USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 557 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 15 TYR OH : rot 160:sc= -1.8! USER MOD Set 1.2: A 37 MET CE :methyl -150:sc= -0.053 (180deg=-0.983) USER MOD Set 2.1: A 34 SER OG : rot 74:sc= 1.66 USER MOD Set 2.2: A 43 TYR OH : rot 165:sc= 0.869 USER MOD Set 3.1: A 29 ASN : amide:sc= -0.256 K(o=-0.24,f=-3.3!) USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0.0182 USER MOD Set 4.1: A 26 HIS : no HD1:sc= -9.01! C(o=-8.8!,f=-9.2!) USER MOD Set 4.2: A 27 ASN : amide:sc= 0.25 X(o=-8.8,f=-8.9) USER MOD Set 5.1: A 7 GLN : amide:sc= -2.06! C(o=-2.1!,f=-7.1!) USER MOD Set 5.2: A 10 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 1.2 (180deg=1.01) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.0512 (180deg=-0.217) USER MOD Single : A 20 SER OG : rot 16:sc= -0.0831 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.649 K(o=-0.65,f=-1.9) USER MOD Single : A 40 SER OG : rot 140:sc= -0.0228 USER MOD Single : A 44 GLN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0843 USER MOD Single : A 53 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.41) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= 1.14 (180deg=1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 62 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-4.7!) USER MOD Single : A 64 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-5.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -20.396 5.362 1.264 1.00 0.00 N ATOM 2 CA SER A 5 -18.996 5.244 0.865 1.00 0.00 C ATOM 3 C SER A 5 -18.125 4.719 2.005 1.00 0.00 C ATOM 4 O SER A 5 -17.562 5.486 2.792 1.00 0.00 O ATOM 5 CB SER A 5 -18.443 6.580 0.354 1.00 0.00 C ATOM 6 OG SER A 5 -17.091 6.442 -0.055 1.00 0.00 O ATOM 0 HA SER A 5 -18.963 4.521 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.047 6.933 -0.482 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.515 7.333 1.139 1.00 0.00 H new ATOM 0 HG SER A 5 -16.758 7.305 -0.379 1.00 0.00 H new ATOM 12 N GLN A 6 -18.019 3.405 2.092 1.00 0.00 N ATOM 13 CA GLN A 6 -17.124 2.777 3.038 1.00 0.00 C ATOM 14 C GLN A 6 -16.237 1.776 2.315 1.00 0.00 C ATOM 15 O GLN A 6 -16.677 1.133 1.362 1.00 0.00 O ATOM 16 CB GLN A 6 -17.918 2.104 4.157 1.00 0.00 C ATOM 17 CG GLN A 6 -19.070 1.243 3.666 1.00 0.00 C ATOM 18 CD GLN A 6 -19.795 0.547 4.799 1.00 0.00 C ATOM 19 OE1 GLN A 6 -19.438 -0.568 5.183 1.00 0.00 O ATOM 20 NE2 GLN A 6 -20.814 1.194 5.343 1.00 0.00 N ATOM 0 H GLN A 6 -18.547 2.751 1.513 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.489 3.537 3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -17.242 1.486 4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -18.310 2.872 4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -19.775 1.865 3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -18.690 0.496 2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.077 2.116 4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.336 0.770 6.110 1.00 0.00 H new ATOM 29 N GLN A 7 -14.984 1.691 2.756 1.00 0.00 N ATOM 30 CA GLN A 7 -13.953 0.854 2.131 1.00 0.00 C ATOM 31 C GLN A 7 -13.465 1.460 0.816 1.00 0.00 C ATOM 32 O GLN A 7 -12.307 1.292 0.441 1.00 0.00 O ATOM 33 CB GLN A 7 -14.428 -0.577 1.911 1.00 0.00 C ATOM 34 CG GLN A 7 -13.288 -1.540 1.717 1.00 0.00 C ATOM 35 CD GLN A 7 -12.459 -1.749 2.972 1.00 0.00 C ATOM 36 OE1 GLN A 7 -12.400 -0.892 3.855 1.00 0.00 O ATOM 37 NE2 GLN A 7 -11.767 -2.870 3.036 1.00 0.00 N ATOM 0 H GLN A 7 -14.648 2.207 3.569 1.00 0.00 H new ATOM 0 HA GLN A 7 -13.116 0.821 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.025 -0.894 2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.080 -0.610 1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.685 -2.500 1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.642 -1.172 0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.840 -3.558 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.159 -3.049 3.835 1.00 0.00 H new ATOM 46 N ILE A 8 -14.350 2.181 0.138 1.00 0.00 N ATOM 47 CA ILE A 8 -14.027 2.844 -1.121 1.00 0.00 C ATOM 48 C ILE A 8 -12.794 3.726 -0.981 1.00 0.00 C ATOM 49 O ILE A 8 -11.967 3.816 -1.889 1.00 0.00 O ATOM 50 CB ILE A 8 -15.219 3.693 -1.620 1.00 0.00 C ATOM 51 CG1 ILE A 8 -16.432 2.810 -1.861 1.00 0.00 C ATOM 52 CG2 ILE A 8 -14.854 4.466 -2.880 1.00 0.00 C ATOM 53 CD1 ILE A 8 -17.654 3.559 -2.349 1.00 0.00 C ATOM 0 H ILE A 8 -15.312 2.323 0.445 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.816 2.064 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 8 -15.467 4.419 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.172 2.045 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.682 2.293 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -15.712 5.054 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.017 5.132 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.572 3.767 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.475 2.858 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -17.943 4.306 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.425 4.053 -3.293 1.00 0.00 H new ATOM 65 N ALA A 9 -12.674 4.356 0.168 1.00 0.00 N ATOM 66 CA ALA A 9 -11.548 5.238 0.436 1.00 0.00 C ATOM 67 C ALA A 9 -10.655 4.677 1.530 1.00 0.00 C ATOM 68 O ALA A 9 -9.428 4.759 1.460 1.00 0.00 O ATOM 69 CB ALA A 9 -12.040 6.626 0.819 1.00 0.00 C ATOM 0 H ALA A 9 -13.341 4.276 0.935 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.957 5.311 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.186 7.273 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.629 7.042 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.658 6.559 1.714 1.00 0.00 H new ATOM 75 N THR A 10 -11.285 4.080 2.522 1.00 0.00 N ATOM 76 CA THR A 10 -10.595 3.616 3.709 1.00 0.00 C ATOM 77 C THR A 10 -9.713 2.400 3.449 1.00 0.00 C ATOM 78 O THR A 10 -8.729 2.201 4.154 1.00 0.00 O ATOM 79 CB THR A 10 -11.590 3.314 4.831 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.739 2.642 4.299 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.013 4.601 5.519 1.00 0.00 C ATOM 0 H THR A 10 -12.289 3.903 2.528 1.00 0.00 H new ATOM 0 HA THR A 10 -9.936 4.428 4.017 1.00 0.00 H new ATOM 0 HB THR A 10 -11.107 2.667 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.371 2.451 5.023 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.721 4.372 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.137 5.092 5.943 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.485 5.263 4.793 1.00 0.00 H new ATOM 89 N ALA A 11 -10.043 1.591 2.446 1.00 0.00 N ATOM 90 CA ALA A 11 -9.182 0.468 2.095 1.00 0.00 C ATOM 91 C ALA A 11 -7.849 0.988 1.595 1.00 0.00 C ATOM 92 O ALA A 11 -6.796 0.517 2.012 1.00 0.00 O ATOM 93 CB ALA A 11 -9.822 -0.428 1.049 1.00 0.00 C ATOM 0 H ALA A 11 -10.882 1.688 1.874 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.029 -0.134 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.149 -1.253 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.761 -0.825 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.016 0.149 0.145 1.00 0.00 H new ATOM 99 N LYS A 12 -7.905 1.983 0.714 1.00 0.00 N ATOM 100 CA LYS A 12 -6.699 2.607 0.206 1.00 0.00 C ATOM 101 C LYS A 12 -5.970 3.313 1.332 1.00 0.00 C ATOM 102 O LYS A 12 -4.810 3.044 1.574 1.00 0.00 O ATOM 103 CB LYS A 12 -7.009 3.599 -0.917 1.00 0.00 C ATOM 104 CG LYS A 12 -5.754 4.219 -1.512 1.00 0.00 C ATOM 105 CD LYS A 12 -6.033 4.959 -2.808 1.00 0.00 C ATOM 106 CE LYS A 12 -4.754 5.547 -3.383 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.297 6.744 -2.631 1.00 0.00 N ATOM 0 H LYS A 12 -8.772 2.370 0.341 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.064 1.823 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.566 3.090 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.653 4.390 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.315 4.908 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.017 3.437 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.482 4.278 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.756 5.755 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.970 4.790 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.917 5.816 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.677 7.319 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.121 7.309 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.772 6.443 -1.785 1.00 0.00 H new