0.678 USER MOD Set 3.1: A 11 GLN : amide:sc= 1.72 K(o=2.9,f=-5.2!) USER MOD Set 3.2: A 14 LYS NZ :NH3+ -179:sc= 1.21 (180deg=0) USER MOD Set 4.1: A 7 ASN : amide:sc= 0.346 K(o=0.67,f=0.085) USER MOD Set 4.2: A 60 TYR OH : rot 100:sc= 0.325 USER MOD Single : A 3 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.9) USER MOD Single : A 8 CYS SG : rot -25:sc= 0.202 USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0129) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 120:sc= -0.158 USER MOD Single : A 30 GLN : amide:sc=-0.00901 X(o=-0.009,f=-0.39) USER MOD Single : A 34 SER OG : rot -26:sc= 0.966 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.127 K(o=-0.13,f=-1) USER MOD Single : A 49 THR OG1 : rot -42:sc= 1.21 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.82 K(o=-0.82,f=-7.3!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc=-0.000311 X(o=-0.00031,f=-0.46) USER MOD Single : A 62 GLN : amide:sc= 0.147 K(o=0.15,f=-2.5) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -53:sc= 0.0589 USER MOD Single : A 69 THR OG1 : rot 36:sc= 0.0812 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 17:sc= -0.107 USER MOD Single : A 83 CYS SG : rot 135:sc= 0.228 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-3.5!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= 1.02 (180deg=0.629) USER MOD Single : A 101 GLN : amide:sc= -0.0252 K(o=-0.025,f=-1.3) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -1.711 15.675 -8.670 1.00 0.00 N ATOM 2 CA ALA A 2 -0.931 14.430 -8.739 1.00 0.00 C ATOM 3 C ALA A 2 -1.799 13.192 -9.021 1.00 0.00 C ATOM 4 O ALA A 2 -1.435 12.075 -8.633 1.00 0.00 O ATOM 5 CB ALA A 2 -0.162 14.280 -7.423 1.00 0.00 C ATOM 0 HA ALA A 2 -0.241 14.496 -9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.426 13.363 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.503 15.134 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.867 14.237 -6.593 1.00 0.00 H new ATOM 13 N GLN A 3 -2.945 13.333 -9.696 1.00 0.00 N ATOM 14 CA GLN A 3 -3.960 12.286 -9.828 1.00 0.00 C ATOM 15 C GLN A 3 -3.635 11.354 -11.000 1.00 0.00 C ATOM 16 O GLN A 3 -4.489 11.038 -11.826 1.00 0.00 O ATOM 17 CB GLN A 3 -5.366 12.907 -9.920 1.00 0.00 C ATOM 18 CG GLN A 3 -5.587 13.925 -8.786 1.00 0.00 C ATOM 19 CD GLN A 3 -7.047 14.231 -8.467 1.00 0.00 C ATOM 20 OE1 GLN A 3 -7.975 13.562 -8.913 1.00 0.00 O ATOM 21 NE2 GLN A 3 -7.275 15.225 -7.632 1.00 0.00 N ATOM 0 H GLN A 3 -3.197 14.197 -10.176 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.950 11.664 -8.933 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.490 13.398 -10.885 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.120 12.122 -9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.105 13.550 -7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.086 14.856 -9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.496 15.774 -7.268 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.230 15.445 -7.350 1.00 0.00 H new ATOM 30 N GLU A 4 -2.388 10.891 -11.065 1.00 0.00 N ATOM 31 CA GLU A 4 -1.840 10.120 -12.171 1.00 0.00 C ATOM 32 C GLU A 4 -0.559 9.439 -11.706 1.00 0.00 C ATOM 33 O GLU A 4 -0.439 8.239 -11.920 1.00 0.00 O ATOM 34 CB GLU A 4 -1.597 11.025 -13.383 1.00 0.00 C ATOM 35 CG GLU A 4 -1.001 10.263 -14.572 1.00 0.00 C ATOM 36 CD GLU A 4 -0.900 11.161 -15.802 1.00 0.00 C ATOM 37 OE1 GLU A 4 -0.506 12.340 -15.665 1.00 0.00 O ATOM 38 OE2 GLU A 4 -1.200 10.696 -16.924 1.00 0.00 O ATOM 0 H GLU A 4 -1.710 11.050 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.549 9.353 -12.483 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.538 11.484 -13.684 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.924 11.834 -13.100 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.012 9.888 -14.309 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.621 9.396 -14.800 1.00 0.00 H new ATOM 45 N PHE A 5 0.322 10.126 -10.967 1.00 0.00 N ATOM 46 CA PHE A 5 1.461 9.498 -10.297 1.00 0.00 C ATOM 47 C PHE A 5 0.987 8.291 -9.480 1.00 0.00 C ATOM 48 O PHE A 5 1.438 7.169 -9.706 1.00 0.00 O ATOM 49 CB PHE A 5 2.204 10.518 -9.419 1.00 0.00 C ATOM 50 CG PHE A 5 3.415 9.937 -8.710 1.00 0.00 C ATOM 51 CD1 PHE A 5 4.669 9.925 -9.352 1.00 0.00 C ATOM 52 CD2 PHE A 5 3.293 9.390 -7.418 1.00 0.00 C ATOM 53 CE1 PHE A 5 5.786 9.359 -8.713 1.00 0.00 C ATOM 54 CE2 PHE A 5 4.410 8.826 -6.778 1.00 0.00 C ATOM 55 CZ PHE A 5 5.655 8.801 -7.430 1.00 0.00 C ATOM 0 H PHE A 5 0.262 11.133 -10.819 1.00 0.00 H new ATOM 0 HA PHE A 5 2.165 9.143 -11.050 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.523 11.356 -10.039 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.514 10.917 -8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.773 10.352 -10.339 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.337 9.404 -6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.746 9.353 -9.209 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.312 8.412 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.510 8.353 -6.945 1.00 0.00 H new ATOM 65 N VAL A 6 0.019 8.514 -8.584 1.00 0.00 N ATOM 66 CA VAL A 6 -0.649 7.460 -7.826 1.00 0.00 C ATOM 67 C VAL A 6 -1.420 6.540 -8.777 1.00 0.00 C ATOM 68 O VAL A 6 -1.358 5.319 -8.641 1.00 0.00 O ATOM 69 CB VAL A 6 -1.567 8.119 -6.766 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.785 7.294 -6.323 1.00 0.00 C ATOM 71 CG2 VAL A 6 -0.769 8.469 -5.504 1.00 0.00 C ATOM 0 H VAL A 6 -0.325 9.449 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 6 0.079 6.837 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.951 9.001 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.353 7.854 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.419 7.089 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.448 6.353 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.431 8.931 -4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.338 7.561 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.030 9.165 -5.760 1.00 0.00 H new ATOM 81 N ASN A 7 -2.188 7.110 -9.708 1.00 0.00 N ATOM 82 CA ASN A 7 -3.200 6.350 -10.435 1.00 0.00 C ATOM 83 C ASN A 7 -2.562 5.280 -11.323 1.00 0.00 C ATOM 84 O ASN A 7 -2.998 4.134 -11.311 1.00 0.00 O ATOM 85 CB ASN A 7 -4.110 7.292 -11.234 1.00 0.00 C ATOM 86 CG ASN A 7 -5.519 6.728 -11.274 1.00 0.00 C ATOM 87 OD1 ASN A 7 -5.827 5.837 -12.060 1.00 0.00 O ATOM 88 ND2 ASN A 7 -6.407 7.235 -10.438 1.00 0.00 N ATOM 0 H ASN A 7 -2.127 8.093 -9.974 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.822 5.826 -9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.117 8.282 -10.777 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.727 7.411 -12.247 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.366 6.886 -10.439 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.134 7.975 -9.791 1.00 0.00 H new ATOM 95 N CYS A 8 -1.494 5.647 -12.036 1.00 0.00 N ATOM 96 CA CYS A 8 -0.696 4.772 -12.882 1.00 0.00 C ATOM 97 C CYS A 8 0.070 3.725 -12.070 1.00 0.00 C ATOM 98 O CYS A 8 0.449 2.694 -12.623 1.00 0.00 O ATOM 99 CB CYS A 8 0.286 5.647 -13.682 1.00 0.00 C ATOM 100 SG CYS A 8 1.280 4.664 -14.841 1.00 0.00 S ATOM 0 H CYS A 8 -1.151 6.608 -12.035 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.361 4.225 -13.550 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.270 6.405 -14.233 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.947 6.174 -12.993 1.00 0.00 H new ATOM 0 HG CYS A 8 1.358 3.438 -14.414 1.00 0.00 H new ATOM 106 N LYS A 9 0.349 3.953 -10.783 1.00 0.00 N ATOM 107 CA LYS A 9 1.070 2.953 -10.001 1.00 0.00 C ATOM 108 C LYS A 9 0.191 1.743 -9.758 1.00 0.00 C ATOM 109 O LYS A 9 0.682 0.623 -9.866 1.00 0.00 O ATOM 110 CB LYS A 9 1.585 3.535 -8.678 1.00 0.00 C ATOM 111 CG LYS A 9 2.836 4.377 -8.918 1.00 0.00 C ATOM 112 CD LYS A 9 4.087 3.497 -9.000 1.00 0.00 C ATOM 113 CE LYS A 9 5.293 4.312 -9.451 1.00 0.00 C ATOM 114 NZ LYS A 9 5.262 4.567 -10.903 1.00 0.00 N ATOM 0 H LYS A 9 0.093 4.799 -10.274 1.00 0.00 H new ATOM 0 HA LYS A 9 1.941 2.639 -10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.810 4.147 -8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.811 2.728 -7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.725 4.943 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.950 5.102 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.288 3.051 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.915 2.677 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.313 5.261 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.209 3.781 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.130 5.065 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.199 3.663 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.435 5.154 -11.135 1.00 0.00 H new ATOM 128 N ILE A 10 -1.076 1.939 -9.394 1.00 0.00 N ATOM 129 CA ILE A 10 -1.905 0.819 -8.992 1.00 0.00 C ATOM 130 C ILE A 10 -2.401 0.117 -10.256 1.00 0.00 C ATOM 131 O ILE A 10 -2.866 0.764 -11.197 1.00 0.00 O ATOM 132 CB ILE A 10 -3.063 1.257 -8.074 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.746 2.387 -7.062 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.515 0.037 -7.259 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.850 3.444 -7.076 1.00 0.00 C ATOM 0 H ILE A 10 -1.538 2.848 -9.371 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.316 0.121 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.821 1.657 -8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.648 1.969 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.790 2.848 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.335 0.323 -6.601 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.850 -0.749 -7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.681 -0.330 -6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.611 4.230 -6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.929 3.875 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.799 2.982 -6.805 1.00 0.00 H new ATOM 147 N GLN A 11 -2.355 -1.214 -10.262 1.00 0.00 N ATOM 148 CA GLN A 11 -2.972 -2.035 -11.293 1.00 0.00 C ATOM 149 C GLN A 11 -4.005 -2.952 -10.626 1.00 0.00 C ATOM 150 O GLN A 11 -3.835 -3.317 -9.452 1.00 0.00 O ATOM 151 CB GLN A 11 -1.916 -2.893 -12.005 1.00 0.00 C ATOM 152 CG GLN A 11 -1.155 -2.215 -13.143 1.00 0.00 C ATOM 153 CD GLN A 11 -0.110 -1.213 -12.675 1.00 0.00 C ATOM 154 OE1 GLN A 11 0.993 -1.573 -12.281 1.00 0.00 O ATOM 155 NE2 GLN A 11 -0.415 0.069 -12.752 1.00 0.00 N ATOM 0 H GLN A 11 -1.881 -1.756 -9.540 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.448 -1.391 -12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.193 -3.233 -11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.407 -3.782 -12.402 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.666 -2.980 -13.746 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.868 -1.705 -13.791 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.337 0.355 -13.082 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.271 0.774 -12.482 1.00 0.00 H new ATOM 164 N PRO A 12 -5.047 -3.375 -11.362 1.00 0.00 N ATOM 165 CA PRO A 12 -5.945 -4.434 -10.934 1.00 0.00 C ATOM 166 C PRO A 12 -5.216 -5.785 -11.017 1.00 0.00 C ATOM 167 O PRO A 12 -5.344 -6.512 -12.005 1.00 0.00 O ATOM 168 CB PRO A 12 -7.164 -4.317 -11.859 1.00 0.00 C ATOM 169 CG PRO A 12 -6.586 -3.760 -13.159 1.00 0.00 C ATOM 170 CD PRO A 12 -5.438 -2.873 -12.677 1.00 0.00 C ATOM 0 HA PRO A 12 -6.270 -4.354 -9.897 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.641 -5.285 -12.016 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.920 -3.653 -11.441 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.233 -4.555 -13.816 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.328 -3.190 -13.718 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.599 -2.913 -13.372 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.752 -1.831 -12.616 1.00 0.00 H new ATOM 178 N GLY A 13 -4.400 -6.083 -10.003 1.00 0.00 N ATOM 179 CA GLY A 13 -3.677 -7.328 -9.826 1.00 0.00 C ATOM 180 C GLY A 13 -2.269 -7.190 -9.243 1.00 0.00 C ATOM 181 O GLY A 13 -1.481 -8.128 -9.362 1.00 0.00 O ATOM 0 H GLY A 13 -4.222 -5.422 -9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.260 -7.978 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.605 -7.828 -10.792 1.00 0.00 H new ATOM 185 N LYS A 14 -1.928 -6.068 -8.600 1.00 0.00 N ATOM 186 CA LYS A 14 -0.601 -5.833 -8.021 1.00 0.00 C ATOM 187 C LYS A 14 -0.790 -5.312 -6.602 1.00 0.00 C ATOM 188 O LYS A 14 -1.918 -5.002 -6.201 1.00 0.00 O ATOM 189 CB LYS A 14 0.131 -4.801 -8.901 1.00 0.00 C ATOM 190 CG LYS A 14 1.171 -5.493 -9.788 1.00 0.00 C ATOM 191 CD LYS A 14 1.766 -4.562 -10.847 1.00 0.00 C ATOM 192 CE LYS A 14 2.781 -3.583 -10.247 1.00 0.00 C ATOM 193 NZ LYS A 14 3.338 -2.674 -11.269 1.00 0.00 N ATOM 0 H LYS A 14 -2.573 -5.289 -8.466 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.007 -6.746 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.589 -4.269 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.619 -4.058 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.974 -5.882 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.709 -6.348 -10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.250 -5.157 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.964 -4.003 -11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.301 -2.997 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.591 -4.142 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.033 -2.039 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.803 -3.232 -12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.571 -2.110 -11.687 1.00 0.00 H new ATOM 207 N VAL A 15 0.301 -5.197 -5.851 1.00 0.00 N ATOM 208 CA VAL A 15 0.299 -4.718 -4.486 1.00 0.00 C ATOM 209 C VAL A 15 1.094 -3.416 -4.450 1.00 0.00 C ATOM 210 O VAL A 15 2.302 -3.409 -4.664 1.00 0.00 O ATOM 211 CB VAL A 15 0.885 -5.788 -3.556 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.628 -5.350 -2.113 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.307 -7.192 -3.797 1.00 0.00 C ATOM 0 H VAL A 15 1.231 -5.442 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.714 -4.522 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 15 1.952 -5.869 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.035 -6.094 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.110 -4.389 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.445 -5.254 -1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.766 -7.898 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.771 -7.174 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.516 -7.500 -4.821 1.00 0.00 H new ATOM 223 N VAL A 16 0.423 -2.295 -4.234 1.00 0.00 N ATOM 224 CA VAL A 16 1.010 -0.977 -4.393 1.00 0.00 C ATOM 225 C VAL A 16 0.776 -0.218 -3.104 1.00 0.00 C ATOM 226 O VAL A 16 -0.355 -0.149 -2.623 1.00 0.00 O ATOM 227 CB VAL A 16 0.391 -0.323 -5.634 1.00 0.00 C ATOM 228 CG1 VAL A 16 0.942 1.084 -5.869 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.675 -1.226 -6.848 1.00 0.00 C ATOM 0 H VAL A 16 -0.554 -2.276 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 16 2.087 -0.999 -4.562 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.683 -0.218 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.478 1.513 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.720 1.711 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.021 1.033 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.243 -0.779 -7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.752 -1.331 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.232 -2.208 -6.683 1.00 0.00 H new ATOM 239 N VAL A 17 1.843 0.310 -2.516 1.00 0.00 N ATOM 240 CA VAL A 17 1.800 0.866 -1.180 1.00 0.00 C ATOM 241 C VAL A 17 2.425 2.247 -1.228 1.00 0.00 C ATOM 242 O VAL A 17 3.614 2.378 -1.492 1.00 0.00 O ATOM 243 CB VAL A 17 2.504 -0.073 -0.189 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.234 0.413 1.242 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.062 -1.537 -0.338 1.00 0.00 C ATOM 0 H VAL A 17 2.761 0.362 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 17 0.773 0.963 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 17 3.571 -0.044 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.731 -0.249 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.618 1.426 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.161 0.408 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.593 -2.153 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.989 -1.613 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.290 -1.885 -1.345 1.00 0.00 H new ATOM 255 N PHE A 18 1.628 3.287 -1.014 1.00 0.00 N ATOM 256 CA PHE A 18 2.121 4.659 -1.048 1.00 0.00 C ATOM 257 C PHE A 18 2.757 4.966 0.301 1.00 0.00 C ATOM 258 O PHE A 18 2.066 4.859 1.317 1.00 0.00 O ATOM 259 CB PHE A 18 0.954 5.594 -1.390 1.00 0.00 C ATOM 260 CG PHE A 18 0.448 5.318 -2.786 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.254 5.658 -3.889 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.764 4.629 -2.984 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.856 5.301 -5.185 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.173 4.296 -4.284 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.361 4.632 -5.381 1.00 0.00 C ATOM 0 H PHE A 18 0.631 3.205 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 18 2.882 4.804 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.147 5.457 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.277 6.632 -1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.179 6.194 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.377 4.358 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.485 5.540 -6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.110 3.782 -4.442 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.676 4.373 -6.381 1.00 0.00 H new ATOM 275 N ILE A 19 4.048 5.308 0.320 1.00 0.00 N ATOM 276 CA ILE A 19 4.871 5.437 1.519 1.00 0.00 C ATOM 277 C ILE A 19 5.664 6.739 1.512 1.00 0.00 C ATOM 278 O ILE A 19 5.885 7.344 0.468 1.00 0.00 O ATOM 279 CB ILE A 19 5.875 4.261 1.618 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.853 4.158 0.422 1.00 0.00 C ATOM 281 CG2 ILE A 19 5.148 2.928 1.792 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.238 3.659 0.842 1.00 0.00 C ATOM 0 H ILE A 19 4.566 5.510 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 19 4.194 5.429 2.373 1.00 0.00 H new ATOM 0 HB ILE A 19 6.476 4.481 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.438 3.483 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.950 5.136 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.878 2.121 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.553 2.955 2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.494 2.756 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.886 3.605 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.668 4.348 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.148 2.669 1.289 1.00 0.00 H new ATOM 294 N LYS A 20 6.193 7.117 2.669 1.00 0.00 N ATOM 295 CA LYS A 20 7.215 8.149 2.791 1.00 0.00 C ATOM 296 C LYS A 20 8.396 7.503 3.508 1.00 0.00 C ATOM 297 O LYS A 20 8.172 6.729 4.439 1.00 0.00 O ATOM 298 CB LYS A 20 6.676 9.410 3.493 1.00 0.00 C ATOM 299 CG LYS A 20 5.784 9.139 4.711 1.00 0.00 C ATOM 300 CD LYS A 20 5.314 10.415 5.425 1.00 0.00 C ATOM 301 CE LYS A 20 4.562 11.426 4.545 1.00 0.00 C ATOM 302 NZ LYS A 20 3.974 12.512 5.355 1.00 0.00 N ATOM 0 H LYS A 20 5.920 6.709 3.563 1.00 0.00 H new ATOM 0 HA LYS A 20 7.536 8.512 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.521 10.022 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.110 9.997 2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.911 8.569 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.330 8.516 5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.667 10.129 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.184 10.911 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.245 11.848 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.774 10.914 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.016 12.723 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.926 12.216 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.565 13.364 5.275 1.00 0.00 H new ATOM 316 N PRO A 21 9.642 7.786 3.099 1.00 0.00 N ATOM 317 CA PRO A 21 10.809 7.090 3.618 1.00 0.00 C ATOM 318 C PRO A 21 11.164 7.540 5.044 1.00 0.00 C ATOM 319 O PRO A 21 12.054 6.960 5.676 1.00 0.00 O ATOM 320 CB PRO A 21 11.935 7.430 2.636 1.00 0.00 C ATOM 321 CG PRO A 21 11.561 8.822 2.131 1.00 0.00 C ATOM 322 CD PRO A 21 10.034 8.760 2.092 1.00 0.00 C ATOM 0 HA PRO A 21 10.632 6.017 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.909 7.429 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.988 6.708 1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.918 9.606 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.984 9.024 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.599 9.737 2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.681 8.462 1.104 1.00 0.00 H new ATOM 330 N THR A 22 10.525 8.600 5.536 1.00 0.00 N ATOM 331 CA THR A 22 10.760 9.266 6.807 1.00 0.00 C ATOM 332 C THR A 22 10.135 8.543 8.002 1.00 0.00 C ATOM 333 O THR A 22 10.549 8.810 9.135 1.00 0.00 O ATOM 334 CB THR A 22 10.095 10.657 6.710 1.00 0.00 C ATOM 335 OG1 THR A 22 8.798 10.550 6.140 1.00 0.00 O ATOM 336 CG2 THR A 22 10.899 11.633 5.848 1.00 0.00 C ATOM 0 H THR A 22 9.772 9.047 5.012 1.00 0.00 H new ATOM 0 HA THR A 22 11.837 9.298 6.975 1.00 0.00 H new ATOM 0 HB THR A 22 10.046 11.039 7.730 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.390 11.439 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.387 12.595 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.892 11.766 6.278 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.992 11.235 4.838 1.00 0.00 H new ATOM 344 N CYS A 23 9.160 7.655 7.772 1.00 0.00 N ATOM 345 CA CYS A 23 8.206 7.273 8.797 1.00 0.00 C ATOM 346 C CYS A 23 8.157 5.766 9.115 1.00 0.00 C ATOM 347 O CYS A 23 8.047 4.929 8.214 1.00 0.00 O ATOM 348 CB CYS A 23 6.868 7.861 8.339 1.00 0.00 C ATOM 349 SG CYS A 23 6.962 9.670 8.272 1.00 0.00 S ATOM 0 H CYS A 23 9.018 7.190 6.875 1.00 0.00 H new ATOM 0 HA CYS A 23 8.507 7.674 9.765 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.608 7.467 7.356 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.076 7.557 9.024 1.00 0.00 H new ATOM 0 HG CYS A 23 7.530 10.034 7.161 1.00 0.00 H new ATOM 354 N PRO A 24 8.140 5.408 10.411 1.00 0.00 N ATOM 355 CA PRO A 24 8.228 4.024 10.847 1.00 0.00 C ATOM 356 C PRO A 24 6.937 3.247 10.578 1.00 0.00 C ATOM 357 O PRO A 24 6.966 2.017 10.595 1.00 0.00 O ATOM 358 CB PRO A 24 8.562 4.100 12.339 1.00 0.00 C ATOM 359 CG PRO A 24 7.895 5.398 12.782 1.00 0.00 C ATOM 360 CD PRO A 24 8.072 6.297 11.565 1.00 0.00 C ATOM 0 HA PRO A 24 8.990 3.475 10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.171 3.240 12.883 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.638 4.122 12.510 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.843 5.250 13.027 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.372 5.817 13.668 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.239 6.994 11.471 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.980 6.894 11.651 1.00 0.00 H new ATOM 368 N TYR A 25 5.820 3.911 10.274 1.00 0.00 N ATOM 369 CA TYR A 25 4.569 3.221 9.981 1.00 0.00 C ATOM 370 C TYR A 25 4.675 2.579 8.602 1.00 0.00 C ATOM 371 O TYR A 25 4.191 1.462 8.404 1.00 0.00 O ATOM 372 CB TYR A 25 3.401 4.215 10.032 1.00 0.00 C ATOM 373 CG TYR A 25 3.231 4.788 11.421 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.684 3.987 12.443 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.736 6.067 11.723 1.00 0.00 C ATOM 376 CE1 TYR A 25 2.677 4.445 13.769 1.00 0.00 C ATOM 377 CE2 TYR A 25 3.743 6.526 13.050 1.00 0.00 C ATOM 378 CZ TYR A 25 3.230 5.705 14.080 1.00 0.00 C ATOM 379 OH TYR A 25 3.316 6.111 15.376 1.00 0.00 O ATOM 0 H TYR A 25 5.760 4.928 10.225 1.00 0.00 H new ATOM 0 HA TYR A 25 4.385 2.445 10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.576 5.023 9.321 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.481 3.716 9.727 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.269 3.019 12.205 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.119 6.696 10.933 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.249 3.834 14.550 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.139 7.503 13.283 1.00 0.00 H new ATOM 0 HH TYR A 25 3.722 7.002 15.413 1.00 0.00 H new ATOM 389 N CYS A 26 5.372 3.236 7.668 1.00 0.00 N ATOM 390 CA CYS A 26 5.690 2.655 6.377 1.00 0.00 C ATOM 391 C CYS A 26 6.648 1.481 6.606 1.00 0.00 C ATOM 392 O CYS A 26 6.384 0.393 6.102 1.00 0.00 O ATOM 393 CB CYS A 26 6.296 3.737 5.477 1.00 0.00 C ATOM 394 SG CYS A 26 4.945 4.844 4.974 1.00 0.00 S ATOM 0 H CYS A 26 5.727 4.184 7.794 1.00 0.00 H new ATOM 0 HA CYS A 26 4.800 2.277 5.875 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.068 4.291 6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.770 3.289 4.604 1.00 0.00 H new ATOM 0 HG CYS A 26 5.198 6.052 5.383 1.00 0.00 H new ATOM 400 N ARG A 27 7.698 1.663 7.416 1.00 0.00 N ATOM 401 CA ARG A 27 8.654 0.611 7.773 1.00 0.00 C ATOM 402 C ARG A 27 7.979 -0.658 8.304 1.00 0.00 C ATOM 403 O ARG A 27 8.290 -1.737 7.800 1.00 0.00 O ATOM 404 CB ARG A 27 9.707 1.178 8.724 1.00 0.00 C ATOM 405 CG ARG A 27 10.873 0.194 8.837 1.00 0.00 C ATOM 406 CD ARG A 27 11.913 0.659 9.865 1.00 0.00 C ATOM 407 NE ARG A 27 12.943 1.492 9.230 1.00 0.00 N ATOM 408 CZ ARG A 27 12.916 2.812 9.030 1.00 0.00 C ATOM 409 NH1 ARG A 27 11.974 3.571 9.581 1.00 0.00 N ATOM 410 NH2 ARG A 27 13.837 3.382 8.268 1.00 0.00 N ATOM 0 H ARG A 27 7.910 2.562 7.849 1.00 0.00 H new ATOM 0 HA ARG A 27 9.160 