USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 170:sc= -0.11 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0433 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 169:sc= 1.27 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -160:sc= 0.978 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.47) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.34 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.0285 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.35 (180deg=1.35) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.825 K(o=0.83,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 0.704 (180deg=0.0629) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -71:sc= 0.967 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.661 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.218 X(o=0.22,f=-0.063) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.070 -7.199 -5.028 1.00 9.67 N ATOM 2 CA MET A 1 11.198 -7.565 -3.596 1.00 10.38 C ATOM 3 C MET A 1 9.826 -7.842 -2.961 1.00 9.62 C ATOM 4 O MET A 1 8.821 -7.442 -3.563 1.00 9.62 O ATOM 5 CB MET A 1 11.926 -6.373 -2.778 1.00 13.77 C ATOM 6 CG MET A 1 11.110 -5.105 -2.388 1.00 16.29 C ATOM 7 SD MET A 1 12.068 -3.671 -1.945 1.00 17.17 S ATOM 8 CE MET A 1 10.646 -2.792 -1.265 1.00 16.11 C ATOM 0 H1 MET A 1 12.016 -7.052 -5.435 1.00 9.67 H new ATOM 0 H2 MET A 1 10.588 -7.965 -5.540 1.00 9.67 H new ATOM 0 H3 MET A 1 10.516 -6.323 -5.114 1.00 9.67 H new ATOM 0 HA MET A 1 11.797 -8.474 -3.543 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.323 -6.802 -1.858 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.780 -6.043 -3.370 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.463 -4.842 -3.224 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.461 -5.358 -1.550 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.870 -1.727 -1.209 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.780 -2.948 -1.909 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.428 -3.170 -0.266 1.00 16.11 H new ATOM 20 N GLN A 2 9.791 -8.498 -1.872 1.00 9.27 N ATOM 21 CA GLN A 2 8.514 -8.920 -1.300 1.00 9.07 C ATOM 22 C GLN A 2 8.136 -8.130 -0.109 1.00 8.72 C ATOM 23 O GLN A 2 8.897 -8.117 0.864 1.00 8.22 O ATOM 24 CB GLN A 2 8.853 -10.354 -0.882 1.00 14.46 C ATOM 25 CG GLN A 2 7.678 -11.229 -0.464 1.00 17.01 C ATOM 26 CD GLN A 2 8.039 -12.722 -0.114 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.013 -12.971 0.645 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.246 -13.707 -0.523 1.00 19.49 N ATOM 0 H GLN A 2 10.614 -8.770 -1.334 1.00 9.27 H new ATOM 0 HA GLN A 2 7.675 -8.807 -1.987 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.364 -10.841 -1.712 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.560 -10.311 -0.053 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.200 -10.775 0.404 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.943 -11.230 -1.269 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.457 -13.505 -1.138 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.426 -14.665 -0.222 1.00 19.49 H new ATOM 37 N ILE A 3 6.914 -7.587 -0.033 1.00 5.87 N ATOM 38 CA ILE A 3 6.289 -6.892 1.083 1.00 5.07 C ATOM 39 C ILE A 3 4.957 -7.588 1.406 1.00 4.01 C ATOM 40 O ILE A 3 4.266 -8.196 0.600 1.00 4.61 O ATOM 41 CB ILE A 3 6.025 -5.408 0.835 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.084 -5.227 -0.418 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.389 -4.777 0.642 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.587 -3.778 -0.546 1.00 10.83 C ATOM 0 H ILE A 3 6.283 -7.632 -0.833 1.00 5.87 H new ATOM 0 HA ILE A 3 6.994 -6.940 1.913 1.00 5.07 H new ATOM 0 HB ILE A 3 5.505 -4.927 1.664 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.623 -5.509 -1.323 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.230 -5.899 -0.333 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.273 -3.709 0.459 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.990 -4.929 1.539 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.886 -5.239 -0.211 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.942 -3.691 -1.420 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.026 -3.505 0.348 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.440 -3.109 -0.657 1.00 10.83 H new ATOM 56 N PHE A 4 4.550 -7.279 2.638 1.00 4.55 N ATOM 57 CA PHE A 4 3.421 -7.849 3.280 1.00 4.68 C ATOM 58 C PHE A 4 2.476 -6.716 3.565 1.00 5.30 C ATOM 59 O PHE A 4 2.919 -5.635 4.013 1.00 5.58 O ATOM 60 CB PHE A 4 3.724 -8.657 4.568 1.00 4.83 C ATOM 61 CG PHE A 4 4.947 -9.533 4.380 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.747 -10.547 3.401 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.125 -9.430 5.049 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.824 -11.384 3.048 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.148 -10.294 4.719 1.00 10.61 C ATOM 66 CZ PHE A 4 7.019 -11.272 3.723 1.00 8.90 C ATOM 0 H PHE A 4 5.035 -6.594 3.218 1.00 4.55 H new ATOM 0 HA PHE A 4 2.994 -8.596 2.611 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.886 -7.974 5.402 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.864 -9.276 4.825 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.781 -10.673 2.934 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.257 -8.688 5.822 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.713 -12.108 2.254 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.086 -10.214 5.249 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.844 -11.928 3.489 1.00 8.90 H new ATOM 76 N VAL A 5 1.183 -6.847 3.306 1.00 4.44 N ATOM 77 CA VAL A 5 0.227 -5.773 3.592 1.00 3.87 C ATOM 78 C VAL A 5 -0.837 -6.419 4.493 1.00 4.93 C ATOM 79 O VAL A 5 -1.426 -7.424 4.226 1.00 6.84 O ATOM 80 CB VAL A 5 -0.436 -5.192 