ATOM 121 N ASP A 13 -6.676 4.197 2.024 1.00 0.00 N ATOM 122 CA ASP A 13 -6.121 4.941 3.160 1.00 0.00 C ATOM 123 C ASP A 13 -5.441 4.020 4.173 1.00 0.00 C ATOM 124 O ASP A 13 -4.334 4.303 4.641 1.00 0.00 O ATOM 125 CB ASP A 13 -7.249 5.720 3.850 1.00 0.00 C ATOM 126 CG ASP A 13 -6.802 6.375 5.142 1.00 0.00 C ATOM 127 OD1 ASP A 13 -6.239 7.487 5.084 1.00 0.00 O ATOM 128 OD2 ASP A 13 -7.017 5.784 6.222 1.00 0.00 O ATOM 0 H ASP A 13 -7.649 4.423 1.818 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.363 5.624 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.625 6.485 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.078 5.043 4.058 1.00 0.00 H new ATOM 133 N LYS A 14 -6.091 2.923 4.515 1.00 0.00 N ATOM 134 CA LYS A 14 -5.549 2.021 5.484 1.00 0.00 C ATOM 135 C LYS A 14 -4.403 1.219 4.879 1.00 0.00 C ATOM 136 O LYS A 14 -3.392 0.996 5.535 1.00 0.00 O ATOM 137 CB LYS A 14 -6.649 1.120 6.006 1.00 0.00 C ATOM 138 CG LYS A 14 -6.285 0.472 7.311 1.00 0.00 C ATOM 139 CD LYS A 14 -7.484 -0.193 7.960 1.00 0.00 C ATOM 140 CE LYS A 14 -8.585 0.810 8.287 1.00 0.00 C ATOM 141 NZ LYS A 14 -8.091 1.945 9.122 1.00 0.00 N ATOM 0 H LYS A 14 -6.994 2.645 4.130 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.143 2.585 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.562 1.702 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.864 0.348 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.504 -0.269 7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.874 1.221 7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.878 -0.960 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.169 -0.696 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.004 1.200 7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.393 0.300 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.901 2.486 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.536 1.574 9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.492 2.567 8.543 1.00 0.00 H new ATOM 155 N TYR A 15 -4.556 0.809 3.620 1.00 0.00 N ATOM 156 CA TYR A 15 -3.457 0.194 2.875 1.00 0.00 C ATOM 157 C TYR A 15 -2.270 1.130 2.858 1.00 0.00 C ATOM 158 O TYR A 15 -1.118 0.716 2.968 1.00 0.00 O ATOM 159 CB TYR A 15 -3.857 -0.094 1.427 1.00 0.00 C ATOM 160 CG TYR A 15 -2.698 -0.583 0.587 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.407 -1.938 0.537 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.880 0.298 -0.136 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.342 -2.413 -0.195 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.817 -0.180 -0.877 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.553 -1.533 -0.901 1.00 0.00 C ATOM 166 OH TYR A 15 0.510 -2.006 -1.626 1.00 0.00 O ATOM 0 H TYR A 15 -5.427 0.891 3.096 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.206 -0.744 3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.650 -0.842 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.267 0.812 0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.027 -2.634 1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.083 1.358 -0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.127 -3.471 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.195 0.504 -1.436 1.00 0.00 H new ATOM 0 HH TYR A 15 0.770 -1.341 -2.297 1.00 0.00 H new ATOM 176 N GLU A 16 -2.578 2.397 2.683 1.00 0.00 N ATOM 177 CA GLU A 16 -1.589 3.433 2.669 1.00 0.00 C ATOM 178 C GLU A 16 -0.835 3.466 3.993 1.00 0.00 C ATOM 179 O GLU A 16 0.368 3.780 4.025 1.00 0.00 O ATOM 180 CB GLU A 16 -2.258 4.761 2.350 1.00 0.00 C ATOM 181 CG GLU A 16 -2.642 4.912 0.892 1.00 0.00 C ATOM 182 CD GLU A 16 -2.239 6.256 0.326 1.00 0.00 C ATOM 183 OE1 GLU A 16 -1.066 6.662 0.518 1.00 0.00 O ATOM 184 OE2 GLU A 16 -3.091 6.916 -0.306 1.00 0.00 O ATOM 0 H GLU A 16 -3.532 2.731 2.546 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.851 3.234 1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.152 4.865 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.585 5.573 2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.170 4.120 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.720 4.785 0.788 1.00 0.00 H new ATOM 191 N TRP A 17 -1.506 3.107 5.091 1.00 0.00 N ATOM 192 CA TRP A 17 -0.782 2.882 6.314 1.00 0.00 C ATOM 193 C TRP A 17 0.008 1.616 6.191 1.00 0.00 C ATOM 194 O TRP A 17 1.157 1.614 6.531 1.00 0.00 O ATOM 195 CB TRP A 17 -1.658 2.771 7.545 1.00 0.00 C ATOM 196 CG TRP A 17 -0.981 2.038 8.660 1.00 0.00 C ATOM 197 CD1 TRP A 17 0.160 2.361 9.286 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.401 0.825 9.226 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.451 1.438 10.256 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.516 0.488 10.246 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.461 0.027 8.970 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -0.681 -0.647 11.019 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -2.640 -1.116 9.723 1.00 0.00 C ATOM 204 CH2 TRP A 17 -1.752 -1.430 10.752 1.00 0.00 C ATOM 0 H TRP A 17 -2.516 2.973 5.146 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.147 3.757 6.451 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.933 3.770 7.884 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.583 2.257 7.285 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.764 3.227 9.058 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.258 1.462 10.879 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.159 0.280 8.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.017 -0.898 11.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.473 -1.771 9.514 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.923 -2.315 11.347 1.00 0.00 H new ATOM 215 N LEU A 18 -0.612 0.542 5.718 1.00 0.00 N ATOM 216 CA LEU A 18 0.070 -0.748 5.633 1.00 0.00 C ATOM 217 C LEU A 18 1.446 -0.563 4.997 1.00 0.00 C ATOM 218 O LEU A 18 2.441 -1.123 5.452 1.00 0.00 O ATOM 219 CB LEU A 18 -0.739 -1.763 4.787 1.00 0.00 C ATOM 220 CG LEU A 18 -1.814 -2.593 5.504 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.170 -3.703 6.318 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.662 -1.717 6.394 1.00 0.00 C ATOM 0 H LEU A 18 -1.578 0.535 5.389 1.00 0.00 H new ATOM 0 HA LEU A 18 0.168 -1.138 6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.222 -1.215 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.033 -2.454 4.327 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.459 -3.041 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.945 -4.282 6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.600 -4.356 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.502 -3.268 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.417 -2.326 6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.030 -1.239 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.152 -0.953 5.791 1.00 0.00 H new ATOM 234 N VAL A 19 1.481 0.245 3.946 1.00 0.00 N ATOM 235 CA VAL A 19 2.738 0.637 3.321 1.00 0.00 C ATOM 236 C VAL A 19 3.648 1.376 4.302 1.00 0.00 C ATOM 237 O VAL A 19 4.790 0.988 4.467 1.00 0.00 O ATOM 238 CB VAL A 19 2.517 1.494 2.054 1.00 0.00 C ATOM 239 CG1 VAL A 19 3.812 2.138 1.593 1.00 0.00 C ATOM 240 CG2 VAL A 19 1.969 0.637 0.939 1.00 0.00 C ATOM 0 H VAL A 19 0.651 0.643 3.507 1.00 0.00 H new ATOM 0 HA VAL A 19 3.231 -0.287 3.020 1.00 0.00 H new ATOM 0 HB VAL A 19 1.804 2.280 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.624 2.734 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.200 2.781 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.543 1.362 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.817 1.250 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.676 -0.161 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.018 0.203 1.248 1.00 0.00 H new ATOM 250 N SER A 20 3.161 2.426 4.961 1.00 0.00 N ATOM 251 CA SER A 20 3.989 3.137 5.950 1.00 0.00 C ATOM 252 C SER A 20 4.313 2.238 7.149 1.00 0.00 C ATOM 253 O SER A 20 5.322 2.414 7.832 1.00 0.00 O ATOM 254 CB SER A 20 3.288 4.413 6.421 1.00 0.00 C ATOM 255 OG SER A 20 1.963 4.153 6.848 1.00 0.00 O ATOM 0 H SER A 20 2.221 2.801 4.837 1.00 0.00 H new ATOM 0 HA SER A 20 4.926 3.410 5.465 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.854 4.859 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.273 5.141 5.610 1.00 0.00 H new ATOM 0 HG SER A 20 1.851 3.191 7.001 1.00 0.00 H new ATOM 261 N ARG A 21 3.437 1.275 7.372 1.00 0.00 N ATOM 262 CA