0.284 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.063 2.141 8.357 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.269 1.354 9.706 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.494 -0.788 9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.349 0.082 7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.420 1.224 10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.379 -0.208 10.334 1.00 0.00 H new ATOM 0 HE ARG A 27 13.777 1.005 8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.256 3.147 10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.969 4.578 9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.565 2.813 7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.819 4.390 8.114 1.00 0.00 H new ATOM 424 N ARG A 28 7.061 -0.562 9.276 1.00 0.00 N ATOM 425 CA ARG A 28 6.352 -1.749 9.771 1.00 0.00 C ATOM 426 C ARG A 28 5.649 -2.421 8.614 1.00 0.00 C ATOM 427 O ARG A 28 5.853 -3.606 8.375 1.00 0.00 O ATOM 428 CB ARG A 28 5.317 -1.422 10.857 1.00 0.00 C ATOM 429 CG ARG A 28 4.645 -2.705 11.415 1.00 0.00 C ATOM 430 CD ARG A 28 4.898 -2.922 12.925 1.00 0.00 C ATOM 431 NE ARG A 28 5.226 -4.328 13.224 1.00 0.00 N ATOM 432 CZ ARG A 28 6.400 -4.908 12.938 1.00 0.00 C ATOM 433 NH1 ARG A 28 7.485 -4.163 12.748 1.00 0.00 N ATOM 434 NH2 ARG A 28 6.494 -6.225 12.822 1.00 0.00 N ATOM 0 H ARG A 28 6.795 0.312 9.729 1.00 0.00 H new ATOM 0 HA ARG A 28 7.098 -2.404 10.220 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.801 -0.882 11.670 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.554 -0.761 10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.571 -2.650 11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.015 -3.570 10.864 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.715 -2.279 13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.013 -2.626 13.489 1.00 0.00 H new ATOM 0 HE ARG A 28 4.512 -4.897 13.679 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.425 -3.147 12.820 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.377 -4.607 12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.667 -6.809 12.951 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.393 -6.655 12.604 1.00 0.00 H new ATOM 448 N ALA A 29 4.790 -1.665 7.935 1.00 0.00 N ATOM 449 CA ALA A 29 3.988 -2.207 6.855 1.00 0.00 C ATOM 450 C ALA A 29 4.859 -2.876 5.796 1.00 0.00 C ATOM 451 O ALA A 29 4.448 -3.904 5.276 1.00 0.00 O ATOM 452 CB ALA A 29 3.134 -1.111 6.224 1.00 0.00 C ATOM 0 H ALA A 29 4.635 -0.674 8.118 1.00 0.00 H new ATOM 0 HA ALA A 29 3.331 -2.968 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.538 -1.534 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.472 -0.686 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.781 -0.329 5.827 1.00 0.00 H new ATOM 458 N GLN A 30 6.052 -2.353 5.505 1.00 0.00 N ATOM 459 CA GLN A 30 7.012 -2.954 4.619 1.00 0.00 C ATOM 460 C GLN A 30 7.375 -4.359 5.031 1.00 0.00 C ATOM 461 O GLN A 30 7.312 -5.252 4.187 1.00 0.00 O ATOM 462 CB GLN A 30 8.282 -2.078 4.549 1.00 0.00 C ATOM 463 CG GLN A 30 8.530 -1.616 3.119 1.00 0.00 C ATOM 464 CD GLN A 30 8.621 -0.097 3.037 1.00 0.00 C ATOM 465 OE1 GLN A 30 7.612 0.586 2.904 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.810 0.465 3.168 1.00 0.00 N ATOM 0 H GLN A 30 6.373 -1.469 5.901 1.00 0.00 H new ATOM 0 HA GLN A 30 6.550 -3.017 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.172 -1.213 5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.142 -2.643 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.454 -2.059 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.725 -1.970 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.640 -0.117 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.898 1.481 3.159 1.00 0.00 H new ATOM 475 N GLU A 31 7.797 -4.560 6.279 1.00 0.00 N ATOM 476 CA GLU A 31 8.219 -5.886 6.690 1.00 0.00 C ATOM 477 C GLU A 31 7.000 -6.785 6.672 1.00 0.00 C ATOM 478 O GLU A 31 7.026 -7.778 5.952 1.00 0.00 O ATOM 479 CB GLU A 31 8.994 -5.931 8.018 1.00 0.00 C ATOM 480 CG GLU A 31 8.315 -5.284 9.232 1.00 0.00 C ATOM 481 CD GLU A 31 8.893 -5.784 10.547 1.00 0.00 C ATOM 482 OE1 GLU A 31 8.491 -6.881 11.000 1.00 0.00 O ATOM 483 OE2 GLU A 31 9.630 -5.034 11.218 1.00 0.00 O ATOM 0 H GLU A 31 7.853 -3.841 7.000 1.00 0.00 H new ATOM 0 HA GLU A 31 8.960 -6.251 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.198 -6.974 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.957 -5.444 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.428 -4.201 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.246 -5.495 9.203 1.00 0.00 H new ATOM 490 N ILE A 32 5.926 -6.363 7.342 1.00 0.00 N ATOM 491 CA ILE A 32 4.658 -7.057 7.477 1.00 0.00 C ATOM 492 C ILE A 32 4.212 -7.563 6.116 1.00 0.00 C ATOM 493 O ILE A 32 3.926 -8.752 5.972 1.00 0.00 O ATOM 494 CB ILE A 32 3.647 -6.095 8.149 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.804 -6.180 9.684 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.189 -6.313 7.728 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.794 -5.328 10.462 1.00 0.00 C ATOM 0 H ILE A 32 5.926 -5.469 7.834 1.00 0.00 H new ATOM 0 HA ILE A 32 4.742 -7.937 8.115 1.00 0.00 H new ATOM 0 HB ILE A 32 3.888 -5.091 7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.700 -7.220 9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.812 -5.866 9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.550 -5.598 8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.096 -6.170 6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.883 -7.327 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.970 -5.442 11.532 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.911 -4.281 10.184 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.782 -5.655 10.224 1.00 0.00 H new ATOM 509 N LEU A 33 4.147 -6.667 5.125 1.00 0.00 N ATOM 510 CA LEU A 33 3.652 -7.076 3.829 1.00 0.00 C ATOM 511 C LEU A 33 4.681 -7.997 3.195 1.00 0.00 C ATOM 512 O LEU A 33 4.303 -9.042 2.669 1.00 0.00 O ATOM 513 CB LEU A 33 3.361 -5.908 2.867 1.00 0.00 C ATOM 514 CG LEU A 33 1.863 -5.610 2.711 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.700 -4.360 1.853 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.096 -6.755 2.027 1.00 0.00 C ATOM 0 H LEU A 33 4.423 -5.688 5.200 1.00 0.00 H new ATOM 0 HA LEU A 33 2.698 -7.575 3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.867 -5.013 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.783 -6.138 1.889 1.00 0.00 H new ATOM 0 HG LEU A 33 1.453 -5.479 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.640 -4.136 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.196 -3.519 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.147 -4.530 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.042 -6.488 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.507 -6.925 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.194 -7.664 2.620 1.00 0.00 H new ATOM 528 N SER A 34 5.968 -7.611 3.218 1.00 0.00 N ATOM 529 CA SER A 34 6.970 -8.401 2.517 1.00 0.00 C ATOM 530 C SER A 34 7.133 -9.828 3.079 1.00 0.00 C ATOM 531 O SER A 34 7.682 -10.671 2.369 1.00 0.00 O ATOM 532 CB SER A 34 8.313 -7.672 2.514 1.00 0.00 C ATOM 533 OG SER A 34 8.864 -7.623 3.818 1.00 0.00 O ATOM 0 H SER A 34 6.322 -6.784 3.699 1.00 0.00 H new ATOM 0 HA SER A 34 6.611 -8.515 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.005 -8.179 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.181 -6.660 2.132 1.00 0.00 H new ATOM 0 HG SER A 34 8.143 -7.667 4.480 1.00 0.00 H new ATOM 539 N GLN A 35 6.699 -10.122 4.316 1.00 0.00 N ATOM 540 CA GLN A 35 6.978 -11.417 4.942 1.00 0.00 C ATOM 541 C GLN A 35 6.120 -12.502 4.299 1.00 0.00 C ATOM 542 O GLN A 35 6.564 -13.646 4.180 1.00 0.00 O ATOM 543 CB GLN A 35 6.658 -11.426 6.449 1.00 0.00 C ATOM 544 CG GLN A 35 7.452 -10.431 7.307 1.00 0.00 C ATOM 545 CD GLN A 35 7.872 -11.025 8.647 1.00 0.00 C ATOM 546 OE1 GLN A 35 7.034 -11.491 9.415 1.00 0.00 O ATOM 547 NE2 GLN A 35 9.156 -11.017 8.968 1.00 0.00 N ATOM 0 H GLN A 35 6.157 -9.482 4.896 1.00 0.00 H new ATOM 0 HA GLN A 35 8.043 -11.602 4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.595 -11.220 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.836 -12.431 6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.339 -10.111 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.847 -9.541 7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.841 -10.627 8.321 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.460 -11.401 9.863 1.00 0.00 H new ATOM 556 N LEU A 36 4.904 -12.151 3.875 1.00 0.00 N ATOM 557 CA LEU A 36 4.045 -13.044 3.122 1.00 0.00 C ATOM 558 C LEU A 36 4.722 -13.291 1.768 1.00 0.00 C ATOM 559 O LEU A 36 5.225 -12.328 1.184 1.00 0.00 O ATOM 560 CB LEU A 36 2.656 -12.406 2.955 1.00 0.00 C ATOM 561 CG LEU A 36 1.937 -12.079 4.282 1.00 0.00 C ATOM 562 CD1 LEU A 36 0.558 -11.486 3.985 1.00 0.00 C ATOM 563 CD2 LEU A 36 1.759 -13.309 5.176 1.00 0.00 C ATOM 0 H LEU A 36 4.493 -11.234 4.049 1.00 0.00 H new ATOM 0 HA LEU A 36 3.903 -13.994 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.759 -11.488 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.028 -13.081 2.373 1.00 0.00 H new ATOM 0 HG LEU A 36 2.565 -11.365 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.051 -11.256 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.673 -10.573 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.034 -12.206 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.248 -13.020 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.166 -14.058 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.736 -13.726 5.420 1.00 0.00 H new ATOM 575 N PRO A 37 4.775 -14.534 1.256 1.00 0.00 N ATOM 576 CA PRO A 37 5.490 -14.870 0.026 1.00 0.00 C ATOM 577 C PRO A 37 4.677 -14.419 -1.195 1.00 0.00 C ATOM 578 O PRO A 37 3.981 -15.217 -1.823 1.00 0.00 O ATOM 579 CB PRO A 37 5.700 -16.388 0.097 1.00 0.00 C ATOM 580 CG PRO A 37 4.490 -16.876 0.895 1.00 0.00 C ATOM 581 CD PRO A 37 4.232 -15.734 1.877 1.00 0.00 C ATOM 0 HA PRO A 37 6.450 -14.363 -0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.734 -16.836 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.637 -16.641 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.629 -17.055 0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.701 -17.812 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.166 -15.622 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.714 -15.928 2.835 1.00 0.00 H new ATOM 589 N ILE A 38 4.695 -13.118 -1.488 1.00 0.00 N ATOM 590 CA ILE A 38 3.818 -12.491 -2.471 1.00 0.00 C ATOM 591 C ILE A 38 4.574 -12.633 -3.795 1.00 0.00 C ATOM 592 O ILE A 38 5.806 -12.543 -3.803 1.00 0.00 O ATOM 593 CB ILE A 38 3.637 -11.009 -2.054 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.524 -10.979 -0.990 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.222 -10.078 -3.223 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.546 -9.688 -0.175 1.00 0.00 C ATOM 0 H ILE A 38 5.332 -12.460 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 38 2.824 -12.932 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 38 4.596 -10.640 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.554 -11.084 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.639 -11.832 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.114 -9.058 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.987 -10.105 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.272 -10.416 -3.638 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.744 -9.710 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.505 -9.595 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.404 -8.836 -0.840 1.00 0.00 H new ATOM 608 N LYS A 39 3.853 -12.825 -4.908 1.00 0.00 N ATOM 609 CA LYS A 39 4.489 -13.073 -6.198 1.00 0.00 C ATOM 610 C LYS A 39 5.500 -11.961 -6.465 1.00 0.00 C ATOM 611 O LYS A 39 5.142 -10.783 -6.426 1.00 0.00 O ATOM 612 CB LYS A 39 3.478 -13.231 -7.344 1.00 0.00 C ATOM 613 CG LYS A 39 3.091 -14.704 -7.597 1.00 0.00 C ATOM 614 CD LYS A 39 3.696 -15.307 -8.867 1.00 0.00 C ATOM 615 CE LYS A 39 2.960 -14.765 -10.103 1.00 0.00 C ATOM 616 NZ LYS A 39 3.391 -15.430 -11.347 1.00 0.00 N ATOM 0 H LYS A 39 2.833 -12.812 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 39 5.008 -14.030 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.580 -12.658 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.900 -12.808 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.404 -15.302 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.005 -14.777 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.756 -15.062 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.621 -16.394 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.887 -14.902 -9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.136 -13.693 -10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.868 -15.032 