2.293 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.240 -3.903 2.704 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.658 -4.726 1.352 1.00 9.13 C ATOM 0 H VAL A 5 0.766 -7.684 2.898 1.00 4.44 H new ATOM 0 HA VAL A 5 0.727 -4.927 4.063 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.068 -5.947 1.826 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.714 -3.473 1.822 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.005 -4.168 3.434 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.559 -3.173 3.141 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.209 -4.320 0.445 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.253 -3.954 1.840 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.299 -5.569 1.094 1.00 9.13 H new ATOM 92 N LYS A 6 -1.278 -5.837 5.602 1.00 6.04 N ATOM 93 CA LYS A 6 -2.246 -6.415 6.496 1.00 6.12 C ATOM 94 C LYS A 6 -3.564 -5.646 6.259 1.00 6.57 C ATOM 95 O LYS A 6 -3.694 -4.461 6.559 1.00 5.76 O ATOM 96 CB LYS A 6 -1.865 -6.311 8.021 1.00 7.45 C ATOM 97 CG LYS A 6 -0.549 -7.015 8.316 1.00 11.12 C ATOM 98 CD LYS A 6 -0.702 -8.577 8.561 1.00 14.54 C ATOM 99 CE LYS A 6 0.732 -9.158 8.484 1.00 18.84 C ATOM 100 NZ LYS A 6 0.595 -10.633 8.616 1.00 20.55 N ATOM 0 H LYS A 6 -0.954 -4.918 5.904 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.314 -7.482 6.283 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.790 -5.262 8.308 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.658 -6.751 8.626 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.135 -6.852 7.483 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.093 -6.561 9.196 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.154 -8.778 9.532 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.348 -9.029 7.809 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.207 -8.895 7.539 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.358 -8.753 9.279 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.502 -11.088 8.386 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.326 -10.871 9.592 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.139 -10.973 7.962 1.00 20.55 H new ATOM 114 N THR A 7 -4.553 -6.417 5.797 1.00 7.41 N ATOM 115 CA THR A 7 -5.941 -5.906 5.625 1.00 7.48 C ATOM 116 C THR A 7 -6.685 -5.661 6.967 1.00 8.75 C ATOM 117 O THR A 7 -6.171 -6.093 8.028 1.00 8.58 O ATOM 118 CB THR A 7 -6.844 -6.826 4.745 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.182 -8.067 5.425 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.202 -7.301 3.440 1.00 9.17 C ATOM 0 H THR A 7 -4.432 -7.395 5.533 1.00 7.41 H new ATOM 0 HA THR A 7 -5.787 -4.955 5.115 1.00 7.48 H new ATOM 0 HB THR A 7 -7.701 -6.183 4.545 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.872 -8.541 4.916 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.905 -7.934 2.898 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.943 -6.438 2.827 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.300 -7.870 3.664 1.00 9.17 H new ATOM 128 N LEU A 8 -7.781 -4.917 6.835 1.00 9.84 N ATOM 129 CA LEU A 8 -8.514 -4.508 7.948 1.00 14.15 C ATOM 130 C LEU A 8 -9.063 -5.598 8.829 1.00 17.37 C ATOM 131 O LEU A 8 -9.123 -5.402 10.032 1.00 17.01 O ATOM 132 CB LEU A 8 -9.689 -3.658 7.367 1.00 16.63 C ATOM 133 CG LEU A 8 -10.611 -2.905 8.338 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.277 -1.716 7.653 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.694 -3.787 8.987 1.00 18.59 C ATOM 0 H LEU A 8 -8.155 -4.601 5.940 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.841 -3.969 8.614 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.259 -2.925 6.685 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.312 -4.323 6.769 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.956 -2.561 9.139 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.924 -1.202 8.364 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.512 -1.027 7.294 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.872 -2.068 6.810 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.303 -3.181 9.658 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.327 -4.216 8.211 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.219 -4.589 9.552 1.00 18.59 H new ATOM 147 N THR A 9 -9.371 -6.804 8.290 1.00 18.33 N ATOM 148 CA THR A 9 -9.818 -7.956 9.052 1.00 19.24 C ATOM 149 C THR A 9 -8.651 -8.757 9.643 1.00 19.48 C ATOM 150 O THR A 9 -8.895 -9.584 10.525 1.00 23.14 O ATOM 151 CB THR A 9 -10.649 -8.861 8.218 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.986 -9.048 6.993 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.848 -8.001 7.847 1.00 19.70 C ATOM 0 H THR A 9 -9.308 -6.988 7.289 1.00 18.33 H new ATOM 0 HA THR A 9 -10.415 -7.560 9.874 1.00 19.24 H new ATOM 0 HB THR A 9 -10.869 -9.804 8.719 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.514 -9.645 6.423 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.532 -8.579 7.225 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.363 -7.684 8.754 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.510 -7.123 7.296 1.00 19.70 H new ATOM 161 N GLY A 10 -7.449 -8.514 9.105 1.00 19.43 N ATOM 162 CA GLY A 10 -6.235 -9.180 9.582 1.00 18.74 C ATOM 163 C GLY A 10 -5.718 -10.232 8.669 1.00 17.62 C ATOM 164 O GLY A 10 -4.828 -11.039 9.008 1.00 19.74 O ATOM 0 H GLY A 10 -7.293 -7.860 8.338 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.458 -8.430 9.731 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.438 -9.627 10.555 1.00 18.74 H new ATOM 168 N LYS A 11 -6.161 -10.276 7.407 1.00 13.56 N ATOM 169 CA LYS A 11 -5.510 -11.124 6.393 1.00 11.91 C ATOM 170 C LYS A 11 -4.193 -10.530 5.930 1.00 10.18 C ATOM 171 O LYS A 11 -4.005 -9.359 5.764 1.00 9.10 O ATOM 172 CB LYS A 11 -6.509 -11.275 5.224 1.00 13.43 C