ARG A 21 3.529 0.337 8.450 1.00 0.00 C ATOM 263 C ARG A 21 4.711 -0.601 8.234 1.00 0.00 C ATOM 264 O ARG A 21 5.416 -0.974 9.175 1.00 0.00 O ATOM 265 CB ARG A 21 2.195 -0.436 8.564 1.00 0.00 C ATOM 266 CG ARG A 21 2.426 -1.865 8.897 1.00 0.00 C ATOM 267 CD ARG A 21 1.163 -2.634 9.220 1.00 0.00 C ATOM 268 NE ARG A 21 1.451 -4.053 9.427 1.00 0.00 N ATOM 269 CZ ARG A 21 0.531 -4.998 9.596 1.00 0.00 C ATOM 270 NH1 ARG A 21 -0.759 -4.691 9.592 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.905 -6.257 9.776 1.00 0.00 N ATOM 0 H ARG A 21 2.618 1.129 6.781 1.00 0.00 H new ATOM 0 HA ARG A 21 3.702 0.863 9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.571 0.022 9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.649 -0.363 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.928 -2.347 8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.103 -1.924 9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.699 -2.219 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.446 -2.520 8.407 1.00 0.00 H new ATOM 0 HE ARG A 21 2.430 -4.339 9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.053 -3.723 9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.458 -5.423 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.896 -6.498 9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.202 -6.984 9.906 1.00 0.00 H new ATOM 285 N ILE A 22 4.920 -0.949 6.987 1.00 0.00 N ATOM 286 CA ILE A 22 6.008 -1.835 6.592 1.00 0.00 C ATOM 287 C ILE A 22 7.188 -1.018 6.072 1.00 0.00 C ATOM 288 O ILE A 22 8.272 -1.004 6.660 1.00 0.00 O ATOM 289 CB ILE A 22 5.568 -2.820 5.496 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.303 -3.560 5.914 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.679 -3.812 5.202 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.469 -4.428 7.137 1.00 0.00 C ATOM 0 H ILE A 22 4.343 -0.629 6.209 1.00 0.00 H new ATOM 0 HA ILE A 22 6.301 -2.402 7.475 1.00 0.00 H new ATOM 0 HB ILE A 22 5.354 -2.251 4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.515 -2.831 6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.968 -4.182 5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.353 -4.503 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.565 -3.276 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.917 -4.371 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.523 -4.918 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.232 -5.183 6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.772 -3.811 7.983 1.00 0.00 H new ATOM 304 N VAL A 23 6.943 -0.336 4.965 1.00 0.00 N ATOM 305 CA VAL A 23 7.918 0.505 4.301 1.00 0.00 C ATOM 306 C VAL A 23 8.195 1.779 5.100 1.00 0.00 C ATOM 307 O VAL A 23 7.403 2.724 5.082 1.00 0.00 O ATOM 308 CB VAL A 23 7.378 0.872 2.911 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.365 1.737 2.159 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.052 -0.388 2.125 1.00 0.00 C ATOM 0 H VAL A 23 6.038 -0.354 4.494 1.00 0.00 H new ATOM 0 HA VAL A 23 8.857 -0.042 4.217 1.00 0.00 H new ATOM 0 HB VAL A 23 6.461 1.448 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.959 1.983 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.544 2.655 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.304 1.197 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.670 -0.115 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.954 -0.989 2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.298 -0.965 2.660 1.00 0.00 H new ATOM 320 N LYS A 24 9.331 1.804 5.784 1.00 0.00 N ATOM 321 CA LYS A 24 9.671 2.911 6.665 1.00 0.00 C ATOM 322 C LYS A 24 10.769 3.794 6.096 1.00 0.00 C ATOM 323 O LYS A 24 10.660 5.014 6.118 1.00 0.00 O ATOM 324 CB LYS A 24 10.104 2.385 8.012 1.00 0.00 C ATOM 325 CG LYS A 24 10.314 3.476 9.009 1.00 0.00 C ATOM 326 CD LYS A 24 9.014 3.923 9.576 1.00 0.00 C ATOM 327 CE LYS A 24 9.229 4.729 10.832 1.00 0.00 C ATOM 328 NZ LYS A 24 7.957 4.975 11.562 1.00 0.00 N ATOM 0 H LYS A 24 10.035 1.067 5.745 1.00 0.00 H new ATOM 0 HA LYS A 24 8.774 3.522 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.350 1.693 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.028 1.818 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.965 3.124 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.819 4.318 8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.478 4.523 8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.391 3.056 9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.926 4.203 11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.690 5.683 10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.150 5.532 12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.301 5.499 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.529 4.066 11.830 1.00 0.00 H new ATOM 342 N ASN A 25 11.850 3.189 5.627 1.00 0.00 N ATOM 343 CA ASN A 25 12.963 3.966 5.094 1.00 0.00 C ATOM 344 C ASN A 25 13.047 3.856 3.586 1.00 0.00 C ATOM 345 O ASN A 25 14.091 4.125 2.998 1.00 0.00 O ATOM 346 CB ASN A 25 14.276 3.528 5.717 1.00 0.00 C ATOM 347 CG ASN A 25 14.353 3.807 7.199 1.00 0.00 C ATOM 348 OD1 ASN A 25 13.966 2.975 8.021 1.00 0.00 O ATOM 349 ND2 ASN A 25 14.863 4.971 7.551 1.00 0.00 N ATOM 0 H ASN A 25 11.982 2.178 5.603 1.00 0.00 H new ATOM 0 HA ASN A 25 12.779 5.009 5.351 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.413 2.460 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 25 15.097 4.039 5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.950 5.212 8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.171 5.630 6.836 1.00 0.00 H new ATOM 356 N HIS A 26 11.933 3.441 2.988 1.00 0.00 N ATOM 357 CA HIS A 26 11.754 3.327 1.531 1.00 0.00 C ATOM 358 C HIS A 26 12.731 2.355 0.863 1.00 0.00 C ATOM 359 O HIS A 26 12.582 2.037 -0.313 1.00 0.00 O ATOM 360 CB HIS A 26 11.814 4.708 0.846 1.00 0.00 C ATOM 361 CG HIS A 26 13.184 5.269 0.570 1.00 0.00 C ATOM 362 ND1 HIS A 26 13.514 6.548 0.902 1.00 0.00 N ATOM 363 CD2 HIS A 26 14.301 4.733 0.009 1.00 0.00 C ATOM 364 CE1 HIS A 26 14.769 6.783 0.580 1.00 0.00 C ATOM 365 NE2 HIS A 26 15.274 5.698 0.034 1.00 0.00 N ATOM 0 H HIS A 26 11.103 3.165 3.513 1.00 0.00 H new ATOM 0 HA HIS A 26 10.758 2.905 1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.277 4.642 -0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.274 5.421 1.470 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.403 3.732 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.296 7.712 0.738 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.228 5.593 -0.312 1.00 0.00 H new ATOM 374 N ASN A 27 13.719 1.894 1.605 1.00 0.00 N ATOM 375 CA ASN A 27 14.778 1.056 1.061 1.00 0.00 C ATOM 376 C ASN A 27 14.343 -0.393 1.042 1.00 0.00 C ATOM 377 O ASN A 27 15.115 -1.313 1.323 1.00 0.00 O ATOM 378 CB ASN A 27 16.037 1.245 1.890 1.00 0.00 C ATOM 379 CG ASN A 27 16.967 2.267 1.299 1.00 0.00 C ATOM 380 OD1 ASN A 27 17.860 1.922 0.530 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.768 3.530 1.613 1.00 0.00 N ATOM 0 H ASN A 27 13.813 2.088 2.602 1.00 0.00 H new ATOM 0 HA ASN A 27 14.989 1.348 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.761 1.550 2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.558 0.291 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.365 4.255 1.214 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.017 3.784 2.255 1.00 0.00 H new ATOM 388 N GLU A 28 13.091 -0.565 0.698 1.00 0.00 N ATOM 389 CA GLU A 28 12.453 -1.859 0.681 1.00 0.00 C ATOM 390 C GLU A 28 12.455 -2.423 -0.733 1.00 0.00 C ATOM 391 O GLU A 28 13.108 -1.891 -1.634 1.00 0.00 O ATOM 392 CB GLU A 28 11.007 -1.727 1.152 1.00 0.00 C ATOM 393 CG GLU A 28 10.788 -0.688 2.237 1.00 0.00 C ATOM 394 CD GLU A 28 11.630 -0.903 3.474 1.00 0.00 C ATOM 395 OE1 GLU A 28 11.386 -1.889 4.201 1.00 0.00 O ATOM 396 OE2 GLU A 28 12.512 -0.063 3.746 1.00 0.00 O ATOM 0 H GLU A 28 12.477 0.200 0.418 1.00 0.00 H new ATOM 0 HA GLU A 28 13.002 -2.527 1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.381 -1.476 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.669 -2.695 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.005 0.299 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.736 -0.691 2.521 1.00 0.00 H new ATOM 403 N ASN A 29 11.714 -3.498 -0.915 1.00 0.00 N ATOM 404 CA ASN A 29 11.468 -4.054 -2.232 1.00 0.00 C ATOM 405 C ASN A 29 10.017 -4.483 -2.321 1.00 0.00 C ATOM 406 O ASN A 29 9.602 -5.362 -1.571 1.00 0.00 O