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.410 -15.278 -11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.199 -16.450 -11.280 1.00 0.00 H new ATOM 630 N GLN A 40 6.757 -12.335 -6.691 1.00 0.00 N ATOM 631 CA GLN A 40 7.843 -11.371 -6.718 1.00 0.00 C ATOM 632 C GLN A 40 7.655 -10.446 -7.914 1.00 0.00 C ATOM 633 O GLN A 40 7.591 -10.928 -9.050 1.00 0.00 O ATOM 634 CB GLN A 40 9.211 -12.069 -6.729 1.00 0.00 C ATOM 635 CG GLN A 40 10.280 -11.217 -6.024 1.00 0.00 C ATOM 636 CD GLN A 40 10.137 -11.209 -4.498 1.00 0.00 C ATOM 637 OE1 GLN A 40 9.265 -11.852 -3.920 1.00 0.00 O ATOM 638 NE2 GLN A 40 10.997 -10.487 -3.804 1.00 0.00 N ATOM 0 H GLN A 40 7.044 -13.299 -6.858 1.00 0.00 H new ATOM 0 HA GLN A 40 7.820 -10.770 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.131 -13.037 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.516 -12.260 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.268 -11.594 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.221 -10.193 -6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.721 -9.954 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.938 -10.463 -2.786 1.00 0.00 H new ATOM 647 N GLY A 41 7.580 -9.144 -7.662 1.00 0.00 N ATOM 648 CA GLY A 41 7.316 -8.114 -8.651 1.00 0.00 C ATOM 649 C GLY A 41 5.903 -7.556 -8.524 1.00 0.00 C ATOM 650 O GLY A 41 5.596 -6.572 -9.200 1.00 0.00 O ATOM 0 H GLY A 41 7.707 -8.765 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.038 -7.305 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.456 -8.526 -9.651 1.00 0.00 H new ATOM 654 N LEU A 42 5.029 -8.137 -7.688 1.00 0.00 N ATOM 655 CA LEU A 42 3.745 -7.531 -7.422 1.00 0.00 C ATOM 656 C LEU A 42 3.867 -6.373 -6.436 1.00 0.00 C ATOM 657 O LEU A 42 3.052 -5.462 -6.547 1.00 0.00 O ATOM 658 CB LEU A 42 2.723 -8.525 -6.879 1.00 0.00 C ATOM 659 CG LEU A 42 2.317 -9.695 -7.788 1.00 0.00 C ATOM 660 CD1 LEU A 42 1.051 -10.301 -7.191 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.022 -9.319 -9.239 1.00 0.00 C ATOM 0 H LEU A 42 5.198 -9.015 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 42 3.393 -7.163 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.118 -8.941 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.820 -7.971 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 42 3.166 -10.378 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.724 -11.139 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.257 -10.651 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.266 -9.546 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.745 -10.213 -9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.201 -8.603 -9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.910 -8.872 -9.687 1.00 0.00 H new ATOM 673 N LEU A 43 4.788 -6.431 -5.461 1.00 0.00 N ATOM 674 CA LEU A 43 4.862 -5.470 -4.358 1.00 0.00 C ATOM 675 C LEU A 43 5.730 -4.278 -4.767 1.00 0.00 C ATOM 676 O LEU A 43 6.916 -4.454 -5.057 1.00 0.00 O ATOM 677 CB LEU A 43 5.393 -6.124 -3.054 1.00 0.00 C ATOM 678 CG LEU A 43 4.730 -5.702 -1.713 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.147 -4.279 -1.659 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.636 -6.695 -1.312 1.00 0.00 C ATOM 0 H LEU A 43 5.507 -7.154 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 43 3.852 -5.119 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.289 -7.204 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.460 -5.912 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 43 5.561 -5.708 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.713 -4.101 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.940 -3.554 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.375 -4.173 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.186 -6.380 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.871 -6.726 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.071 -7.687 -1.192 1.00 0.00 H new ATOM 692 N GLU A 44 5.175 -3.065 -4.753 1.00 0.00 N ATOM 693 CA GLU A 44 5.939 -1.830 -4.873 1.00 0.00 C ATOM 694 C GLU A 44 5.560 -0.880 -3.737 1.00 0.00 C ATOM 695 O GLU A 44 4.378 -0.625 -3.491 1.00 0.00 O ATOM 696 CB GLU A 44 5.747 -1.192 -6.254 1.00 0.00 C ATOM 697 CG GLU A 44 6.804 -0.092 -6.439 1.00 0.00 C ATOM 698 CD GLU A 44 6.737 0.572 -7.811 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.902 -0.151 -8.821 1.00 0.00 O ATOM 700 OE2 GLU A 44 6.614 1.814 -7.883 1.00 0.00 O ATOM 0 H GLU A 44 4.171 -2.915 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 44 7.002 -2.055 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.845 -1.946 -7.035 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.745 -0.772 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.671 0.666 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.796 -0.521 -6.297 1.00 0.00 H new ATOM 707 N PHE A 45 6.579 -0.346 -3.064 1.00 0.00 N ATOM 708 CA PHE A 45 6.461 0.671 -2.033 1.00 0.00 C ATOM 709 C PHE A 45 6.850 2.002 -2.684 1.00 0.00 C ATOM 710 O PHE A 45 8.026 2.252 -2.956 1.00 0.00 O ATOM 711 CB PHE A 45 7.322 0.282 -0.823 1.00 0.00 C ATOM 712 CG PHE A 45 6.877 -1.017 -0.167 1.00 0.00 C ATOM 713 CD1 PHE A 45 5.807 -1.009 0.748 1.00 0.00 C ATOM 714 CD2 PHE A 45 7.504 -2.239 -0.484 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.354 -2.207 1.331 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.063 -3.436 0.111 1.00 0.00 C ATOM 717 CZ PHE A 45 5.987 -3.423 1.017 1.00 0.00 C ATOM 0 H PHE A 45 7.545 -0.625 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 45 5.448 0.766 -1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.360 0.185 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.287 1.085 -0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.330 -0.075 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.325 -2.257 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.521 -2.193 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.553 -4.368 -0.129 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.648 -4.343 1.470 1.00 0.00 H new ATOM 727 N VAL A 46 5.847 2.802 -3.032 1.00 0.00 N ATOM 728 CA VAL A 46 5.921 3.977 -3.880 1.00 0.00 C ATOM 729 C VAL A 46 6.231 5.187 -3.004 1.00 0.00 C ATOM 730 O VAL A 46 5.409 5.568 -2.168 1.00 0.00 O ATOM 731 CB VAL A 46 4.579 4.162 -4.612 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.710 5.273 -5.661 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.077 2.871 -5.275 1.00 0.00 C ATOM 0 H VAL A 46 4.897 2.630 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 46 6.707 3.864 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 46 3.840 4.439 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.758 5.401 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.985 6.207 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.480 5.003 -6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.128 3.064 -5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.809 2.529 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.937 2.102 -4.515 1.00 0.00 H new ATOM 743 N ASP A 47 7.405 5.786 -3.182 1.00 0.00 N ATOM 744 CA ASP A 47 7.829 6.964 -2.436 1.00 0.00 C ATOM 745 C ASP A 47 7.009 8.192 -2.857 1.00 0.00 C ATOM 746 O ASP A 47 7.154 8.676 -3.983 1.00 0.00 O ATOM 747 CB ASP A 47 9.324 7.189 -2.679 1.00 0.00 C ATOM 748 CG ASP A 47 9.912 8.157 -1.662 1.00 0.00 C ATOM 749 OD1 ASP A 47 9.351 9.256 -1.468 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.924 7.777 -1.033 1.00 0.00 O ATOM 0 H ASP A 47 8.097 5.462 -3.858 1.00 0.00 H new ATOM 0 HA ASP A 47 7.658 6.808 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.851 6.236 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.476 7.579 -3.685 1.00 0.00 H new ATOM 755 N ILE A 48 6.130 8.699 -1.988 1.00 0.00 N ATOM 756 CA ILE A 48 5.325 9.901 -2.232 1.00 0.00 C ATOM 757 C ILE A 48 6.067 11.204 -1.866 1.00 0.00 C ATOM 758 O ILE A 48 5.440 12.256 -1.770 1.00 0.00 O ATOM 759 CB ILE A 48 3.900 9.799 -1.633 1.00 0.00 C ATOM 760 CG1 ILE A 48 3.801 9.662 -0.099 1.00 0.00 C ATOM 761 CG2 ILE A 48 3.166 8.622 -2.306 1.00 0.00 C ATOM 762 CD1 ILE A 48 2.431 10.064 0.466 1.00 0.00 C ATOM 0 H ILE A 48 5.954 8.277 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 48 5.175 9.957 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 48 3.435 10.762 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.011 8.629 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.571 10.280 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.160 8.537 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.105 8.798 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.713 7.698 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.434 9.942 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.227 11.106 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.658 9.430 0.032 1.00 0.00 H new ATOM 774 N THR A 49 7.382 11.177 -1.638 1.00 0.00 N ATOM 775 CA THR A 49 8.167 12.363 -1.292 1.00 0.00 C ATOM 776 C THR A 49 9.181 12.702 -2.387 1.00 0.00 C ATOM 777 O THR A 49 9.315 13.872 -2.755 1.00 0.00 O ATOM 778 CB THR A 49 8.842 12.188 0.087 1.00 0.00 C ATOM 779 OG1 THR A 49 9.888 11.238 0.107 1.00 0.00 O ATOM 780 CG2 THR A 49 7.853 11.781 1.181 1.00 0.00 C ATOM 0 H THR A 49 7.937 10.323 -1.689 1.00 0.00 H new ATOM 0 HA THR A 49 7.486 13.211 -1.220 1.00 0.00 H new ATOM 0 HB THR A 49 9.254 13.178 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.626 10.452 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.382 11.672 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.085 12.548 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.387 10.832 0.915 1.00 0.00 H new ATOM 788 N ALA A 50 9.877 11.682 -2.905 1.00 0.00 N ATOM 789 CA ALA A 50 11.145 11.837 -3.597 1.00 0.00 C ATOM 790 C ALA A 50 11.066 12.797 -4.781 1.00 0.00 C ATOM 791 O ALA A 50 11.863 13.730 -4.842 1.00 0.00 O ATOM 792 CB ALA A 50 11.723 10.466 -3.971 1.00 0.00 C ATOM 0 H ALA A 50 9.562 10.713 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 50 11.842 12.310 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.673 10.600 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.883 9.879 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.025 9.943 -4.624 1.00 0.00 H new ATOM 798 N THR A 51 10.115 12.623 -5.694 1.00 0.00 N ATOM 799 CA THR A 51 10.003 13.488 -6.871 1.00 0.00 C ATOM 800 C THR A 51 8.613 14.125 -7.004 1.00 0.00 C ATOM 801 O THR A 51 8.328 14.791 -8.004 1.00 0.00 O ATOM 802 CB THR A 51 10.412 12.688 -8.116 1.00 0.00 C ATOM 803 OG1 THR A 51 9.527 11.608 -8.328 1.00 0.00 O ATOM 804 CG2 THR A 51 11.832 12.114 -8.035 1.00 0.00 C ATOM 0 H THR A 51 9.408 11.890 -5.644 1.00 0.00 H new ATOM 0 HA THR A 51 10.684 14.331 -6.757 1.00 0.00 H new ATOM 0 HB THR A 51 10.374 13.401 -8.940 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.803 11.111 -9.126 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.054 11.561 -8.948 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.548 12.928 -7.921 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.905 11.444 -7.178 1.00 0.00 H new ATOM 812 N ASN A 52 7.730 13.907 -6.025 1.00 0.00 N ATOM 813 CA ASN A 52 6.305 14.220 -6.085 1.00 0.00 C ATOM 814 C ASN A 52 5.839 14.847 -4.763 1.00 0.00 C ATOM 815 O ASN A 52 6.653 15.379 -4.009 1.00 0.00 O ATOM 816 CB ASN A 52 5.500 12.983 -6.517 1.00 0.00 C ATOM 817 CG ASN A 52 5.429 11.935 -5.423 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.467 11.884 -4.674 1.00 0.00 O ATOM 819 ND2 ASN A 52 6.447 11.112 -5.286 1.00 0.00 N ATOM 0 H ASN A 52 8.003 13.491 -5.135 1.00 0.00 H new ATOM 0 HA ASN A 52 6.121 14.973 -6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.490 13.287 -6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.956 12.547 -7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.442 10.414 -4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.241 11.172 -5.924 1.00 0.00 H new ATOM 826 N HIS A 53 4.530 14.868 -4.500 1.00 0.00 N ATOM 827 CA HIS A 53 3.896 15.777 -3.559 1.00 0.00 C ATOM 828 C HIS A 53 3.028 14.961 -2.623 1.00 0.00 C ATOM 829 O HIS A 53 1.834 14.790 -2.877 1.00 0.00 O ATOM 830 CB HIS A 53 3.077 16.807 -4.347 1.00 0.00 C ATOM 831 CG HIS A 53 3.973 17.798 -5.025 1.00 0.00 C ATOM 832 ND1 HIS A 53 4.631 18.846 -4.424 1.00 0.00 N ATOM 833 CD2 HIS A 53 4.411 17.699 -6.315 1.00 0.00 C ATOM 834 CE1 HIS A 53 5.471 19.364 -5.333 1.00 0.00 C ATOM 835 NE2 HIS A 53 5.344 18.717 -6.506 1.00 0.00 N ATOM 0 H HIS A 53 3.870 14.234 -4.951 1.00 0.00 H new ATOM 0 HA HIS A 53 4.632 16.317 -2.963 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.463 16.298 -5.090 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.396 17.328 -3.674 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.095 16.971 -7.047 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.151 20.183 -5.150 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.838 18.931 -7.372 1.00 0.00 H new ATOM 843 N THR A 54 3.640 14.473 -1.547 1.00 0.00 N ATOM 844 CA