ATOM 173 CG LYS A 11 -6.090 -12.427 4.227 1.00 16.69 C ATOM 174 CD LYS A 11 -7.133 -12.515 3.081 1.00 17.92 C ATOM 175 CE LYS A 11 -6.933 -11.379 2.006 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.823 -11.683 0.865 1.00 21.93 N ATOM 0 H LYS A 11 -6.959 -9.742 7.063 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.263 -12.099 6.812 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.502 -11.484 5.622 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.575 -10.332 4.681 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.099 -12.228 3.819 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.032 -13.378 4.756 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.057 -13.489 2.597 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.137 -12.444 3.499 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.173 -10.404 2.430 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.893 -11.338 1.681 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.753 -10.924 0.158 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.538 -12.585 0.433 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.805 -11.754 1.200 1.00 21.93 H new ATOM 190 N THR A 12 -3.211 -11.387 5.647 1.00 9.63 N ATOM 191 CA THR A 12 -1.939 -10.986 5.039 1.00 9.85 C ATOM 192 C THR A 12 -2.038 -11.048 3.511 1.00 11.66 C ATOM 193 O THR A 12 -2.153 -12.084 2.929 1.00 12.33 O ATOM 194 CB THR A 12 -0.806 -11.952 5.394 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.601 -12.154 6.758 1.00 10.91 O ATOM 196 CG2 THR A 12 0.570 -11.476 4.899 1.00 9.63 C ATOM 0 H THR A 12 -3.275 -12.388 5.834 1.00 9.63 H new ATOM 0 HA THR A 12 -1.735 -9.982 5.411 1.00 9.85 H new ATOM 0 HB THR A 12 -1.152 -12.864 4.907 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.301 -12.508 6.904 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.330 -12.204 5.182 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.551 -11.374 3.814 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.805 -10.512 5.350 1.00 9.63 H new ATOM 204 N ILE A 13 -1.913 -9.969 2.824 1.00 10.42 N ATOM 205 CA ILE A 13 -1.557 -10.000 1.369 1.00 11.84 C ATOM 206 C ILE A 13 -0.082 -10.033 1.195 1.00 10.55 C ATOM 207 O ILE A 13 0.604 -9.373 2.041 1.00 11.92 O ATOM 208 CB ILE A 13 -2.113 -8.756 0.679 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.687 -8.671 0.924 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.748 -8.664 -0.800 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.147 -7.288 0.557 1.00 16.46 C ATOM 0 H ILE A 13 -2.043 -9.032 3.206 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.989 -10.897 0.925 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.637 -7.886 1.131 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.206 -9.416 0.321 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.921 -8.885 1.967 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.176 -7.756 -1.225 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.664 -8.638 -0.906 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.143 -9.532 -1.327 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.222 -7.208 0.717 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.632 -6.556 1.179 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.921 -7.096 -0.492 1.00 16.46 H new ATOM 223 N THR A 14 0.474 -10.686 0.164 1.00 9.39 N ATOM 224 CA THR A 14 1.844 -10.604 -0.223 1.00 9.63 C ATOM 225 C THR A 14 2.028 -10.042 -1.656 1.00 11.20 C ATOM 226 O THR A 14 1.547 -10.571 -2.656 1.00 11.63 O ATOM 227 CB THR A 14 2.502 -12.030 -0.058 1.00 10.38 C ATOM 228 OG1 THR A 14 2.343 -12.599 1.197 1.00 16.30 O ATOM 229 CG2 THR A 14 3.980 -11.738 -0.285 1.00 11.66 C ATOM 0 H THR A 14 -0.066 -11.309 -0.436 1.00 9.39 H new ATOM 0 HA THR A 14 2.350 -9.893 0.430 1.00 9.63 H new ATOM 0 HB THR A 14 2.043 -12.746 -0.739 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.776 -13.478 1.215 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.551 -12.662 -0.195 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.119 -11.320 -1.282 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.328 -11.023 0.460 1.00 11.66 H new ATOM 237 N LEU A 15 2.843 -8.949 -1.812 1.00 8.29 N ATOM 238 CA LEU A 15 2.974 -8.283 -3.079 1.00 9.03 C ATOM 239 C LEU A 15 4.556 -8.217 -3.449 1.00 8.59 C ATOM 240 O LEU A 15 5.388 -7.791 -2.617 1.00 7.79 O ATOM 241 CB LEU A 15 2.596 -6.790 -3.089 1.00 11.08 C ATOM 242 CG LEU A 15 1.163 -6.469 -2.669 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.986 -4.962 -2.645 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.072 -7.031 -3.587 1.00 15.27 C ATOM 0 H LEU A 15 3.400 -8.541 -1.061 1.00 8.29 H new ATOM 0 HA LEU A 15 2.319 -8.845 -3.745 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.278 -6.257 -2.427 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.757 -6.400 -4.094 1.00 11.08 H new ATOM 0 HG LEU A 15 1.038 -6.942 -1.695 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.034 -4.720 -2.346 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.686 -4.525 -1.933 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.179 -4.557 -3.638 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.908 -6.748 -3.203 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.198 -6.627 -4.592 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.149 -8.118 -3.620 1.00 15.27 H new ATOM 256 N GLU A 16 4.875 -8.618 -4.664 1.00 11.04 N ATOM 257 CA GLU A 16 6.152 -8.397 -5.353 1.00 11.50 C ATOM 258 C GLU A 16 6.217 -7.045 -6.061 1.00 10.13 C ATOM 259 O GLU A 16 5.361 -6.687 -6.878 1.00 9.83 O ATOM 260 CB GLU A 16 6.382 -9.427 -6.449 1.00 17.22 C ATOM 261 CG GLU A 16 7.624 -9.313 -7.325 1.00 23.33 C ATOM 262 CD GLU A 16 8.991 -9.637 -6.643 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.046 -10.668 -5.980 