ATOM 407 CB ASN A 29 12.372 -5.253 -2.509 1.00 0.00 C ATOM 408 CG ASN A 29 12.095 -5.872 -3.866 1.00 0.00 C ATOM 409 OD1 ASN A 29 11.260 -6.771 -3.994 1.00 0.00 O ATOM 410 ND2 ASN A 29 12.786 -5.393 -4.886 1.00 0.00 N ATOM 0 H ASN A 29 11.266 -4.011 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 29 11.686 -3.289 -2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.415 -4.940 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.227 -6.003 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.638 -5.768 -5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.467 -4.649 -4.736 1.00 0.00 H new ATOM 417 N TRP A 30 9.257 -3.846 -3.213 1.00 0.00 N ATOM 418 CA TRP A 30 7.803 -4.036 -3.308 1.00 0.00 C ATOM 419 C TRP A 30 7.371 -5.486 -3.148 1.00 0.00 C ATOM 420 O TRP A 30 6.480 -5.789 -2.356 1.00 0.00 O ATOM 421 CB TRP A 30 7.277 -3.496 -4.625 1.00 0.00 C ATOM 422 CG TRP A 30 5.955 -4.051 -4.963 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.684 -4.837 -6.012 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.747 -3.911 -4.224 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.349 -5.155 -6.036 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.750 -4.603 -4.931 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.412 -3.255 -3.039 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.432 -4.653 -4.494 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.112 -3.305 -2.607 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.131 -3.999 -3.331 1.00 0.00 C ATOM 0 H TRP A 30 9.630 -3.182 -3.892 1.00 0.00 H new ATOM 0 HA TRP A 30 7.375 -3.478 -2.475 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.210 -2.409 -4.570 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.983 -3.732 -5.421 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.412 -5.173 -6.736 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.881 -5.708 -6.754 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.161 -2.719 -2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.676 -5.187 -5.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.838 -2.801 -1.692 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.116 -4.017 -2.962 1.00 0.00 H new ATOM 441 N LEU A 31 7.995 -6.367 -3.886 1.00 0.00 N ATOM 442 CA LEU A 31 7.614 -7.750 -3.880 1.00 0.00 C ATOM 443 C LEU A 31 7.761 -8.325 -2.487 1.00 0.00 C ATOM 444 O LEU A 31 6.838 -8.926 -1.947 1.00 0.00 O ATOM 445 CB LEU A 31 8.472 -8.491 -4.878 1.00 0.00 C ATOM 446 CG LEU A 31 8.203 -8.124 -6.335 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.727 -8.267 -6.665 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.703 -6.729 -6.695 1.00 0.00 C ATOM 0 H LEU A 31 8.776 -6.145 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 31 6.568 -7.855 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.521 -8.295 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.314 -9.562 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 31 8.770 -8.828 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.560 -8.000 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.416 -9.298 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.145 -7.605 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.484 -6.523 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.203 -5.990 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.779 -6.675 -6.532 1.00 0.00 H new ATOM 460 N SER A 32 8.923 -8.103 -1.908 1.00 0.00 N ATOM 461 CA SER A 32 9.207 -8.517 -0.541 1.00 0.00 C ATOM 462 C SER A 32 8.302 -7.823 0.493 1.00 0.00 C ATOM 463 O SER A 32 7.881 -8.457 1.455 1.00 0.00 O ATOM 464 CB SER A 32 10.662 -8.250 -0.221 1.00 0.00 C ATOM 465 OG SER A 32 11.483 -8.548 -1.343 1.00 0.00 O ATOM 0 H SER A 32 9.701 -7.630 -2.369 1.00 0.00 H new ATOM 0 HA SER A 32 8.998 -9.585 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.792 -7.206 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.969 -8.854 0.632 1.00 0.00 H new ATOM 0 HG SER A 32 12.420 -8.368 -1.120 1.00 0.00 H new ATOM 471 N VAL A 33 7.999 -6.531 0.317 1.00 0.00 N ATOM 472 CA VAL A 33 7.104 -5.851 1.244 1.00 0.00 C ATOM 473 C VAL A 33 5.672 -6.338 1.058 1.00 0.00 C ATOM 474 O VAL A 33 4.858 -6.242 1.965 1.00 0.00 O ATOM 475 CB VAL A 33 7.169 -4.305 1.135 1.00 0.00 C ATOM 476 CG1 VAL A 33 8.286 -3.752 2.005 1.00 0.00 C ATOM 477 CG2 VAL A 33 7.369 -3.865 -0.276 1.00 0.00 C ATOM 0 H VAL A 33 8.354 -5.951 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 33 7.447 -6.106 2.247 1.00 0.00 H new ATOM 0 HB VAL A 33 6.214 -3.915 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.314 -2.666 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.106 -4.024 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.240 -4.168 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.410 -2.776 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.303 -4.277 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.540 -4.219 -0.889 1.00 0.00 H new ATOM 487 N SER A 34 5.384 -6.875 -0.121 1.00 0.00 N ATOM 488 CA SER A 34 4.114 -7.533 -0.388 1.00 0.00 C ATOM 489 C SER A 34 4.076 -8.911 0.280 1.00 0.00 C ATOM 490 O SER A 34 3.035 -9.335 0.770 1.00 0.00 O ATOM 491 CB SER A 34 3.903 -7.647 -1.903 1.00 0.00 C ATOM 492 OG SER A 34 2.967 -8.657 -2.230 1.00 0.00 O ATOM 0 H SER A 34 6.023 -6.866 -0.916 1.00 0.00 H new ATOM 0 HA SER A 34 3.303 -6.938 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.557 -6.690 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.855 -7.864 -2.387 1.00 0.00 H new ATOM 0 HG SER A 34 2.063 -8.349 -2.011 1.00 0.00 H new ATOM 498 N ARG A 35 5.219 -9.597 0.299 1.00 0.00 N ATOM 499 CA ARG A 35 5.390 -10.834 1.033 1.00 0.00 C ATOM 500 C ARG A 35 4.970 -10.649 2.467 1.00 0.00 C ATOM 501 O ARG A 35 4.208 -11.420 3.046 1.00 0.00 O ATOM 502 CB ARG A 35 6.853 -11.168 1.021 1.00 0.00 C ATOM 503 CG ARG A 35 7.421 -11.272 -0.342 1.00 0.00 C ATOM 504 CD ARG A 35 6.801 -12.409 -1.097 1.00 0.00 C ATOM 505 NE ARG A 35 7.431 -12.619 -2.398 1.00 0.00 N ATOM 506 CZ ARG A 35 6.786 -13.070 -3.474 1.00 0.00 C ATOM 507 NH1 ARG A 35 5.496 -13.377 -3.406 1.00 0.00 N ATOM 508 NH2 ARG A 35 7.432 -13.214 -4.623 1.00 0.00 N ATOM 0 H ARG A 35 6.056 -9.300 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 35 4.788 -11.620 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.397 -10.404 1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.007 -12.112 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.255 -10.339 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.500 -11.417 -0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.881 -13.321 -0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.738 -12.212 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 35 8.425 -12.408 -2.489 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.992 -13.268 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.009 -13.721 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.423 -12.980 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.938 -13.559 -5.446 1.00 0.00 H new ATOM 522 N LYS A 36 5.570 -9.638 3.031 1.00 0.00 N ATOM 523 CA LYS A 36 5.237 -9.134 4.345 1.00 0.00 C ATOM 524 C LYS A 36 3.760 -8.794 4.458 1.00 0.00 C ATOM 525 O LYS A 36 3.007 -9.397 5.228 1.00 0.00 O ATOM 526 CB LYS A 36 6.067 -7.878 4.569 1.00 0.00 C ATOM 527 CG LYS A 36 7.537 -8.143 4.421 1.00 0.00 C ATOM 528 CD LYS A 36 8.391 -6.984 4.857 1.00 0.00 C ATOM 529 CE LYS A 36 9.868 -7.314 4.712 1.00 0.00 C ATOM 530 NZ LYS A 36 10.744 -6.196 5.152 1.00 0.00 N ATOM 0 H LYS A 36 6.327 -9.123 2.581 1.00 0.00 H new ATOM 0 HA LYS A 36 5.451 -9.897 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.763 -7.111 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.868 -7.485 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.802 -9.023 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.755 -8.376 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.150 -6.105 4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.170 -6.734 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.098 -8.204 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.084 -7.553 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.741 -6.469 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.546 -5.352 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.559 -5.984 6.153 1.00 0.00 H new ATOM 544 N MET A 37 3.384 -7.817 3.669 1.00 0.00 N ATOM 545 CA MET A 37 2.042 -7.231 3.686 1.00 0.00 C