THR A 54 3.011 13.657 -0.511 1.00 0.00 C ATOM 845 C THR A 54 1.709 14.322 -0.138 1.00 0.00 C ATOM 846 O THR A 54 0.669 13.713 -0.288 1.00 0.00 O ATOM 847 CB THR A 54 3.888 13.323 0.712 1.00 0.00 C ATOM 848 OG1 THR A 54 3.206 13.213 1.948 1.00 0.00 O ATOM 849 CG2 THR A 54 4.973 14.333 0.980 1.00 0.00 C ATOM 0 H THR A 54 4.629 14.642 -1.365 1.00 0.00 H new ATOM 0 HA THR A 54 2.838 12.666 -0.931 1.00 0.00 H new ATOM 0 HB THR A 54 4.283 12.355 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.806 13.474 2.677 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.546 14.028 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.635 14.394 0.116 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.524 15.309 1.163 1.00 0.00 H new ATOM 857 N ASN A 55 1.788 15.534 0.407 1.00 0.00 N ATOM 858 CA ASN A 55 0.638 16.303 0.894 1.00 0.00 C ATOM 859 C ASN A 55 -0.555 16.270 -0.067 1.00 0.00 C ATOM 860 O ASN A 55 -1.674 15.977 0.350 1.00 0.00 O ATOM 861 CB ASN A 55 1.042 17.750 1.203 1.00 0.00 C ATOM 862 CG ASN A 55 0.061 18.377 2.188 1.00 0.00 C ATOM 863 OD1 ASN A 55 -1.115 18.596 1.900 1.00 0.00 O ATOM 864 ND2 ASN A 55 0.530 18.663 3.386 1.00 0.00 N ATOM 0 H ASN A 55 2.675 16.024 0.527 1.00 0.00 H new ATOM 0 HA ASN A 55 0.311 15.820 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.049 17.772 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.065 18.333 0.282 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.084 19.072 4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.507 18.475 3.609 1.00 0.00 H new ATOM 871 N GLU A 56 -0.329 16.532 -1.358 1.00 0.00 N ATOM 872 CA GLU A 56 -1.324 16.434 -2.400 1.00 0.00 C ATOM 873 C GLU A 56 -1.874 15.011 -2.515 1.00 0.00 C ATOM 874 O GLU A 56 -3.079 14.788 -2.453 1.00 0.00 O ATOM 875 CB GLU A 56 -0.636 16.895 -3.701 1.00 0.00 C ATOM 876 CG GLU A 56 -1.539 17.781 -4.544 1.00 0.00 C ATOM 877 CD GLU A 56 -1.683 17.252 -5.973 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.804 17.533 -6.820 1.00 0.00 O ATOM 879 OE2 GLU A 56 -2.646 16.505 -6.269 1.00 0.00 O ATOM 0 H GLU A 56 0.584 16.826 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.188 17.061 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.276 17.438 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.340 16.022 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.523 17.844 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.134 18.792 -4.570 1.00 0.00 H new ATOM 886 N ILE A 57 -0.985 14.030 -2.648 1.00 0.00 N ATOM 887 CA ILE A 57 -1.320 12.620 -2.792 1.00 0.00 C ATOM 888 C ILE A 57 -2.023 12.073 -1.540 1.00 0.00 C ATOM 889 O ILE A 57 -2.846 11.168 -1.645 1.00 0.00 O ATOM 890 CB ILE A 57 -0.025 11.862 -3.174 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.099 11.962 -4.706 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.031 10.403 -2.697 1.00 0.00 C ATOM 893 CD1 ILE A 57 1.511 11.734 -5.236 1.00 0.00 C ATOM 0 H ILE A 57 0.020 14.203 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.048 12.473 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 57 0.818 12.325 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.570 11.232 -5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.241 12.948 -5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.973 9.954 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.042 10.373 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.799 9.846 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.510 11.822 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.184 12.480 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.849 10.737 -4.953 1.00 0.00 H new ATOM 905 N GLN A 58 -1.707 12.582 -0.352 1.00 0.00 N ATOM 906 CA GLN A 58 -2.197 12.102 0.925 1.00 0.00 C ATOM 907 C GLN A 58 -3.689 12.440 0.948 1.00 0.00 C ATOM 908 O GLN A 58 -4.499 11.562 1.263 1.00 0.00 O ATOM 909 CB GLN A 58 -1.431 12.778 2.089 1.00 0.00 C ATOM 910 CG GLN A 58 -0.212 11.959 2.565 1.00 0.00 C ATOM 911 CD GLN A 58 0.242 12.289 3.989 1.00 0.00 C ATOM 912 OE1 GLN A 58 1.256 12.947 4.193 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.452 11.809 5.005 1.00 0.00 N ATOM 0 H GLN A 58 -1.074 13.376 -0.255 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.042 11.030 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.097 13.766 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.112 12.926 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.456 10.898 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.619 12.132 1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.295 11.262 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.145 11.986 5.961 1.00 0.00 H new ATOM 922 N ASP A 59 -4.005 13.672 0.538 1.00 0.00 N ATOM 923 CA ASP A 59 -5.324 14.266 0.372 1.00 0.00 C ATOM 924 C ASP A 59 -6.096 13.546 -0.724 1.00 0.00 C ATOM 925 O ASP A 59 -7.200 13.072 -0.492 1.00 0.00 O ATOM 926 CB ASP A 59 -5.137 15.740 -0.011 1.00 0.00 C ATOM 927 CG ASP A 59 -6.181 16.685 0.561 1.00 0.00 C ATOM 928 OD1 ASP A 59 -7.327 16.282 0.851 1.00 0.00 O ATOM 929 OD2 ASP A 59 -5.809 17.872 0.739 1.00 0.00 O ATOM 0 H ASP A 59 -3.271 14.336 0.292 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.889 14.180 1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.152 16.065 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.149 15.823 -1.098 1.00 0.00 H new ATOM 934 N TYR A 60 -5.495 13.407 -1.908 1.00 0.00 N ATOM 935 CA TYR A 60 -6.084 12.715 -3.049 1.00 0.00 C ATOM 936 C TYR A 60 -6.495 11.294 -2.680 1.00 0.00 C ATOM 937 O TYR A 60 -7.609 10.877 -2.978 1.00 0.00 O ATOM 938 CB TYR A 60 -5.097 12.698 -4.225 1.00 0.00 C ATOM 939 CG TYR A 60 -5.560 11.869 -5.411 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.849 12.053 -5.943 1.00 0.00 C ATOM 941 CD2 TYR A 60 -4.717 10.879 -5.958 1.00 0.00 C ATOM 942 CE1 TYR A 60 -7.298 11.258 -7.008 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.156 10.089 -7.038 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.449 10.283 -7.573 1.00 0.00 C ATOM 945 OH TYR A 60 -6.855 9.551 -8.646 1.00 0.00 O ATOM 0 H TYR A 60 -4.566 13.781 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.982 13.256 -3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.925 13.722 -4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.140 12.311 -3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.497 12.811 -5.529 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.730 10.726 -5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.297 11.393 -7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.505 9.336 -7.457 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.465 9.925 -9.464 1.00 0.00 H new ATOM 955 N LEU A 61 -5.609 10.545 -2.024 1.00 0.00 N ATOM 956 CA LEU A 61 -5.892 9.186 -1.586 1.00 0.00 C ATOM 957 C LEU A 61 -6.991 9.178 -0.519 1.00 0.00 C ATOM 958 O LEU A 61 -7.836 8.288 -0.556 1.00 0.00 O ATOM 959 CB LEU A 61 -4.600 8.526 -1.085 1.00 0.00 C ATOM 960 CG LEU A 61 -3.619 8.104 -2.194 1.00 0.00 C ATOM 961 CD1 LEU A 61 -2.285 7.666 -1.582 1.00 0.00 C ATOM 962 CD2 LEU A 61 -4.197 6.960 -3.016 1.00 0.00 C ATOM 0 H LEU A 61 -4.672 10.869 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.264 8.604 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.092 9.218 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.862 7.646 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.455 8.962 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.600 7.370 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.853 8.494 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.451 6.822 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.488 6.677 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.385 6.104 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.132 7.279 -3.476 1.00 0.00 H new ATOM 974 N GLN A 62 -7.038 10.164 0.389 1.00 0.00 N ATOM 975 CA GLN A 62 -8.159 10.301 1.319 1.00 0.00 C ATOM 976 C GLN A 62 -9.465 10.515 0.562 1.00 0.00 C ATOM 977 O GLN A 62 -10.494 9.939 0.906 1.00 0.00 O ATOM 978 CB GLN A 62 -7.919 11.454 2.307 1.00 0.00 C ATOM 979 CG GLN A 62 -9.124 11.636 3.246 1.00 0.00 C ATOM 980 CD GLN A 62 -8.783 12.027 4.671 1.00 0.00 C ATOM 981 OE1 GLN A 62 -8.306 13.124 4.939 1.00 0.00 O ATOM 982 NE2 GLN A 62 -9.084 11.163 5.623 1.00 0.00 N ATOM 0 H GLN A 62 -6.313 10.874 0.496 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.235 9.375 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.023 11.254 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.740 12.378 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.780 12.398 2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.690 10.705 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.480 10.255 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.920 11.404 6.601 1.00 0.00 H new ATOM 991 N GLN A 63 -9.437 11.375 -0.443 1.00 0.00 N ATOM 992 CA GLN A 63 -10.591 11.638 -1.288 1.00 0.00 C ATOM 993 C GLN A 63 -11.024 10.363 -2.022 1.00 0.00 C ATOM 994 O GLN A 63 -12.215 10.110 -2.194 1.00 0.00 O ATOM 995 CB GLN A 63 -10.248 12.739 -2.302 1.00 0.00 C ATOM 996 CG GLN A 63 -11.467 13.612 -2.623 1.00 0.00 C ATOM 997 CD GLN A 63 -11.505 13.987 -4.098 1.00 0.00 C ATOM 998 OE1 GLN A 63 -10.655 14.726 -4.592 1.00 0.00 O ATOM 999 NE2 GLN A 63 -12.467 13.472 -4.842 1.00 0.00 N ATOM 0 H GLN A 63 -8.609 11.913 -0.697 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.418 11.970 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.447 13.363 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.873 12.285 -3.219 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.379 13.078 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.439 14.517 -2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.166 12.860 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.511 13.686 -5.838 1.00 0.00 H new ATOM 1008 N LEU A 64 -10.057 9.599 -2.534 1.00 0.00 N ATOM 1009 CA LEU A 64 -10.286 8.462 -3.423 1.00 0.00 C ATOM 1010 C LEU A 64 -10.796 7.265 -2.601 1.00 0.00 C ATOM 1011 O LEU A 64 -11.533 6.447 -3.154 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.971 8.148 -4.176 1.00 0.00 C ATOM 1013 CG LEU A 64 -8.780 6.725 -4.743 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -9.443 6.630 -6.120 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -7.295 6.402 -4.909 1.00 0.00 C ATOM 0 H LEU A 64 -9.069 9.759 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.050 8.691 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.885 8.851 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.142 8.351 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.231 6.019 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.308 5.625 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.508 6.843 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.986 7.354 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.184 5.394 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.842 7.117 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.799 6.464 -3.940 1.00 0.00 H new ATOM 1027 N THR A 65 -10.416 7.141 -1.320 1.00 0.00 N ATOM 1028 CA THR A 65 -10.835 6.040 -0.455 1.00 0.00 C ATOM 1029 C THR A 65 -11.483 6.615 0.809 1.00 0.00 C ATOM 1030 O THR A 65 -12.713 6.658 0.887 1.00 0.00 O ATOM 1031 CB THR A 65 -9.686 5.025 -0.218 1.00 0.00 C ATOM 1032 OG1 THR A 65 -8.697 5.458 0.698 1.00 0.00 O ATOM 1033 CG2 THR A 65 -8.932 4.687 -1.507 1.00 0.00 C ATOM 0 H THR A 65 -9.803 7.812 -0.856 1.00 0.00 H new ATOM 0 HA THR A 65 -11.601 5.439 -0.944 1.00 0.00 H new ATOM 0 HB THR A 65 -10.212 4.161 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.360 6.337 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.138 3.973 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.623 4.251 -2.229 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.498 5.596 -1.923 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.691 7.135 1.755 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.210 7.727 2.984 1.00 0.00 C ATOM 1043 C GLY A 66 -10.186 8.050 4.080 1.00 0.00 C ATOM 1044 O GLY A 66 -10.566 8.724 5.039 1.00 0.00 O ATOM 0 H GLY A 66 -9.674 7.155 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.732 8.648 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.952 7.047 3.402 1.00 0.00 H new ATOM 1048 N ALA A 67 -8.907 7.653 3.986 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.886 7.988 4.995 1.00 0.00 C ATOM 1050 C ALA A 67 -6.704 8.712 4.363 1.00 0.00 C ATOM 1051 O ALA A 67 -6.318 8.391 3.239 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.382 6.731 5.706 1.00 0.00 C ATOM 0 H ALA A 67 -8.551 7.093 3.212 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.360 8.646 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.630 7.008 6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.215 6.236 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.941 6.052 4.976 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.090 9.640 5.101 