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.925 -8.779 -6.743 1.00 28.90 O ATOM 0 H GLU A 16 4.215 -9.140 -5.241 1.00 11.04 H new ATOM 0 HA GLU A 16 6.900 -8.461 -4.563 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.402 -10.410 -5.978 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.513 -9.406 -7.107 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.502 -9.980 -8.178 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.672 -8.298 -7.719 1.00 23.33 H new ATOM 271 N VAL A 17 7.072 -6.155 -5.542 1.00 8.99 N ATOM 272 CA VAL A 17 7.186 -4.825 -6.012 1.00 8.85 C ATOM 273 C VAL A 17 8.707 -4.492 -6.073 1.00 8.04 C ATOM 274 O VAL A 17 9.551 -5.021 -5.353 1.00 8.99 O ATOM 275 CB VAL A 17 6.523 -3.842 -5.097 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.983 -4.071 -5.061 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.125 -3.793 -3.641 1.00 10.54 C ATOM 0 H VAL A 17 7.703 -6.372 -4.770 1.00 8.99 H new ATOM 0 HA VAL A 17 6.699 -4.750 -6.984 1.00 8.85 H new ATOM 0 HB VAL A 17 6.732 -2.861 -5.524 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.523 -3.346 -4.390 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.573 -3.949 -6.064 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.773 -5.079 -4.704 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.585 -3.055 -3.048 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.029 -4.773 -3.174 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.178 -3.517 -3.692 1.00 10.54 H new ATOM 287 N GLU A 18 9.080 -3.556 -6.897 1.00 7.29 N ATOM 288 CA GLU A 18 10.465 -2.937 -6.955 1.00 7.08 C ATOM 289 C GLU A 18 10.480 -1.793 -6.003 1.00 6.45 C ATOM 290 O GLU A 18 9.487 -1.107 -5.899 1.00 5.28 O ATOM 291 CB GLU A 18 10.843 -2.511 -8.421 1.00 10.28 C ATOM 292 CG GLU A 18 11.148 -3.680 -9.329 1.00 12.65 C ATOM 293 CD GLU A 18 12.297 -4.603 -8.831 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.494 -4.216 -8.942 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.030 -5.774 -8.378 1.00 14.33 O ATOM 0 H GLU A 18 8.443 -3.158 -7.587 1.00 7.29 H new ATOM 0 HA GLU A 18 11.225 -3.662 -6.663 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.021 -1.935 -8.847 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.710 -1.852 -8.387 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.244 -4.278 -9.446 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.408 -3.298 -10.316 1.00 12.65 H new ATOM 302 N PRO A 19 11.612 -1.519 -5.395 1.00 7.24 N ATOM 303 CA PRO A 19 11.694 -0.431 -4.421 1.00 7.07 C ATOM 304 C PRO A 19 11.595 0.927 -5.114 1.00 6.65 C ATOM 305 O PRO A 19 11.425 1.913 -4.398 1.00 6.37 O ATOM 306 CB PRO A 19 13.158 -0.644 -3.866 1.00 7.61 C ATOM 307 CG PRO A 19 13.934 -1.246 -5.008 1.00 8.16 C ATOM 308 CD PRO A 19 12.937 -2.199 -5.606 1.00 7.49 C ATOM 0 HA PRO A 19 10.905 -0.441 -3.669 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.598 0.300 -3.546 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.158 -1.305 -2.999 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.255 -0.490 -5.725 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.832 -1.760 -4.664 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.134 -2.370 -6.664 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.970 -3.171 -5.114 1.00 7.49 H new ATOM 316 N SER A 20 11.722 1.025 -6.422 1.00 6.80 N ATOM 317 CA SER A 20 11.539 2.259 -7.197 1.00 6.28 C ATOM 318 C SER A 20 10.136 2.433 -7.612 1.00 8.45 C ATOM 319 O SER A 20 9.797 3.484 -8.095 1.00 7.26 O ATOM 320 CB SER A 20 12.525 2.315 -8.393 1.00 8.57 C ATOM 321 OG SER A 20 13.906 2.200 -8.067 1.00 11.13 O ATOM 0 H SER A 20 11.964 0.224 -7.006 1.00 6.80 H new ATOM 0 HA SER A 20 11.775 3.104 -6.550 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.268 1.516 -9.088 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.373 3.257 -8.920 1.00 8.57 H new ATOM 0 HG SER A 20 14.441 2.245 -8.887 1.00 11.13 H new ATOM 327 N ASP A 21 9.231 1.428 -7.501 1.00 7.50 N ATOM 328 CA ASP A 21 7.796 1.693 -7.847 1.00 7.70 C ATOM 329 C ASP A 21 7.080 2.696 -7.031 1.00 7.08 C ATOM 330 O ASP A 21 7.314 2.912 -5.857 1.00 8.11 O ATOM 331 CB ASP A 21 7.129 0.296 -7.881 1.00 11.00 C ATOM 332 CG ASP A 21 7.625 -0.732 -8.900 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.047 -0.298 -9.999 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.474 -1.967 -8.644 1.00 18.03 O ATOM 0 H ASP A 21 9.442 0.478 -7.194 1.00 7.50 H new ATOM 0 HA ASP A 21 7.743 2.200 -8.811 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.234 -0.144 -6.890 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.063 0.443 -8.053 1.00 11.00 H new ATOM 339 N THR A 22 6.062 3.347 -7.619 1.00 5.37 N ATOM 340 CA THR A 22 5.190 4.293 -6.906 1.00 6.01 C ATOM 341 C THR A 22 4.127 3.539 -5.995 1.00 8.01 C ATOM 342 O THR A 22 3.759 2.398 -6.255 1.00 8.11 O ATOM 343 CB THR A 22 4.528 5.305 -7.801 1.00 8.92 C ATOM 344 OG1 THR A 22 3.553 4.765 -8.659 1.00 10.22 O ATOM 345 CG2 THR A 22 5.693 5.948 -8.635 1.00 9.65 C ATOM 0 H THR A 22 5.821 3.231 -8.603 1.00 5.37 H new ATOM 0 HA THR A 22 5.852 4.864 -6.255 1.00 6.01 H new ATOM 0 HB THR A 22 3.983 6.026 -7.192 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.282 5.442 -9.313 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.285 6.698 -9.312 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.407 6.419 -7.959 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.197 5.173 -9.213 1.00 9.65 H new ATOM 353 N ILE A 23 3.573 4.213 -4.969 1.00 8.32 N ATOM 354 CA ILE A 23 2.494 3.771 -4.183 1.00 9.92 C ATOM 355 C ILE A 23 1.213 3.661 -5.019 1.00 10.01 C ATOM 356 O ILE A 23 0.439 2.741 -4.808 1.00 8.71 O ATOM 357 CB ILE A 23 2.219 4.776 -3.025 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.434 4.828 -2.031 