ATOM 546 C MET A 37 0.900 -8.224 3.430 1.00 0.00 C ATOM 547 O MET A 37 -0.192 -8.036 3.959 1.00 0.00 O ATOM 548 CB MET A 37 1.959 -6.080 2.678 1.00 0.00 C ATOM 549 CG MET A 37 2.367 -4.743 3.274 1.00 0.00 C ATOM 550 SD MET A 37 1.898 -3.327 2.258 1.00 0.00 S ATOM 551 CE MET A 37 2.961 -3.550 0.834 1.00 0.00 C ATOM 0 H MET A 37 4.004 -7.391 2.980 1.00 0.00 H new ATOM 0 HA MET A 37 1.898 -6.871 4.705 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.600 -6.303 1.825 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.939 -6.008 2.300 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.912 -4.640 4.259 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.447 -4.734 3.419 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.199 -2.578 0.402 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.882 -4.046 1.141 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.450 -4.162 0.091 1.00 0.00 H new ATOM 561 N GLN A 38 1.128 -9.268 2.633 1.00 0.00 N ATOM 562 CA GLN A 38 0.046 -10.177 2.233 1.00 0.00 C ATOM 563 C GLN A 38 -0.617 -10.855 3.422 1.00 0.00 C ATOM 564 O GLN A 38 -1.778 -11.257 3.353 1.00 0.00 O ATOM 565 CB GLN A 38 0.545 -11.223 1.232 1.00 0.00 C ATOM 566 CG GLN A 38 1.704 -12.084 1.722 1.00 0.00 C ATOM 567 CD GLN A 38 1.310 -13.178 2.699 1.00 0.00 C ATOM 568 OE1 GLN A 38 0.214 -13.737 2.636 1.00 0.00 O ATOM 569 NE2 GLN A 38 2.210 -13.481 3.621 1.00 0.00 N ATOM 0 H GLN A 38 2.044 -9.507 2.252 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.711 -9.561 1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.287 -11.876 0.968 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.852 -10.713 0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.189 -12.542 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.443 -11.439 2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.106 -12.994 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.007 -14.201 4.314 1.00 0.00 H new ATOM 578 N ALA A 39 0.119 -10.972 4.508 1.00 0.00 N ATOM 579 CA ALA A 39 -0.389 -11.611 5.708 1.00 0.00 C ATOM 580 C ALA A 39 -1.360 -10.697 6.449 1.00 0.00 C ATOM 581 O ALA A 39 -1.935 -11.076 7.469 1.00 0.00 O ATOM 582 CB ALA A 39 0.767 -12.025 6.598 1.00 0.00 C ATOM 0 H ALA A 39 1.077 -10.631 4.586 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.944 -12.504 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.380 -12.504 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.407 -12.725 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.345 -11.144 6.876 1.00 0.00 H new ATOM 588 N SER A 40 -1.534 -9.494 5.928 1.00 0.00 N ATOM 589 CA SER A 40 -2.504 -8.564 6.453 1.00 0.00 C ATOM 590 C SER A 40 -3.664 -8.401 5.473 1.00 0.00 C ATOM 591 O SER A 40 -3.470 -8.114 4.287 1.00 0.00 O ATOM 592 CB SER A 40 -1.856 -7.207 6.720 1.00 0.00 C ATOM 593 OG SER A 40 -0.850 -7.302 7.712 1.00 0.00 O ATOM 0 H SER A 40 -1.005 -9.141 5.131 1.00 0.00 H new ATOM 0 HA SER A 40 -2.886 -8.961 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.424 -6.820 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.617 -6.495 7.038 1.00 0.00 H new ATOM 0 HG SER A 40 -0.087 -6.742 7.459 1.00 0.00 H new ATOM 599 N PRO A 41 -4.889 -8.587 5.982 1.00 0.00 N ATOM 600 CA PRO A 41 -6.134 -8.428 5.224 1.00 0.00 C ATOM 601 C PRO A 41 -6.222 -7.092 4.534 1.00 0.00 C ATOM 602 O PRO A 41 -6.850 -6.960 3.490 1.00 0.00 O ATOM 603 CB PRO A 41 -7.230 -8.522 6.286 1.00 0.00 C ATOM 604 CG PRO A 41 -6.533 -8.434 7.586 1.00 0.00 C ATOM 605 CD PRO A 41 -5.156 -8.976 7.363 1.00 0.00 C ATOM 0 HA PRO A 41 -6.211 -9.178 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.954 -7.715 6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.781 -9.459 6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.493 -7.403 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.058 -9.009 8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.432 -8.544 8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.118 -10.057 7.496 1.00 0.00 H new ATOM 613 N GLU A 42 -5.593 -6.113 5.134 1.00 0.00 N ATOM 614 CA GLU A 42 -5.618 -4.764 4.612 1.00 0.00 C ATOM 615 C GLU A 42 -4.961 -4.689 3.238 1.00 0.00 C ATOM 616 O GLU A 42 -5.560 -4.192 2.277 1.00 0.00 O ATOM 617 CB GLU A 42 -4.968 -3.812 5.603 1.00 0.00 C ATOM 618 CG GLU A 42 -5.409 -4.047 7.044 1.00 0.00 C ATOM 619 CD GLU A 42 -6.916 -4.163 7.197 1.00 0.00 C ATOM 620 OE1 GLU A 42 -7.586 -3.128 7.372 1.00 0.00 O ATOM 621 OE2 GLU A 42 -7.434 -5.297 7.159 1.00 0.00 O ATOM 0 H GLU A 42 -5.052 -6.224 5.992 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.656 -4.459 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.885 -3.917 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.206 -2.786 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.941 -4.958 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.049 -3.227 7.666 1.00 0.00 H new ATOM 628 N TYR A 43 -3.744 -5.210 3.143 1.00 0.00 N ATOM 629 CA TYR A 43 -3.057 -5.317 1.865 1.00 0.00 C ATOM 630 C TYR A 43 -3.892 -6.143 0.886 1.00 0.00 C ATOM 631 O TYR A 43 -4.048 -5.774 -0.279 1.00 0.00 O ATOM 632 CB TYR A 43 -1.673 -5.948 2.069 1.00 0.00 C ATOM 633 CG TYR A 43 -1.095 -6.592 0.825 1.00 0.00 C ATOM 634 CD1 TYR A 43 -1.357 -7.924 0.541 1.00 0.00 C ATOM 635 CD2 TYR A 43 -0.303 -5.877 -0.062 1.00 0.00 C ATOM 636 CE1 TYR A 43 -0.857 -8.530 -0.591 1.00 0.00 C ATOM 637 CE2 TYR A 43 0.207 -6.476 -1.199 1.00 0.00 C ATOM 638 CZ TYR A 43 -0.077 -7.803 -1.460 1.00 0.00 C ATOM 639 OH TYR A 43 0.414 -8.400 -2.597 1.00 0.00 O ATOM 0 H TYR A 43 -3.213 -5.565 3.938 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.925 -4.320 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.984 -5.180 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.741 -6.700 2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.967 -8.499 1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.082 -4.839 0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.076 -9.568 -0.794 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.825 -5.909 -1.880 1.00 0.00 H new ATOM 0 HH TYR A 43 0.735 -7.711 -3.216 1.00 0.00 H new ATOM 649 N GLN A 44 -4.428 -7.258 1.379 1.00 0.00 N ATOM 650 CA GLN A 44 -5.259 -8.153 0.574 1.00 0.00 C ATOM 651 C GLN A 44 -6.434 -7.417 -0.024 1.00 0.00 C ATOM 652 O GLN A 44 -6.562 -7.312 -1.236 1.00 0.00 O ATOM 653 CB GLN A 44 -5.821 -9.272 1.434 1.00 0.00 C ATOM 654 CG GLN A 44 -4.775 -10.146 2.063 1.00 0.00 C ATOM 655 CD GLN A 44 -4.260 -11.215 1.116 1.00 0.00 C ATOM 656 OE1 GLN A 44 -4.786 -12.326 1.063 1.00 0.00 O ATOM 657 NE2 GLN A 44 -3.235 -10.883 0.350 1.00 0.00 N ATOM 0 H GLN A 44 -4.300 -7.566 2.343 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.623 -8.551 -0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.437 -8.837 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.477 -9.891 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.941 -9.527 2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.191 -10.622 2.951 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.825 -9.952 0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.854 -11.558 -0.313 1.00 0.00 H new ATOM 666 N ASP A 45 -7.290 -6.943 0.860 1.00 0.00 N ATOM 667 CA ASP A 45 -8.536 -6.271 0.484 1.00 0.00 C ATOM 668 C ASP A 45 -8.314 -5.218 -0.594 1.00 0.00 C ATOM 669 O ASP A 45 -9.050 -5.164 -1.578 1.00 0.00 O ATOM 670 CB ASP A 45 -9.188 -5.624 1.705 1.00 0.00 C ATOM 671 CG ASP A 45 -10.700 -5.609 1.609 1.00 0.00 C ATOM 672 OD1 ASP A 45 -11.266 -4.658 1.035 1.00 0.00 O ATOM 673 OD2 ASP A 45 -11.339 -6.555 2.124 1.00 0.00 O ATOM 0 H ASP A 45 -7.147 -7.010 1.868 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.199 -7.035 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.889 -6.164 2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.823 -4.603 1.811 1.00 0.00 H new ATOM 678 N TYR A 46 -7.286 -4.401 -0.426 1.00 0.00 N ATOM 679 CA TYR A 46 -7.006 -3.340 -1.390 1.00 0.00 C ATOM 680 C TYR A 46 -6.524 -3.897 -2.716 1.00 0.00 C ATOM 681 O TYR A 46 -6.855 -3.363 -3.777 1.00 0.00 O ATOM 682 CB TYR A 46 -5.998 -2.336 -0.834 1.00 0.00 C ATOM 683 CG TYR A 46 -5.696 -1.209 -1.798 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.594 -0.167 -1.976 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.517 -1.193 -2.535 1.00 0.00 C ATOM 686 CE1 TYR A 46 -6.329 0.858 -2.862 1.00 0.00 C ATOM 687 CE2 TYR A 46 -4.243 -0.170 -3.422 1.00 0.00 C ATOM 688 CZ TYR A 46 -5.153 0.855 -3.581 1.00 0.00 C