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.918 10.411 4.686 1.00 0.00 C ATOM 1060 C ARG A 68 -3.619 9.790 5.173 1.00 0.00 C ATOM 1061 O ARG A 68 -2.580 10.020 4.551 1.00 0.00 O ATOM 1062 CB ARG A 68 -5.037 11.868 5.172 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.490 12.154 6.585 1.00 0.00 C ATOM 1064 CD ARG A 68 -5.079 13.453 7.149 1.00 0.00 C ATOM 1065 NE ARG A 68 -6.304 13.235 7.936 1.00 0.00 N ATOM 1066 CZ ARG A 68 -7.350 14.064 8.047 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -7.513 15.067 7.190 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -8.219 13.888 9.038 1.00 0.00 N ATOM 0 H ARG A 68 -6.408 9.883 6.039 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.890 10.399 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.514 12.511 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.088 12.155 5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.732 11.323 7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.403 12.228 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.333 13.942 7.776 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.299 14.133 6.326 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.362 12.358 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.838 15.211 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.313 15.693 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.085 13.127 9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.019 14.514 9.132 1.00 0.00 H new ATOM 1082 N THR A 69 -3.647 9.070 6.297 1.00 0.00 N ATOM 1083 CA THR A 69 -2.451 8.543 6.937 1.00 0.00 C ATOM 1084 C THR A 69 -1.765 7.595 5.971 1.00 0.00 C ATOM 1085 O THR A 69 -2.434 6.743 5.394 1.00 0.00 O ATOM 1086 CB THR A 69 -2.840 7.785 8.213 1.00 0.00 C ATOM 1087 OG1 THR A 69 -3.966 6.955 7.963 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.184 8.751 9.344 1.00 0.00 C ATOM 0 H THR A 69 -4.510 8.837 6.788 1.00 0.00 H new ATOM 0 HA THR A 69 -1.779 9.359 7.201 1.00 0.00 H new ATOM 0 HB THR A 69 -1.985 7.178 8.511 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.911 6.594 7.054 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.456 8.186 10.235 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.320 9.379 9.562 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.022 9.379 9.043 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.454 7.716 5.818 1.00 0.00 N ATOM 1097 CA VAL A 70 0.356 6.747 5.102 1.00 0.00 C ATOM 1098 C VAL A 70 0.749 5.623 6.076 1.00 0.00 C ATOM 1099 O VAL A 70 0.747 5.846 7.290 1.00 0.00 O ATOM 1100 CB VAL A 70 1.581 7.425 4.441 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.260 7.796 2.989 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.024 8.713 5.160 1.00 0.00 C ATOM 0 H VAL A 70 0.081 8.499 6.193 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.216 6.309 4.284 1.00 0.00 H new ATOM 0 HB VAL A 70 2.391 6.698 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.129 8.272 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.007 6.895 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.416 8.485 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.886 9.138 4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.206 9.433 5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.293 8.480 6.190 1.00 0.00 H new ATOM 1112 N PRO A 71 1.119 4.432 5.574 1.00 0.00 N ATOM 1113 CA PRO A 71 0.959 4.003 4.189 1.00 0.00 C ATOM 1114 C PRO A 71 -0.520 3.897 3.790 1.00 0.00 C ATOM 1115 O PRO A 71 -1.400 3.981 4.636 1.00 0.00 O ATOM 1116 CB PRO A 71 1.653 2.641 4.109 1.00 0.00 C ATOM 1117 CG PRO A 71 1.535 2.099 5.528 1.00 0.00 C ATOM 1118 CD PRO A 71 1.654 3.352 6.382 1.00 0.00 C ATOM 0 HA PRO A 71 1.393 4.725 3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.167 1.985 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.694 2.738 3.802 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.585 1.590 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.323 1.381 5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.096 3.246 7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.692 3.544 6.653 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.808 3.708 2.502 1.00 0.00 N ATOM 1127 CA ARG A 72 -2.083 3.156 2.030 1.00 0.00 C ATOM 1128 C ARG A 72 -1.668 1.920 1.261 1.00 0.00 C ATOM 1129 O ARG A 72 -0.963 2.079 0.261 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.860 4.114 1.097 1.00 0.00 C ATOM 1131 CG ARG A 72 -4.082 4.831 1.701 1.00 0.00 C ATOM 1132 CD ARG A 72 -3.794 5.812 2.834 1.00 0.00 C ATOM 1133 NE ARG A 72 -2.689 6.717 2.490 1.00 0.00 N ATOM 1134 CZ ARG A 72 -2.754 7.976 2.051 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -3.897 8.651 2.003 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -1.638 8.551 1.620 1.00 0.00 N ATOM 0 H ARG A 72 -0.159 3.935 1.749 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.759 2.967 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.166 4.872 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.194 3.546 0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.593 5.370 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.775 4.075 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.690 6.394 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.546 5.261 3.741 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.750 6.334 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.764 8.208 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.908 9.612 1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.760 8.032 1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.658 9.512 1.279 1.00 0.00 H new ATOM 1150 N VAL A 73 -2.012 0.727 1.738 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.818 -0.487 0.962 1.00 0.00 C ATOM 1152 C VAL A 73 -3.012 -0.615 0.025 1.00 0.00 C ATOM 1153 O VAL A 73 -4.148 -0.726 0.486 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.697 -1.715 1.881 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.818 -3.012 1.057 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.387 -1.698 2.677 1.00 0.00 C ATOM 0 H VAL A 73 -2.426 0.578 2.658 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.891 -0.435 0.392 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.515 -1.677 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.731 -3.873 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.786 -3.036 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.023 -3.045 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.337 -2.581 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.458 -1.700 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.349 -0.801 3.295 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.743 -0.692 -1.273 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.682 -1.139 -2.281 1.00 0.00 C ATOM 1168 C PHE A 74 -3.295 -2.563 -2.649 1.00 0.00 C ATOM 1169 O PHE A 74 -2.171 -2.804 -3.091 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.669 -0.229 -3.516 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.361 1.104 -3.316 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -3.713 2.138 -2.615 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.662 1.308 -3.816 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -4.371 3.362 -2.406 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -6.320 2.531 -3.605 1.00 0.00 C ATOM 1176 CZ PHE A 74 -5.675 3.556 -2.894 1.00 0.00 C ATOM 0 H PHE A 74 -1.835 -0.436 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.699 -1.101 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.635 -0.048 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.147 -0.753 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.712 1.991 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.156 0.520 -4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.873 4.156 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.318 2.682 -3.988 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.181 4.494 -2.722 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.219 -3.503 -2.485 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.117 -4.839 -3.048 1.00 0.00 C ATOM 1188 C ILE A 75 -5.157 -4.841 -4.180 1.00 0.00 C ATOM 1189 O ILE A 75 -6.343 -4.612 -3.935 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.287 -5.919 -1.937 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -2.960 -6.538 -1.441 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.105 -7.118 -2.444 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.211 -5.778 -0.369 1.00 0.00 C ATOM 0 H ILE A 75 -5.073 -3.353 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.142 -5.095 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.774 -5.373 -1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.172 -7.538 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.298 -6.655 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.206 -7.853 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.094 -6.779 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.596 -7.572 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.300 -6.317 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.953 -4.786 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.840 -5.682 0.516 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.714 -5.042 -5.426 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.578 -5.177 -6.598 1.00 0.00 C ATOM 1207 C GLY A 76 -6.518 -3.987 -6.777 1.00 0.00 C ATOM 1208 O GLY A 76 -7.737 -4.151 -6.807 1.00 0.00 O ATOM 0 H GLY A 76 -3.722 -5.117 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.960 -5.284 -7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.167 -6.090 -6.507 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.958 -2.784 -6.917 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.655 -1.514 -7.061 1.00 0.00 C ATOM 1214 C LYS A 77 -7.818 -1.271 -6.102 1.00 0.00 C ATOM 1215 O LYS A 77 -8.721 -0.508 -6.438 1.00 0.00 O ATOM 1216 CB LYS A 77 -6.950 -1.204 -8.544 1.00 0.00 C ATOM 1217 CG LYS A 77 -6.641 0.267 -8.885 1.00 0.00 C ATOM 1218 CD LYS A 77 -7.878 1.117 -9.212 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.501 2.601 -9.352 1.00 0.00 C ATOM 1220 NZ LYS A 77 -8.700 3.446 -9.529 1.00 0.00 N ATOM 0 H LYS A 77 -4.945 -2.668 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.953 -0.755 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.354 -1.859 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.997 -1.417 -8.760 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.117 0.720 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.961 0.295 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.333 0.764 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.624 0.999 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.953 2.924 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.834 2.730 -10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.413 4.441 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.208 3.152 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.324 3.340 -8.704 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.773 -1.814 -4.891 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.580 -1.266 -3.803 1.00 0.00 C ATOM 1236 C ASP A 78 -7.729 -1.187 -2.548 1.00 0.00 C ATOM 1237 O ASP A 78 -6.767 -1.949 -2.410 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.893 -2.023 -3.584 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.999 -0.991 -3.379 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -10.874 -0.127 -2.482 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -11.909 -0.933 -4.237 1.00 0.00 O ATOM 0 H ASP A 78 -7.198 -2.618 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.894 -0.260 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.116 -2.657 -4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.816 -2.678 -2.716 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.019 -0.217 -1.683 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.221 0.047 -0.498 1.00 0.00 C ATOM 1248 C CYS A 79 -7.698 -0.856 0.625 1.00 0.00 C ATOM 1249 O CYS A 79 -8.892 -0.884 0.922 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.328 1.512 -0.080 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.020 1.872 1.123 1.00 0.00 S ATOM 0 H CYS A 79 -8.818 0.408 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.174 -0.158 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.230 2.161 -0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.307 1.710 0.356 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.112 0.943 1.068 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.783 -1.551 1.293 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.108 -2.353 2.453 1.00 0.00 C ATOM 1259 C ILE A 80 -7.135 -1.477 3.709 1.00 0.00 C ATOM 1260 O ILE A 80 -7.874 -1.793 4.644 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.150 -3.559 2.524 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -4.761 -3.213 