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.934 4.296 -2.301 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.823 3.488 -1.295 1.00 12.30 C ATOM 0 H ILE A 23 3.915 5.130 -4.681 1.00 8.32 H new ATOM 0 HA ILE A 23 2.763 2.793 -3.785 1.00 9.92 H new ATOM 0 HB ILE A 23 2.086 5.785 -3.415 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.307 5.176 -2.583 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.217 5.579 -1.272 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.704 4.974 -1.479 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.102 4.284 -3.005 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.091 3.291 -1.909 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.676 3.667 -0.641 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.977 3.140 -0.702 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.084 2.730 -2.033 1.00 12.30 H new ATOM 372 N GLU A 24 1.035 4.480 -6.116 1.00 9.54 N ATOM 373 CA GLU A 24 0.020 4.282 -7.124 1.00 11.81 C ATOM 374 C GLU A 24 0.031 2.962 -7.804 1.00 11.14 C ATOM 375 O GLU A 24 -0.946 2.323 -7.881 1.00 10.62 O ATOM 376 CB GLU A 24 0.139 5.371 -8.165 1.00 19.24 C ATOM 377 CG GLU A 24 -0.936 5.180 -9.330 1.00 27.76 C ATOM 378 CD GLU A 24 -0.834 6.285 -10.397 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.068 6.118 -11.315 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.549 7.327 -10.286 1.00 36.51 O ATOM 0 H GLU A 24 1.620 5.297 -6.292 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.927 4.319 -6.585 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.001 6.344 -7.694 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.143 5.364 -8.589 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.791 4.207 -9.801 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.938 5.181 -8.902 1.00 27.76 H new ATOM 387 N ASN A 25 1.245 2.488 -8.220 1.00 9.43 N ATOM 388 CA ASN A 25 1.524 1.185 -8.715 1.00 10.96 C ATOM 389 C ASN A 25 1.373 0.068 -7.724 1.00 9.68 C ATOM 390 O ASN A 25 0.922 -1.045 -8.029 1.00 9.33 O ATOM 391 CB ASN A 25 2.909 1.224 -9.399 1.00 16.78 C ATOM 392 CG ASN A 25 3.134 0.060 -10.293 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.491 -1.001 -9.795 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.020 0.240 -11.666 1.00 24.70 N ATOM 0 H ASN A 25 2.079 3.075 -8.200 1.00 9.43 H new ATOM 0 HA ASN A 25 0.753 0.931 -9.443 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.000 2.144 -9.976 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.687 1.248 -8.636 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.237 -0.528 -12.301 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.719 1.140 -12.039 1.00 24.70 H new ATOM 401 N VAL A 26 1.713 0.270 -6.423 1.00 6.52 N ATOM 402 CA VAL A 26 1.382 -0.650 -5.348 1.00 5.53 C ATOM 403 C VAL A 26 -0.112 -0.789 -5.126 1.00 4.42 C ATOM 404 O VAL A 26 -0.748 -1.832 -5.064 1.00 3.40 O ATOM 405 CB VAL A 26 2.053 -0.278 -4.019 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.884 -1.391 -2.971 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.593 -0.239 -4.343 1.00 8.12 C ATOM 0 H VAL A 26 2.230 1.091 -6.108 1.00 6.52 H new ATOM 0 HA VAL A 26 1.774 -1.611 -5.682 1.00 5.53 H new ATOM 0 HB VAL A 26 1.628 0.649 -3.634 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.371 -1.094 -2.043 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.823 -1.559 -2.786 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.338 -2.311 -3.341 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.148 0.021 -3.442 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.915 -1.218 -4.698 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.784 0.507 -5.114 1.00 8.12 H new ATOM 417 N LYS A 27 -0.922 0.334 -5.207 1.00 2.64 N ATOM 418 CA LYS A 27 -2.360 0.310 -5.086 1.00 4.14 C ATOM 419 C LYS A 27 -2.995 -0.377 -6.295 1.00 5.58 C ATOM 420 O LYS A 27 -4.107 -0.974 -6.288 1.00 4.11 O ATOM 421 CB LYS A 27 -2.979 1.707 -4.978 1.00 3.97 C ATOM 422 CG LYS A 27 -2.748 2.397 -3.581 1.00 7.45 C ATOM 423 CD LYS A 27 -3.580 3.676 -3.595 1.00 9.02 C ATOM 424 CE LYS A 27 -3.270 4.650 -2.453 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.217 5.787 -2.609 1.00 15.47 N ATOM 0 H LYS A 27 -0.548 1.271 -5.361 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.562 -0.238 -4.166 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.561 2.341 -5.760 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.050 1.635 -5.165 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.056 1.741 -2.767 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.692 2.621 -3.427 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.421 4.187 -4.544 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.636 3.408 -3.550 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.398 4.167 -1.484 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.237 4.994 -2.504 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.050 6.484 -1.855 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.070 6.237 -3.535 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.194 5.436 -2.546 1.00 15.47 H new ATOM 439 N ALA A 28 -2.302 -0.173 -7.387 1.00 6.61 N ATOM 440 CA ALA A 28 -2.801 -0.759 -8.632 1.00 7.74 C ATOM 441 C ALA A 28 -2.653 -2.297 -8.505 1.00 9.17 C ATOM 442 O ALA A 28 -3.562 -3.057 -8.873 1.00 11.45 O ATOM 443 CB ALA A 28 -2.117 -0.298 -9.884 1.00 7.68 C ATOM 0 H ALA A 28 -1.436 0.362 -7.455 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.834 -0.430 -8.745 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.564 -0.793 -10.746 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.232 0.781 -9.985 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.057 -0.546 -9.832 1.00 7.68 H new ATOM 449 N LYS A 29 -1.490 -2.795 -7.930 1.00 8.96 N ATOM 450 CA LYS A 29 -1.140 -4.188 -7.608 1.00 7.90 C ATOM 451 C LYS A 29 -2.149 -4.721 -6.655 1.00 6.92 C ATOM 452 O LYS A 29 -2.664 -5.777 -6.844 1.00 6.87 O ATOM 453 CB LYS A 29 0.326 -4.211 -7.091 1.00 10.28 C ATOM 454 CG LYS A 29 0.908 -5.666 -6.966 1.00 14.94 C ATOM 455 CD LYS A 29 1.541 -6.216 -8.198 1.00 19.69 C ATOM 456 CE LYS A 29 2.874 -5.427 -8.460 1.00 22.63 C ATOM 457 NZ LYS A 29 3.559 -6.161 -9.604 1.00 24.98 N ATOM 0 H LYS A 29 -0.734 -2.161 -7.671 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.170 -4.847 -8.476 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.954 -3.631 -7.768 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.370 -3.723 -6.118 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.647 -5.674 -6.165 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.102 -6.335 -6.664 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.746 -7.280 -8.077 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.867 -6.116 -9.049 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.671 -4.389 -8.725 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.503 -5.412 -7.570 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.457 -5.688 -9.832 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.748 -7.144 -9.322 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.941 -6.153 -10.441 1.00 24.98 H new ATOM 471 N ILE A 30 -2.630 -3.951 -5.643 1.00 4.57 N ATOM 472 CA ILE A 30 -3.705 -4.368 -4.759 1.00 5.58 C ATOM 473 C ILE A 30 -4.972 -4.514 -5.539 1.00 7.26 C ATOM 474 O ILE A 30 -5.635 -5.531 -5.333 1.00 9.46 O ATOM 475 CB ILE A 30 -3.883 -3.589 -3.431 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.517 -3.517 -2.718 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.020 -4.209 -2.534 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.355 -2.426 -1.656 1.00 2.00 C ATOM 0 H ILE A 30 -2.268 -3.021 -5.432 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.393 -5.339 -4.375 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.216 -2.573 -3.640 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.327 -4.482 -2.247 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.745 -3.374 -3.474 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.112 -3.633 -1.613 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.966 -4.181 -3.075 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.770 -5.242 -2.292 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.353 -2.480 -1.229 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.503 -1.448 -2.114 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.094 -2.573 -0.868 1.00 2.00 H new ATOM 490 N GLN A 31 -5.370 -3.561 -6.409 1.00 7.06 N ATOM 491 CA GLN A 31 -6.596 -3.670 -7.181 1.00 8.67 C ATOM 492 C GLN A 31 -6.566 -4.923 -8.005 1.00 10.90 C ATOM 493 O GLN A 31 -7.581 -5.646 -8.083 1.00 9.63 O ATOM 494 CB GLN A 31 -6.823 -2.470 -8.060 1.00 9.12 C ATOM 495 CG GLN A 31 -8.341 -2.251 -8.439 1.00 10.76 C ATOM 496 CD GLN A 31 -8.598 -1.030 -9.320 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.682 -0.433 -9.892 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.879 -0.560 -9.480 1.00 14.76 N ATOM 0 H GLN A 31 -4.844 -2.705 -6.585 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.428 -3.713 -6.478 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.451 -1.580 -7.552 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.240 -2.582 -8.974 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.707 -3.139 -8.954 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.922 -2.152 -7.522 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.657 -1.033 -9.020 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.052 0.262 -10.059 1.00 14.76 H new ATOM 507 N ASP A 32 -5.398 -5.214 -8.590 1.00 10.93 N ATOM 508 CA ASP A 32 -5.059 -6.352 -9.363 1.00 14.01 C ATOM 509 C ASP A 32 -5.151 -7.631 -8.602 1.00 14.04 C ATOM 510 O ASP A 32 -5.472 -8.721 -9.106 1.00 13.39 O ATOM 511 CB ASP A 32 -3.626 -6.170 -9.957 1.00 18.01 C ATOM 512 CG ASP A 32 -3.293 -7.092 -11.120 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.003 -7.043 -12.184 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.403 -7.905 -10.897 1.00 26.29 O ATOM 0 H ASP A 32 -4.607 -4.576 -8.508 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.792 -6.426 -10.166 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.514 -5.137 -10.287 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.896 -6.332 -9.164 1.00 18.01 H new ATOM 519 N LYS A 33 -4.880 -7.623 -7.277 1.00 14.22 N ATOM 520 CA LYS A 33 -4.947 -8.728 -6.381 1.00 14.00 C ATOM 521 C LYS A 33 -6.318 -9.019 -5.755 1.00 12.37 C ATOM 522 O LYS A 33 -6.883 -10.113 -5.780 1.00 12.17 O ATOM 523 CB LYS A 33 -3.924 -8.507 -5.226 1.00 18.62 C ATOM 524 CG LYS A 33 -3.794 -9.790 -4.320 1.00 24.00 C ATOM 525 CD LYS A 33 -3.269 -11.067 -4.925 1.00 27.61 C ATOM 526 CE LYS A 33 -1.904 -11.096 -5.534 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.527 -12.449 -6.050 1.00 30.06 N ATOM 0 H LYS A 33 -4.591 -6.767 -6.803 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.721 -9.596 -7.000 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.950 -8.255 -5.644 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.238 -7.660 -4.617 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.148 -9.535 -3.480 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.781 -10.003 -3.909 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.294 -11.829 -4.146 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.975 -11.376 -5.696 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.860 -10.376 -6.351 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.173 -10.779 -4.790 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.572 -12.410 -6.461 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.540 -13.135 -5.268 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.206 -12.744 -6.780 1.00 30.06 H new ATOM 541 N GLU A 34 -6.958 -8.004 -5.182 1.00 10.11 N ATOM 542 CA GLU A 34 -8.135 -8.116 -4.330 1.00 10.07 C ATOM 543 C GLU A 34 -9.344 -7.492 -4.900 1.00 9.32 C ATOM 544 O GLU A 34 -10.446 -7.810 -4.412 1.00 11.61 O ATOM 545 CB GLU A 34 -7.773 -7.478 -2.990 1.00 14.77 C ATOM 546 CG GLU A 34 -6.580 -8.060 -2.173 1.00 18.75 C ATOM 547 CD GLU A 34 -6.858 -9.441 -1.703 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.822 -9.499 -0.903 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.197 -10.442 -1.996 1.00 25.19 O ATOM 0 H GLU A 34 -6.656 -7.038 -5.305 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.393 -9.169 -4.222 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.563 -6.424 -3.173 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.658 -7.521 -2.355 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.682 -8.060 -2.790 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.378 -7.418 -1.316 1.00 18.75 H new ATOM 556 N GLY A 35 -9.158 -6.570 -5.925 1.00 7.22 N ATOM 557 CA GLY A 35 -10.321 -5.782 -6.456 1.00 6.29 C ATOM 558 C GLY A 35 -10.778 -4.641 -5.559 1.00 6.93 C ATOM 559 O GLY A 35 -11.932 -4.209 -5.750 1.00 7.41 O ATOM 0 H GLY A 35 -8.262 -6.371 -6.370 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.052 -5.375 -7.431 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.160 -6.460 -6.615 1.00 6.29 H new ATOM 563 N ILE A 36 -9.861 -4.104 -4.663 1.00 5.86 N ATOM 564 CA ILE A 36 -10.289 -3.001 -3.801 1.00 6.07 C ATOM 565 C ILE A 36 -9.951 -1.691 -4.547 1.00 6.36 C ATOM 566 O ILE A 36 -8.836 -1.565 -5.063 1.00 6.18 O ATOM 567 CB ILE A 36 -9.602 -3.004 -2.430 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.918 -4.326 -1.791 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.134 -1.801 -1.602 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.011 -4.673 -0.575 1.00 9.49 C ATOM 0 H ILE A 36 -8.896 -4.412 -4.546 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.356 -3.104 -3.603 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.520 -2.891 -2.499 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.958 -4.322 -1.466 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.821 -5.112 -2.540 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.653 -1.791 -0.624 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.910 -0.872 -2.126 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.212 -1.895 -1.475 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.302 -5.642 -0.169 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.970 -4.712 -0.897 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.125 -3.909 0.194 1.00 9.49 H new ATOM 582 N PRO A 37 -10.907 -0.687 -4.700 1.00 8.65 N ATOM 583 CA PRO A 37 -10.629 0.478 -5.533 1.00 9.18 C ATOM 584 C PRO A 37 -9.404 1.297 -5.028 1.00 9.85 C ATOM 585 O PRO A 37 -9.323 1.482 -3.821 1.00 8.51 O ATOM 586 CB PRO A 37 -11.889 1.302 -5.301 1.00 11.42 C ATOM 587 CG PRO A 37 -13.016 0.202 -5.225 1.00 9.27 C ATOM 588 CD PRO A 37 -12.337 -0.898 -4.510 1.00 8.33 C ATOM 0 HA PRO A 37 -10.401 0.214 -6.566 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.828 1.883 -4.381 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.066 2.007 -6.113 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.894 0.557 -4.685 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.353 -0.104 -6.216 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.594 -0.890 -3.451 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.643 -1.866 -4.905 1.00 8.33 H new ATOM 596 N PRO A 38 -8.517 1.886 -5.882 1.00 8.71 N ATOM 597 CA PRO A 38 -7.191 2.478 -5.428 1.00 9.08 C ATOM 598 C PRO A 38 -7.517 3.820 -4.796 1.00 9.28 C ATOM 599 O PRO A 38 -6.663 4.304 -4.013 1.00 6.50 O ATOM 600 CB PRO A 38 -6.450 2.447 -6.738 1.00 10.31 C ATOM 601 CG PRO A 38 -7.490 2.673 -7.806 1.00 10.81 C ATOM 602 CD PRO A 38 -8.695 1.928 -7.352 1.00 12.00 C ATOM 0 HA PRO A 38 -6.586 1.995 -4.661 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.682 3.220 -6.771 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.946 1.491 -6.879 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.707 3.735 -7.924 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.145 2.308 -8.773 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.616 2.438 -7.634 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.739 0.928 -7.783 1.00 12.00 H new ATOM 610 N ASP A 39 -8.669 4.406 -5.088 1.00 11.20 N ATOM 611 CA ASP A 39 -9.074 5.677 -4.497 1.00 14.96 C ATOM 612 C ASP A 39 -9.602 5.520 -3.073 1.00 13.99 C ATOM 613 O ASP A 39 -9.543 6.442 -2.216 1.00 13.75 O ATOM 614 CB ASP A 39 -10.091 6.427 -5.388 1.00 24.16 C ATOM 615 CG ASP A 39 -9.613 6.698 -6.807 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.608 7.434 -7.039 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.261 6.170 -7.746 1.00 35.55 O ATOM 0 H ASP A 39 -9.350 4.016 -5.740 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.171 6.285 -4.436 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.012 5.845 -5.434 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.337 7.377 -4.914 1.00 24.16 H new ATOM 622 N GLN A 40 -10.088 4.258 -2.743 1.00 11.60 N ATOM 623 CA GLN A 40 -10.562 3.976 -1.406 1.00 10.76 C ATOM 624 C GLN A 40 -9.457 3.398 -0.469 1.00 8.01 C ATOM 625 O GLN A 40 -9.578 3.492 0.711 1.00 8.96 O ATOM 626 CB GLN A 40 -11.743 2.977 -1.494 1.00 11.14 C ATOM 627 CG GLN A 40 -12.922 3.775 -2.250 1.00 14.85 C ATOM 628 CD GLN A 40 -14.218 2.991 -2.487 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.634 2.092 -1.702 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.875 3.303 -3.604 1.00 18.16 N ATOM 0 H GLN A 40 -10.143 3.473 -3.392 