ATOM 689 OH TYR A 46 -4.886 1.881 -4.460 1.00 0.00 O ATOM 0 H TYR A 46 -6.636 -4.448 0.359 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.946 -2.818 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.384 -1.918 0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.072 -2.856 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.515 -0.157 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.803 -1.994 -2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.041 1.660 -2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.323 -0.172 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.016 1.729 -4.886 1.00 0.00 H new ATOM 699 N VAL A 47 -5.761 -4.967 -2.671 1.00 0.00 N ATOM 700 CA VAL A 47 -5.284 -5.573 -3.893 1.00 0.00 C ATOM 701 C VAL A 47 -6.394 -6.411 -4.529 1.00 0.00 C ATOM 702 O VAL A 47 -6.401 -6.667 -5.735 1.00 0.00 O ATOM 703 CB VAL A 47 -4.019 -6.425 -3.647 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.615 -7.201 -4.887 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.871 -5.548 -3.179 1.00 0.00 C ATOM 0 H VAL A 47 -5.461 -5.430 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.006 -4.776 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.257 -7.147 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.721 -7.788 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.426 -7.868 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.407 -6.505 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.988 -6.164 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.651 -4.799 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.149 -5.050 -2.250 1.00 0.00 H new ATOM 715 N TYR A 48 -7.342 -6.804 -3.704 1.00 0.00 N ATOM 716 CA TYR A 48 -8.513 -7.523 -4.140 1.00 0.00 C ATOM 717 C TYR A 48 -9.386 -6.616 -4.994 1.00 0.00 C ATOM 718 O TYR A 48 -9.784 -6.974 -6.103 1.00 0.00 O ATOM 719 CB TYR A 48 -9.247 -8.004 -2.894 1.00 0.00 C ATOM 720 CG TYR A 48 -10.726 -8.183 -3.058 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.254 -9.312 -3.652 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.587 -7.212 -2.596 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.622 -9.467 -3.784 1.00 0.00 C ATOM 724 CE2 TYR A 48 -12.954 -7.352 -2.721 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.466 -8.482 -3.313 1.00 0.00 C ATOM 726 OH TYR A 48 -14.829 -8.625 -3.446 1.00 0.00 O ATOM 0 H TYR A 48 -7.317 -6.629 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.245 -8.382 -4.756 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.814 -8.954 -2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.070 -7.291 -2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.591 -10.083 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.185 -6.326 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.027 -10.352 -4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.616 -6.580 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.279 -7.844 -3.062 1.00 0.00 H new ATOM 736 N LEU A 49 -9.674 -5.440 -4.455 1.00 0.00 N ATOM 737 CA LEU A 49 -10.437 -4.417 -5.171 1.00 0.00 C ATOM 738 C LEU A 49 -9.660 -3.916 -6.378 1.00 0.00 C ATOM 739 O LEU A 49 -10.034 -4.146 -7.529 1.00 0.00 O ATOM 740 CB LEU A 49 -10.715 -3.215 -4.266 1.00 0.00 C ATOM 741 CG LEU A 49 -11.242 -3.539 -2.884 1.00 0.00 C ATOM 742 CD1 LEU A 49 -11.165 -2.313 -1.990 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.672 -4.048 -2.955 1.00 0.00 C ATOM 0 H LEU A 49 -9.389 -5.165 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.374 -4.875 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.793 -2.644 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.434 -2.566 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.620 -4.326 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.547 -2.560 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.128 -1.987 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.764 -1.511 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -13.028 -4.274 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.308 -3.284 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.707 -4.951 -3.564 1.00 0.00 H new ATOM 755 N GLU A 50 -8.569 -3.229 -6.086 1.00 0.00 N ATOM 756 CA GLU A 50 -7.779 -2.562 -7.114 1.00 0.00 C ATOM 757 C GLU A 50 -6.826 -3.525 -7.811 1.00 0.00 C ATOM 758 O GLU A 50 -7.051 -3.910 -8.958 1.00 0.00 O ATOM 759 CB GLU A 50 -7.004 -1.388 -6.515 1.00 0.00 C ATOM 760 CG GLU A 50 -7.898 -0.245 -6.069 1.00 0.00 C ATOM 761 CD GLU A 50 -8.710 0.326 -7.215 1.00 0.00 C ATOM 762 OE1 GLU A 50 -8.133 1.029 -8.065 1.00 0.00 O ATOM 763 OE2 GLU A 50 -9.925 0.052 -7.287 1.00 0.00 O ATOM 0 H GLU A 50 -8.206 -3.117 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.473 -2.184 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.425 -1.741 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.292 -1.017 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.572 -0.596 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.286 0.543 -5.631 1.00 0.00 H new ATOM 770 N GLY A 51 -5.763 -3.911 -7.123 1.00 0.00 N ATOM 771 CA GLY A 51 -4.798 -4.821 -7.707 1.00 0.00 C ATOM 772 C GLY A 51 -3.384 -4.538 -7.246 1.00 0.00 C ATOM 773 O GLY A 51 -3.124 -3.507 -6.621 1.00 0.00 O ATOM 0 H GLY A 51 -5.550 -3.611 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.064 -5.845 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.844 -4.747 -8.793 1.00 0.00 H new ATOM 777 N THR A 52 -2.470 -5.446 -7.562 1.00 0.00 N ATOM 778 CA THR A 52 -1.081 -5.327 -7.141 1.00 0.00 C ATOM 779 C THR A 52 -0.373 -4.166 -7.828 1.00 0.00 C ATOM 780 O THR A 52 0.550 -3.582 -7.271 1.00 0.00 O ATOM 781 CB THR A 52 -0.304 -6.626 -7.426 1.00 0.00 C ATOM 782 OG1 THR A 52 -0.828 -7.256 -8.604 1.00 0.00 O ATOM 783 CG2 THR A 52 -0.378 -7.584 -6.247 1.00 0.00 C ATOM 0 H THR A 52 -2.669 -6.280 -8.114 1.00 0.00 H new ATOM 0 HA THR A 52 -1.099 -5.138 -6.068 1.00 0.00 H new ATOM 0 HB THR A 52 0.743 -6.369 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.330 -8.081 -8.783 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.180 -8.491 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.052 -7.109 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.419 -7.839 -6.050 1.00 0.00 H new ATOM 791 N GLN A 53 -0.818 -3.824 -9.026 1.00 0.00 N ATOM 792 CA GLN A 53 -0.162 -2.795 -9.811 1.00 0.00 C ATOM 793 C GLN A 53 -0.345 -1.414 -9.198 1.00 0.00 C ATOM 794 O GLN A 53 0.631 -0.704 -8.977 1.00 0.00 O ATOM 795 CB GLN A 53 -0.673 -2.833 -11.246 1.00 0.00 C ATOM 796 CG GLN A 53 -0.278 -4.091 -11.985 1.00 0.00 C ATOM 797 CD GLN A 53 1.229 -4.246 -12.103 1.00 0.00 C ATOM 798 OE1 GLN A 53 1.882 -4.810 -11.223 1.00 0.00 O ATOM 799 NE2 GLN A 53 1.791 -3.763 -13.200 1.00 0.00 N ATOM 0 H GLN A 53 -1.631 -4.245 -9.475 1.00 0.00 H new ATOM 0 HA GLN A 53 0.909 -2.999 -9.813 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.760 -2.749 -11.240 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.289 -1.967 -11.785 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.690 -4.957 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.718 -4.076 -12.982 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.217 -3.302 -13.906 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.798 -3.852 -13.339 1.00 0.00 H new ATOM 808 N LYS A 54 -1.585 -1.039 -8.898 1.00 0.00 N ATOM 809 CA LYS A 54 -1.844 0.265 -8.295 1.00 0.00 C ATOM 810 C LYS A 54 -1.273 0.331 -6.890 1.00 0.00 C ATOM 811 O LYS A 54 -0.849 1.384 -6.428 1.00 0.00 O ATOM 812 CB LYS A 54 -3.312 0.560 -8.253 1.00 0.00 C ATOM 813 CG LYS A 54 -3.987 0.340 -9.565 1.00 0.00 C ATOM 814 CD LYS A 54 -5.386 0.903 -9.554 1.00 0.00 C ATOM 815 CE LYS A 54 -6.207 0.387 -10.720 1.00 0.00 C ATOM 816 NZ LYS A 54 -7.614 0.860 -10.655 1.00 0.00 N ATOM 0 H LYS A 54 -2.415 -1.609 -9.059 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.354 1.015 -8.916 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.782 -0.070 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.461 1.594 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.408 0.811 -10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.022 -0.727 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.877 0.639 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.341 1.991 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.756 0.716 -11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.189 -0.703 -10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.227 