3.079 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -5.985 -4.236 1.149 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.673 -3.312 4.601 1.00 0.00 C ATOM 0 H ILE A 80 -5.795 -1.570 1.040 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.112 -2.770 2.375 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.623 -4.248 3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.024 -3.882 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.497 -2.201 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.303 -5.081 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.955 -4.588 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.580 -3.518 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.665 -3.054 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.386 -2.622 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.905 -4.330 4.913 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.392 -0.366 3.705 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.238 0.553 4.819 1.00 0.00 C ATOM 1278 C GLY A 81 -4.784 1.003 4.997 1.00 0.00 C ATOM 1279 O GLY A 81 -3.909 0.690 4.177 1.00 0.00 O ATOM 0 H GLY A 81 -5.860 -0.077 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.870 1.426 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.583 0.073 5.735 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.544 1.755 6.077 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.220 2.155 6.551 1.00 0.00 C ATOM 1285 C GLY A 82 -2.566 1.071 7.410 1.00 0.00 C ATOM 1286 O GLY A 82 -3.039 -0.062 7.426 1.00 0.00 O ATOM 0 H GLY A 82 -5.297 2.114 6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.580 2.375 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.305 3.074 7.130 1.00 0.00 H new ATOM 1290 N CYS A 83 -1.472 1.381 8.118 1.00 0.00 N ATOM 1291 CA CYS A 83 -0.733 0.413 8.921 1.00 0.00 C ATOM 1292 C CYS A 83 -1.579 -0.134 10.054 1.00 0.00 C ATOM 1293 O CYS A 83 -1.467 -1.316 10.375 1.00 0.00 O ATOM 1294 CB CYS A 83 0.558 1.025 9.488 1.00 0.00 C ATOM 1295 SG CYS A 83 1.851 -0.241 9.593 1.00 0.00 S ATOM 0 H CYS A 83 -1.076 2.321 8.146 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.469 -0.410 8.257 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.891 1.845 8.852 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.368 1.445 10.476 1.00 0.00 H new ATOM 0 HG CYS A 83 2.969 0.241 9.137 1.00 0.00 H new ATOM 1301 N SER A 84 -2.403 0.711 10.675 1.00 0.00 N ATOM 1302 CA SER A 84 -3.195 0.256 11.800 1.00 0.00 C ATOM 1303 C SER A 84 -4.203 -0.803 11.349 1.00 0.00 C ATOM 1304 O SER A 84 -4.404 -1.811 12.025 1.00 0.00 O ATOM 1305 CB SER A 84 -3.842 1.435 12.526 1.00 0.00 C ATOM 1306 OG SER A 84 -4.470 2.348 11.643 1.00 0.00 O ATOM 0 H SER A 84 -2.533 1.690 10.420 1.00 0.00 H new ATOM 0 HA SER A 84 -2.541 -0.224 12.528 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.579 1.058 13.236 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.082 1.961 13.104 1.00 0.00 H new ATOM 0 HG SER A 84 -4.868 3.080 12.158 1.00 0.00 H new ATOM 1312 N ASP A 85 -4.809 -0.602 10.181 1.00 0.00 N ATOM 1313 CA ASP A 85 -5.714 -1.553 9.548 1.00 0.00 C ATOM 1314 C ASP A 85 -4.927 -2.786 9.113 1.00 0.00 C ATOM 1315 O ASP A 85 -5.292 -3.906 9.462 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.392 -0.902 8.336 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.642 -0.090 8.674 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -7.900 0.214 9.855 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -8.358 0.279 7.712 1.00 0.00 O ATOM 0 H ASP A 85 -4.679 0.250 9.636 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.484 -1.851 10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.673 -0.250 7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.661 -1.681 7.623 1.00 0.00 H new ATOM 1324 N LEU A 86 -3.829 -2.587 8.376 1.00 0.00 N ATOM 1325 CA LEU A 86 -2.973 -3.637 7.827 1.00 0.00 C ATOM 1326 C LEU A 86 -2.542 -4.628 8.899 1.00 0.00 C ATOM 1327 O LEU A 86 -2.490 -5.824 8.622 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.730 -3.006 7.178 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.774 -4.021 6.522 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.393 -4.659 5.274 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.526 -3.302 6.160 1.00 0.00 C ATOM 0 H LEU A 86 -3.502 -1.651 8.138 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.549 -4.181 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.053 -2.288 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.183 -2.447 7.937 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.577 -4.827 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.688 -5.368 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.310 -5.180 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.622 -3.883 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.214 -4.007 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.312 -2.491 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.980 -2.895 7.063 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.244 -4.144 10.104 1.00 0.00 N ATOM 1344 CA VAL A 87 -1.913 -4.964 11.242 1.00 0.00 C ATOM 1345 C VAL A 87 -3.022 -5.991 11.481 1.00 0.00 C ATOM 1346 O VAL A 87 -2.674 -7.160 11.570 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.588 -4.031 12.426 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.827 -4.676 13.785 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.122 -3.570 12.343 1.00 0.00 C ATOM 0 H VAL A 87 -2.229 -3.145 10.309 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.020 -5.568 11.081 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.268 -3.183 12.344 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.579 -3.966 14.574 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.875 -4.963 13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.199 -5.561 13.883 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.100 -2.911 13.183 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.535 -4.439 12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.038 -3.033 11.408 1.00 0.00 H new ATOM 1359 N SER A 88 -4.318 -5.637 11.501 1.00 0.00 N ATOM 1360 CA SER A 88 -5.380 -6.635 11.688 1.00 0.00 C ATOM 1361 C SER A 88 -5.301 -7.642 10.560 1.00 0.00 C ATOM 1362 O SER A 88 -5.433 -8.838 10.799 1.00 0.00 O ATOM 1363 CB SER A 88 -6.790 -6.054 11.547 1.00 0.00 C ATOM 1364 OG SER A 88 -7.496 -6.080 12.768 1.00 0.00 O ATOM 0 H SER A 88 -4.651 -4.679 11.391 1.00 0.00 H new ATOM 0 HA SER A 88 -5.229 -7.043 12.687 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.725 -5.027 11.188 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.342 -6.620 10.797 1.00 0.00 H new ATOM 0 HG SER A 88 -8.390 -5.700 12.637 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.174 -7.162 9.319 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.211 -8.060 8.188 1.00 0.00 C ATOM 1372 C LEU A 89 -4.030 -9.036 8.281 1.00 0.00 C ATOM 1373 O LEU A 89 -4.190 -10.181 7.876 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.286 -7.303 6.850 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.653 -6.645 6.539 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -6.809 -5.243 7.125 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -6.861 -6.598 5.019 1.00 0.00 C ATOM 0 H LEU A 89 -5.048 -6.177 9.087 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.129 -8.647 8.220 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.519 -6.529 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.043 -7.996 6.045 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.413 -7.262 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.791 -4.847 6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.711 -5.289 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.036 -4.591 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.823 -6.135 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.063 -6.014 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.845 -7.611 4.618 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.882 -8.655 8.846 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.810 -9.595 9.147 1.00 0.00 C ATOM 1391 C GLN A 90 -2.224 -10.522 10.305 1.00 0.00 C ATOM 1392 O GLN A 90 -2.151 -11.742 10.154 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.501 -8.834 9.414 1.00 0.00 C ATOM 1394 CG GLN A 90 0.701 -9.783 9.593 1.00 0.00 C ATOM 1395 CD GLN A 90 1.159 -9.908 11.048 1.00 0.00 C ATOM 1396 OE1 GLN A 90 0.355 -9.985 11.967 1.00 0.00 O ATOM 1397 NE2 GLN A 90 2.456 -9.931 11.299 1.00 0.00 N ATOM 0 H GLN A 90 -2.674 -7.691 9.105 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.627 -10.239 8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.304 -8.153 8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.615 -8.222 10.309 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.435 -10.771 9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.533 -9.424 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.125 -9.867 10.532 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.788 -10.013 12.260 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.669 -9.974 11.441 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.915 -10.677 12.686 1.00 0.00 C ATOM 1408 C GLN A 91 -4.014 -11.730 12.525 1.00 0.00 C ATOM 1409 O GLN A 91 -3.806 -12.901 12.836 1.00 0.00 O ATOM 1410 CB GLN A 91 -3.291 -9.616 13.739 1.00 0.00 C ATOM 1411 CG GLN A 91 -2.397 -9.646 14.971 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.834 -10.734 15.936 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -3.701 -10.533 16.779 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -2.281 -11.929 15.821 1.00 0.00 N ATOM 0 H GLN A 91 -2.875 -8.977 11.511 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.025 -11.222 13.001 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.237 -8.627 13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.326 -9.769 14.046 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.363 -9.816 14.670 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.428 -8.678 15.471 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.560 -12.092 15.118 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.575 -12.688 16.435 1.00 0.00 H new ATOM 1423 N SER A 92 -5.172 -11.304 12.023 1.00 0.00 N ATOM 1424 CA SER A 92 -6.307 -12.126 11.634 1.00 0.00 C ATOM 1425 C SER A 92 -5.913 -13.046 10.473 1.00 0.00 C ATOM 1426 O SER A 92 -6.389 -14.178 10.377 1.00 0.00 O ATOM 1427 CB SER A 92 -7.433 -11.161 11.220 1.00 0.00 C ATOM 1428 OG SER A 92 -8.686 -11.792 11.069 1.00 0.00 O ATOM 0 H SER A 92 -5.349 -10.311 11.869 1.00 0.00 H new ATOM 0 HA SER A 92 -6.637 -12.765 12.453 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.519 -10.373 11.968 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.162 -10.680 10.280 1.00 0.00 H new ATOM 0 HG SER A 92 -9.357 -11.128 10.808 1.00 0.00 H new ATOM 1434 N GLY A 93 -5.029 -12.572 9.592 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.645 -13.256 8.374 1.00 0.00 C ATOM 1436 C GLY A 93 -5.538 -12.874 7.197 1.00 0.00 C ATOM 1437 O GLY A 93 -5.407 -13.502 6.145 1.00 0.00 O ATOM 0 H GLY A 93 -4.553 -11.678 9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.609 -13.017 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.695 -14.333 8.532 1.00 0.00 H new ATOM 1441 N GLU A 94 -6.404 -11.847 7.311 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.242 -11.426 6.188 1.00 0.00 C ATOM 1443 C GLU A 94 -6.381 -11.071 4.967 1.00 0.00 C ATOM 1444 O GLU A 94 -6.781 -11.272 3.820 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.040 -10.188 6.609 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.269 -9.917 5.730 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.470 -10.803 6.069 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -10.345 -11.770 6.854 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.579 -10.530 5.558 1.00 0.00 O ATOM 0 H GLU A 94 -6.535 -11.303 8.164 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.909 -12.245 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.364 -10.310 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.385 -9.317 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.558 -8.871 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.999 -10.069 4.685 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.175 -10.555 5.228 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.211 -10.107 4.241 1.00 0.00 C ATOM 1458 C LEU A 95 -3.864 -11.234 3.280 1.00 0.00 C ATOM 1459 O LEU A 95 -3.668 -10.968 2.101 1.00 0.00 O ATOM 1460 CB LEU A 95 -2.942 -9.602 4.960 1.00 0.00 C ATOM 1461 CG LEU A 95 -1.978 -8.749 4.120 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -2.681 -7.562 3.441 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -0.877 -8.227 5.056 1.00 0.00 C ATOM 0 H LEU A 95 -4.837 -10.437 6.183 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.646 -9.293 