0.197 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.917 0.912 -9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.684 1.803 -11.088 1.00 0.00 H new ATOM 830 N ALA A 55 -1.274 -0.812 -6.218 1.00 0.00 N ATOM 831 CA ALA A 55 -0.694 -0.938 -4.884 1.00 0.00 C ATOM 832 C ALA A 55 0.826 -0.819 -4.953 1.00 0.00 C ATOM 833 O ALA A 55 1.448 -0.257 -4.053 1.00 0.00 O ATOM 834 CB ALA A 55 -1.098 -2.269 -4.277 1.00 0.00 C ATOM 0 H ALA A 55 -1.675 -1.677 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.070 -0.133 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.664 -2.361 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.184 -2.322 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.736 -3.081 -4.907 1.00 0.00 H new ATOM 840 N LYS A 56 1.423 -1.357 -6.019 1.00 0.00 N ATOM 841 CA LYS A 56 2.832 -1.177 -6.274 1.00 0.00 C ATOM 842 C LYS A 56 3.124 0.298 -6.453 1.00 0.00 C ATOM 843 O LYS A 56 3.959 0.862 -5.760 1.00 0.00 O ATOM 844 CB LYS A 56 3.247 -1.943 -7.526 1.00 0.00 C ATOM 845 CG LYS A 56 4.738 -2.071 -7.655 1.00 0.00 C ATOM 846 CD LYS A 56 5.129 -2.983 -8.801 1.00 0.00 C ATOM 847 CE LYS A 56 6.640 -3.053 -8.957 1.00 0.00 C ATOM 848 NZ LYS A 56 7.052 -3.957 -10.063 1.00 0.00 N ATOM 0 H LYS A 56 0.939 -1.922 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 56 3.400 -1.563 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.801 -2.937 -7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.852 -1.436 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.175 -1.085 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.151 -2.460 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.732 -3.983 -8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.682 -2.621 -9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.030 -2.053 -9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.084 -3.399 -8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.090 -3.972 -10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.703 -4.918 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.652 -3.614 -10.959 1.00 0.00 H new ATOM 862 N LYS A 57 2.423 0.920 -7.390 1.00 0.00 N ATOM 863 CA LYS A 57 2.511 2.333 -7.597 1.00 0.00 C ATOM 864 C LYS A 57 2.236 3.110 -6.310 1.00 0.00 C ATOM 865 O LYS A 57 2.863 4.134 -6.058 1.00 0.00 O ATOM 866 CB LYS A 57 1.515 2.660 -8.671 1.00 0.00 C ATOM 867 CG LYS A 57 1.786 1.882 -9.912 1.00 0.00 C ATOM 868 CD LYS A 57 0.982 2.407 -11.037 1.00 0.00 C ATOM 869 CE LYS A 57 1.124 3.895 -11.178 1.00 0.00 C ATOM 870 NZ LYS A 57 0.174 4.458 -12.173 1.00 0.00 N ATOM 0 H LYS A 57 1.779 0.445 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 57 3.517 2.624 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.508 2.443 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.552 3.727 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.846 1.936 -10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.550 0.830 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.293 1.923 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.067 2.155 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.956 4.368 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.145 4.134 -11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.308 5.487 -12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.350 4.027 -13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.801 4.254 -11.876 1.00 0.00 H new ATOM 884 N LEU A 58 1.315 2.605 -5.495 1.00 0.00 N ATOM 885 CA LEU A 58 1.018 3.205 -4.200 1.00 0.00 C ATOM 886 C LEU A 58 2.253 3.109 -3.299 1.00 0.00 C ATOM 887 O LEU A 58 2.630 4.070 -2.622 1.00 0.00 O ATOM 888 CB LEU A 58 -0.184 2.498 -3.549 1.00 0.00 C ATOM 889 CG LEU A 58 -0.796 3.188 -2.339 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.673 4.704 -2.441 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.261 2.806 -2.219 1.00 0.00 C ATOM 0 H LEU A 58 0.759 1.777 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 58 0.760 4.255 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.961 2.378 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.128 1.497 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.251 2.861 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.120 5.165 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.380 4.980 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.190 5.052 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.696 3.302 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.793 3.116 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.347 1.726 -2.101 1.00 0.00 H new ATOM 903 N PHE A 59 2.867 1.930 -3.304 1.00 0.00 N ATOM 904 CA PHE A 59 4.143 1.695 -2.628 1.00 0.00 C ATOM 905 C PHE A 59 5.195 2.706 -3.094 1.00 0.00 C ATOM 906 O PHE A 59 5.819 3.378 -2.275 1.00 0.00 O ATOM 907 CB PHE A 59 4.604 0.247 -2.896 1.00 0.00 C ATOM 908 CG PHE A 59 6.061 -0.030 -2.613 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.523 -0.081 -1.313 1.00 0.00 C ATOM 910 CD2 PHE A 59 6.966 -0.255 -3.651 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.852 -0.349 -1.044 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.295 -0.520 -3.382 1.00 0.00 C ATOM 913 CZ PHE A 59 8.738 -0.564 -2.079 1.00 0.00 C ATOM 0 H PHE A 59 2.495 1.107 -3.778 1.00 0.00 H new ATOM 0 HA PHE A 59 4.013 1.829 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.999 -0.427 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.402 0.006 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.838 0.091 -0.496 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.624 -0.222 -4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.197 -0.390 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.986 -0.693 -4.194 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.778 -0.767 -1.868 1.00 0.00 H new ATOM 923 N LEU A 60 5.360 2.814 -4.414 1.00 0.00 N ATOM 924 CA LEU A 60 6.328 3.733 -5.028 1.00 0.00 C ATOM 925 C LEU A 60 6.154 5.159 -4.539 1.00 0.00 C ATOM 926 O LEU A 60 7.120 5.823 -4.164 1.00 0.00 O ATOM 927 CB LEU A 60 6.173 3.733 -6.544 1.00 0.00 C ATOM 928 CG LEU A 60 6.947 2.681 -7.312 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.439 2.940 -7.235 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.645 1.284 -6.815 1.00 0.00 C ATOM 0 H LEU A 60 4.827 2.267 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 60 7.317 3.378 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.115 3.613 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.472 4.713 -6.916 1.00 0.00 H new ATOM 0 HG LEU A 60 6.626 2.749 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.971 2.171 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.661 3.918 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.759 2.918 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.220 0.560 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.916 1.206 -5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.581 1.078 -6.932 1.00 0.00 H new ATOM 942 N GLN A 61 4.924 5.637 -4.601 1.00 0.00 N ATOM 943 CA GLN A 61 4.595 6.974 -4.133 1.00 0.00 C ATOM 944 C GLN A 61 5.058 7.187 -2.707 1.00 0.00 C ATOM 945 O GLN A 61 5.748 8.162 -2.415 1.00 0.00 O ATOM 946 CB GLN A 61 3.098 7.211 -4.225 1.00 0.00 C ATOM 947 CG GLN A 61 2.574 7.100 -5.633 1.00 0.00 C ATOM 948 CD GLN A 61 1.163 7.560 -5.765 1.00 0.00 C ATOM 949 OE1 GLN A 61 0.210 6.799 -5.590 1.00 0.00 O ATOM 950 NE2 GLN A 61 1.029 8.821 -6.100 1.00 0.00 N ATOM 0 H GLN A 61 4.130 5.116 -4.974 1.00 0.00 H new ATOM 0 HA GLN A 61 5.115 7.687 -4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.581 6.490 -3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.867 8.202 -3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.206 7.688 -6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.645 6.063 -5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.855 9.404 -6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.098 9.218 -6.229 1.00 0.00 H new ATOM 959 N HIS A 62 4.686 6.272 -1.821 1.00 0.00 N ATOM 960 CA HIS A 62 5.124 6.368 -0.428 1.00 0.00 C ATOM 961 C HIS A 62 6.632 6.353 -0.366 1.00 0.00 C ATOM 962 O HIS A 62 7.221 7.039 0.456 1.00 0.00 O ATOM 963 CB HIS A 62 4.604 5.228 0.448 1.00 0.00 C ATOM 964 CG HIS A 62 4.690 5.538 1.898 1.00 0.00 C ATOM 965 ND1 HIS A 62 5.593 4.942 2.747 1.00 0.00 N ATOM 966 CD2 HIS A 62 3.973 6.404 2.650 1.00 0.00 C ATOM 967 CE1 HIS A 62 5.422 5.424 3.952 1.00 0.00 C ATOM 968 NE2 HIS A 62 4.451 6.317 3.930 1.00 0.00 N ATOM 0 H HIS A 62 4.094 5.469 -2.032 1.00 0.00 H new ATOM 0 HA HIS A 62 4.715 7.302 -0.044 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.567 5.017 0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.176 4.324 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.174 7.044 2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.987 5.136 4.826 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.114 6.852 4.731 1.00 0.00 H new ATOM 977 N ILE A 63 7.252 5.548 -1.222 1.00 0.00 N ATOM 978 CA ILE A 63 8.702 5.513 -1.313 1.00 0.00 C ATOM 979 C ILE A 63 9.254 6.902 -1.552 1.00 0.00 C ATOM 980 O ILE A 63 10.212 7.309 -0.920 1.00 0.00 O ATOM 981 CB ILE A 63 9.198 4.582 -2.421 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.816 3.155 -2.088 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.709 4.707 -2.589 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.369 2.666 -0.774 1.00 0.00 C ATOM 0 H ILE A 63 6.772 4.913 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 63 9.061 5.125 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 63 8.730 4.867 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.729 3.076 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.167 2.500 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.044 4.037 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.962 5.734 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.202 4.439 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.052 1.637 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.458 2.711 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.998 3.296 0.034 1.00 0.00 H new ATOM 996 N HIS A 64 8.616 7.633 -2.440 1.00 0.00 N ATOM 997 CA HIS A 64 9.019 8.991 -2.756 1.00 0.00 C ATOM 998 C HIS A 64 8.781 9.875 -1.553 1.00 0.00 C ATOM 999 O HIS A 64 9.678 10.597 -1.117 1.00 0.00 O ATOM 1000 CB HIS A 64 8.210 9.478 -3.965 1.00 0.00 C ATOM 1001 CG HIS A 64 8.310 10.924 -4.242 1.00 0.00 C ATOM 1002 ND1 HIS A 64 8.015 11.815 -3.281 1.00 0.00 N ATOM 1003 CD2 HIS A 64 8.659 11.629 -5.343 1.00 0.00 C ATOM 1004 CE1 HIS A 64 8.171 13.040 -3.745 1.00 0.00 C ATOM 1005 NE2 HIS A 64 8.562 12.956 -5.005 1.00 0.00 N ATOM 0 H HIS A 64 7.804 7.306 -2.964 1.00 0.00 H new ATOM 0 HA HIS A 64 10.080 9.028 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.540 8.931 -4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.162 9.225 -3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.956 11.227 -6.300 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.008 13.953 -3.192 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.758 13.744 -5.622 1.00 0.00 H new ATOM 1014 N ARG A 65 7.551 9.852 -1.070 1.00 0.00 N ATOM 1015 CA ARG A 65 7.167 10.584 0.111 1.00 0.00 C ATOM 1016 C ARG A 65 8.148 10.386 1.253 1.00 0.00 C ATOM 1017 O ARG A 65 8.596 11.337 1.889 1.00 0.00 O ATOM 1018 CB ARG A 65 5.830 10.112 0.488 1.00 0.00 C ATOM 1019 CG ARG A 65 4.849 10.471 -0.538 1.00 0.00 C ATOM 1020 CD ARG A 65 3.688 9.555 -0.499 1.00 0.00 C ATOM 1021 NE ARG A 65 2.723 9.911 0.541 1.00 0.00 N ATOM 1022 CZ ARG A 65 1.515 9.359 0.669 1.00 0.00 C ATOM 1023 NH1 ARG A 65 1.089 8.456 -0.206 1.00 0.00 N ATOM 1024 NH2 ARG A 65 0.725 9.732 1.664 1.00 0.00 N ATOM 0 H ARG A 65 6.791 9.320 -1.493 1.00 0.00 H new ATOM 0 HA ARG A 65 7.166 11.653 -0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.845 9.030 0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.541 10.548 1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.514 11.497 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.315 10.433 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.191 9.564 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.039 8.537 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 65 2.992 10.629 1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.687 8.179 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.164 8.040 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.041 10.438 2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.199 9.313 1.766 1.00 0.00 H new ATOM 1038 N LEU A 66 8.433 9.121 1.491 1.00 0.00 N ATOM 1039 CA LEU A 66 9.498 8.659 2.357 1.00 0.00 C ATOM 1040 C LEU A 66 10.727 9.553 2.274 1.00 0.00 C ATOM 1041 O LEU A 66 11.063 10.291 3.200 1.00 0.00 O ATOM 1042 CB LEU A 66 9.896 7.282 1.858 1.00 0.00 C ATOM 1043 CG LEU A 66 9.761 6.128 2.817 1.00 0.00 C ATOM 1044 CD1 LEU A 66 9.203 6.560 4.134 1.00 0.00 C ATOM 1045 CD2 LEU A 66 8.897 5.038 2.243 1.00 0.00 C ATOM 0 H LEU A 66 7.907 8.356 1.069 1.00 0.00 H new ATOM 0 HA LEU A 66 9.146 8.660 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.296 7.058 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.935 7.330 1.533 1.00 0.00 H new ATOM 0 HG LEU A 66 10.767 5.740 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.122 5.697 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.864 7.301 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.216 6.997 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.819 4.220 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.903 5.433 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.342 4.670 1.319 1.00 0.00 H new ATOM 1057 N LYS A 67 11.381 9.436 1.128 1.00 0.00 N ATOM 1058 CA LYS A 67 12.616 10.159 0.811 1.00 0.00 C ATOM 1059 C LYS A 67 12.434 11.666 0.939 1.00 0.00 C ATOM 1060 O LYS A 67 13.277 12.361 1.503 1.00 0.00 O ATOM 1061 CB LYS A 67 13.051 9.841 -0.628 1.00 0.00 C ATOM 1062 CG LYS A 67 12.636 8.476 -1.092 1.00 0.00 C ATOM 1063 CD LYS A 67 13.199 8.096 -2.428 1.00 0.00 C ATOM 1064 CE LYS A 67 12.210 8.426 -3.525 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.792 8.325 -4.889 1.00 0.00 N ATOM 0 H LYS A 67 11.067 8.825 0.374 1.00 0.00 H new ATOM 0 HA LYS A 67 13.376 9.836 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.629 10.588 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.135 9.926 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.950 7.740 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.548 8.434 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.135 8.627 -2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.429 7.031 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.357 7.752 -3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.832 9.437 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.066 8.563 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.589 8.987 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.128 7.355 -5.052 1.00 0.00 H new ATOM 1079 N HIS A 68 11.324 12.160 0.409 1.00 0.00 N ATOM 1080 CA HIS A 68 11.087 13.574 0.308 1.00 0.00 C ATOM 1081 C HIS A 68 9.642 13.852 -0.055 1.00 0.00 C ATOM 1082 O HIS A 68 9.237 13.715 -1.201 1.00 0.00 O ATOM 1083 CB HIS A 68 12.028 14.232 -0.706 1.00 0.00 C ATOM 1084 CG HIS A 68 12.047 13.624 -2.073 1.00 0.00 C ATOM 1085 ND1 HIS A 68 11.340 12.500 -2.389 1.00 0.00 N ATOM 1086 CD2 HIS A 68 12.695 13.992 -3.202 1.00 0.00 C ATOM 1087 CE1 HIS A 68 11.555 12.187 -3.651 1.00 0.00 C ATOM 1088 NE2 HIS A 68 12.369 13.080 -4.174 1.00 0.00 N ATOM 0 H HIS A 68 10.568 11.583 0.040 1.00 0.00 H new ATOM 0 HA HIS A 68 11.292 14.010 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.751 15.282 -0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.041 14.204 -0.303 1.00 0.00 H new ATOM 0 HD1 HIS A 68 10.739 11.983 -1.748 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.348 14.845 -3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.133 11.339 -4.170 1.00 0.00 H new ATOM 1097 N GLU A 69 8.864 14.201 0.933 1.00 0.00 N ATOM 1098 CA GLU A 69 7.489 14.588 0.697 1.00 0.00 C ATOM 1099 C GLU A 69 7.395 16.097 0.521 1.00 0.00 C ATOM 1100 O GLU A 69 7.474 16.823 1.534 1.00 0.00 O ATOM 1101 CB GLU A 69 6.590 14.133 1.835 1.00 0.00 C ATOM 1102 CG GLU A 69 5.345 13.433 1.360 1.00 0.00 C ATOM 1103 CD GLU A 69 4.279 13.341 2.428 1.00 0.00 C ATOM 1104 OE1 GLU A 69 3.598 14.355 2.684 1.00 0.00 O ATOM 1105 OE2 GLU A 69 4.122 12.257 3.028 1.00 0.00 O ATOM 1106 OXT GLU A 69 7.261 16.554 -0.633 1.00 0.00 O ATOM 0 H GLU A 69 9.153 14.227 1.911 1.00 0.00 H new ATOM 0 HA GLU A 69 7.149 14.101 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.150 13.463 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.307 14.998 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.943 13.963 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.604 12.429 1.025 1.00 0.00 H new TER 1113 GLU A 69