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.250 -9.017 5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.395 -10.466 5.336 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.568 -9.370 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.955 -6.993 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.464 -7.933 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.123 -6.918 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.175 -7.616 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.326 -7.624 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.347 -9.070 5.500 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.793 -12.477 3.765 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.428 -13.624 2.949 1.00 0.00 C ATOM 1477 C LEU A 96 -4.508 -13.883 1.911 1.00 0.00 C ATOM 1478 O LEU A 96 -4.191 -13.987 0.729 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.169 -14.871 3.795 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.815 -14.778 4.523 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -1.938 -14.144 5.915 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.208 -16.171 4.630 1.00 0.00 C ATOM 0 H LEU A 96 -3.989 -12.710 4.739 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.493 -13.391 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.970 -14.992 4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.182 -15.755 3.158 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.165 -14.127 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.955 -14.103 6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.338 -13.134 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.609 -14.744 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.249 -16.111 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.881 -16.819 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.059 -16.581 3.631 1.00 0.00 H new ATOM 1494 N THR A 97 -5.769 -13.961 2.331 1.00 0.00 N ATOM 1495 CA THR A 97 -6.911 -14.139 1.444 1.00 0.00 C ATOM 1496 C THR A 97 -6.987 -12.965 0.465 1.00 0.00 C ATOM 1497 O THR A 97 -7.055 -13.180 -0.746 1.00 0.00 O ATOM 1498 CB THR A 97 -8.185 -14.259 2.302 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.951 -15.150 3.377 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.382 -14.772 1.497 1.00 0.00 C ATOM 0 H THR A 97 -6.028 -13.901 3.316 1.00 0.00 H new ATOM 0 HA THR A 97 -6.807 -15.049 0.854 1.00 0.00 H new ATOM 0 HB THR A 97 -8.422 -13.260 2.667 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.762 -15.224 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.255 -14.839 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.591 -14.084 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.153 -15.758 1.093 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.908 -11.727 0.972 1.00 0.00 N ATOM 1509 CA ARG A 98 -6.894 -10.506 0.171 1.00 0.00 C ATOM 1510 C ARG A 98 -5.837 -10.604 -0.929 1.00 0.00 C ATOM 1511 O ARG A 98 -6.118 -10.332 -2.089 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.667 -9.298 1.087 1.00 0.00 C ATOM 1513 CG ARG A 98 -6.936 -7.996 0.317 1.00 0.00 C ATOM 1514 CD ARG A 98 -7.977 -7.107 0.980 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.303 -7.754 1.086 1.00 0.00 N ATOM 1516 CZ ARG A 98 -10.115 -7.725 2.154 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -9.898 -6.853 3.133 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -11.141 -8.562 2.242 1.00 0.00 N ATOM 0 H ARG A 98 -6.851 -11.548 1.975 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.857 -10.376 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.325 -9.360 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.644 -9.303 1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.003 -7.441 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.268 -8.241 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.631 -6.833 1.977 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.074 -6.183 0.411 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.631 -8.271 0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.113 -6.204 3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.516 -6.832 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.317 -9.234 1.495 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.754 -8.534 3.057 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.613 -10.991 -0.580 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.525 -11.146 -1.529 1.00 0.00 C ATOM 1534 C LEU A 99 -3.778 -12.297 -2.497 1.00 0.00 C ATOM 1535 O LEU A 99 -3.536 -12.152 -3.693 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.227 -11.357 -0.737 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.646 -10.047 -0.193 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.645 -10.381 0.906 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.950 -9.263 -1.310 1.00 0.00 C ATOM 0 H LEU A 99 -4.350 -11.207 0.382 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.445 -10.247 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.419 -12.037 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.489 -11.838 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.451 -9.429 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.221 -9.459 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.150 -10.924 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.153 -10.999 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.544 -8.336 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.141 -9.863 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.670 -9.031 -2.095 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.225 -13.464 -2.038 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.429 -14.590 -2.945 1.00 0.00 C ATOM 1553 C LYS A 100 -5.580 -14.365 -3.917 1.00 0.00 C ATOM 1554 O LYS A 100 -5.520 -14.904 -5.022 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.589 -15.899 -2.170 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.269 -16.681 -2.255 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.513 -18.128 -1.792 1.00 0.00 C ATOM 1558 CE LYS A 100 -2.282 -19.043 -1.778 1.00 0.00 C ATOM 1559 NZ LYS A 100 -1.724 -19.331 -3.116 1.00 0.00 N ATOM 0 H LYS A 100 -4.449 -13.653 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.530 -14.669 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.842 -15.695 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.406 -16.488 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.891 -16.672 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.511 -16.209 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.933 -18.101 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.266 -18.575 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.507 -18.581 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.549 -19.985 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.208 -20.234 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.497 -19.394 -3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.073 -18.568 -3.392 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.548 -13.515 -3.581 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.553 -13.034 -4.519 1.00 0.00 C ATOM 1575 C GLN A 101 -6.880 -12.468 -5.778 1.00 0.00 C ATOM 1576 O GLN A 101 -7.346 -12.719 -6.892 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.402 -11.965 -3.818 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.641 -11.518 -4.593 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.794 -12.511 -4.503 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -10.700 -13.636 -4.978 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -11.895 -12.126 -3.880 1.00 0.00 N ATOM 0 H GLN A 101 -6.655 -13.138 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.196 -13.856 -4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.717 -12.350 -2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.777 -11.093 -3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.971 -10.552 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.375 -11.374 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.958 -11.186 -3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.681 -12.769 -3.790 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.757 -11.756 -5.624 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.034 -11.125 -6.726 1.00 0.00 C ATOM 1592 C ILE A 102 -3.905 -12.026 -7.264 1.00 0.00 C ATOM 1593 O ILE A 102 -3.059 -11.564 -8.029 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.595 -9.689 -6.337 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.310 -9.580 -5.498 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.673 -8.965 -5.529 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.265 -8.703 -6.177 1.00 0.00 C ATOM 0 H ILE A 102 -5.321 -11.602 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.708 -11.008 -7.575 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.414 -9.237 -7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.549 -9.168 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.898 -10.575 -5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.327 -7.963 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.586 -8.895 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.876 -9.520 -4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.373 -8.651 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.006 -9.130 -7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.668 -7.700 -6.318 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.855 -13.299 -6.856 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.892 -14.274 -7.358 1.00 0.00 C ATOM 1611 C GLY A 103 -1.492 -14.102 -6.779 1.00 0.00 C ATOM 1612 O GLY A 103 -0.528 -14.577 -7.376 1.00 0.00 O ATOM 0 H GLY A 103 -4.493 -13.682 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.250 -15.278 -7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.839 -14.195 -8.444 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.355 -13.428 -5.635 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.083 -13.080 -5.035 1.00 0.00 C ATOM 1618 C ALA A 104 0.609 -14.318 -4.533 1.00 0.00 C ATOM 1619 O ALA A 104 1.694 -14.614 -5.006 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.388 -12.184 -3.840 1.00 0.00 C ATOM 0 H ALA A 104 -2.155 -13.104 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 104 0.559 -12.587 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.544 -11.895 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.912 -11.291 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.015 -12.725 -3.130 1.00 0.00 H new ATOM 1626 N LEU A 105 0.072 -14.967 -3.502 1.00 0.00 N ATOM 1627 CA LEU A 105 0.891 -15.901 -2.791 1.00 0.00 C ATOM 1628 C LEU A 105 1.087 -17.113 -3.682 1.00 0.00 C ATOM 1629 O LEU A 105 0.145 -17.570 -4.342 1.00 0.00 O ATOM 1630 CB LEU A 105 0.310 -16.255 -1.442 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.207 -15.119 -0.538 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -0.732 -15.699 0.777 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.893 -14.100 -0.232 1.00 0.00 C ATOM 0 H LEU A 105 -0.884 -14.861 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 105 1.860 -15.455 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.516 -16.946 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.073 -16.799 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.010 -14.611 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.096 -14.891 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.547 -16.392 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.072 -16.228 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.493 -13.313 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.718 -14.597 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.253 -13.662 -1.163 1.00 0.00 H new ATOM 1645 N GLN A 106 2.334 -17.539 -3.744 1.00 0.00 N ATOM 1646 CA GLN A 106 2.884 -18.342 -4.818 1.00 0.00 C ATOM 1647 C GLN A 106 2.664 -19.806 -4.491 1.00 0.00 C ATOM 1648 O GLN A 106 3.285 -20.294 -3.522 1.00 0.00 O ATOM 1649 CB GLN A 106 4.361 -17.961 -4.992 1.00 0.00 C ATOM 1650 CG GLN A 106 5.013 -18.627 -6.208 1.00 0.00 C ATOM 1651 CD GLN A 106 6.498 -18.278 -6.260 1.00 0.00 C ATOM 1652 OE1 GLN A 106 6.919 -17.347 -6.949 1.00 0.00 O ATOM 1653 NE2 GLN A 106 7.317 -18.974 -5.493 1.00 0.00 N ATOM 1654 OXT GLN A 106 1.838 -20.432 -5.183 1.00 0.00 O ATOM 0 H GLN A 106 3.018 -17.326 -3.018 1.00 0.00 H new ATOM 0 HA GLN A 106 2.389 -18.157 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.442 -16.879 -5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.911 -18.241 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.887 -19.708 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.521 -18.295 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.956 -19.742 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 106 8.310 -18.743 -5.466 1.00 0.00 H new TER 1663 GLN A 106