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.878 4.922 -0.967 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.459 2.080 -2.045 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.060 2.655 -0.502 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.161 4.666 -1.670 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.544 4.114 -3.215 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.516 4.033 -4.220 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.736 2.812 -3.843 1.00 18.16 H new ATOM 639 N GLN A 41 -8.276 2.978 -0.977 1.00 6.52 N ATOM 640 CA GLN A 41 -7.238 2.359 -0.272 1.00 3.87 C ATOM 641 C GLN A 41 -6.425 3.357 0.486 1.00 4.79 C ATOM 642 O GLN A 41 -5.990 4.316 -0.112 1.00 6.34 O ATOM 643 CB GLN A 41 -6.250 1.600 -1.242 1.00 4.20 C ATOM 644 CG GLN A 41 -6.859 0.395 -1.960 1.00 3.20 C ATOM 645 CD GLN A 41 -5.778 -0.217 -2.943 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.587 -0.188 -2.665 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.222 -0.670 -4.141 1.00 7.13 N ATOM 0 H GLN A 41 -8.052 3.092 -1.966 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.716 1.656 0.410 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.884 2.304 -1.989 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.385 1.265 -0.669 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.177 -0.355 -1.235 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.746 0.697 -2.516 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.222 -0.682 -4.343 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.556 -0.999 -4.840 1.00 7.13 H new ATOM 656 N ARG A 42 -6.215 3.153 1.806 1.00 5.73 N ATOM 657 CA ARG A 42 -5.392 3.989 2.588 1.00 6.97 C ATOM 658 C ARG A 42 -4.309 3.123 3.168 1.00 7.15 C ATOM 659 O ARG A 42 -4.561 2.267 3.989 1.00 7.33 O ATOM 660 CB ARG A 42 -6.285 4.674 3.720 1.00 13.23 C ATOM 661 CG ARG A 42 -7.378 5.588 3.113 1.00 21.27 C ATOM 662 CD ARG A 42 -8.210 6.245 4.188 1.00 26.14 C ATOM 663 NE ARG A 42 -8.972 7.353 3.502 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.511 8.377 4.172 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.658 8.421 5.499 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.969 9.443 3.481 1.00 36.39 N ATOM 0 H ARG A 42 -6.635 2.384 2.328 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.935 4.788 2.004 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.754 3.902 4.330 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.647 5.260 4.382 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.911 6.354 2.494 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.023 5.001 2.460 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.891 5.529 4.647 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.579 6.640 4.984 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.080 7.319 2.488 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.349 7.636 6.073 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.080 9.239 5.939 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.901 9.459 2.463 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.383 10.232 3.977 1.00 36.39 H new ATOM 680 N LEU A 43 -3.088 3.334 2.744 1.00 4.65 N ATOM 681 CA LEU A 43 -1.946 2.472 3.133 1.00 3.51 C ATOM 682 C LEU A 43 -1.130 3.294 4.095 1.00 5.56 C ATOM 683 O LEU A 43 -0.755 4.438 3.858 1.00 4.19 O ATOM 684 CB LEU A 43 -1.059 2.141 1.868 1.00 3.74 C ATOM 685 CG LEU A 43 -1.789 1.177 0.963 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.149 1.202 -0.478 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.808 -0.280 1.506 1.00 6.41 C ATOM 0 H LEU A 43 -2.834 4.100 2.120 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.287 1.532 3.567 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.828 3.058 1.326 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.109 1.709 2.183 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.826 1.511 0.922 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.681 0.504 -1.125 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.223 2.208 -0.891 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.100 0.911 -0.415 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.348 -0.921 0.809 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.785 -0.641 1.614 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.304 -0.300 2.476 1.00 6.41 H new ATOM 699 N ILE A 44 -0.879 2.686 5.267 1.00 4.58 N ATOM 700 CA ILE A 44 -0.363 3.196 6.502 1.00 5.55 C ATOM 701 C ILE A 44 0.891 2.395 6.774 1.00 5.46 C ATOM 702 O ILE A 44 0.918 1.159 6.705 1.00 6.04 O ATOM 703 CB ILE A 44 -1.263 2.999 7.687 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.689 3.340 7.339 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.673 3.728 8.980 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.911 4.758 6.826 1.00 13.90 C ATOM 0 H ILE A 44 -1.068 1.688 5.357 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.225 4.271 6.389 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.292 1.944 7.960 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.039 2.638 6.582 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.308 3.190 8.224 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.344 3.570 9.825 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.309 3.316 9.214 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.581 4.796 8.785 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.968 4.903 6.604 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.598 5.473 7.587 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.325 4.913 5.920 1.00 13.90 H new ATOM 718 N PHE A 45 2.038 3.034 6.979 1.00 6.75 N ATOM 719 CA PHE A 45 3.211 2.276 7.490 1.00 4.70 C ATOM 720 C PHE A 45 4.043 3.256 8.291 1.00 6.34 C ATOM 721 O PHE A 45 4.350 4.345 7.820 1.00 5.45 O ATOM 722 CB PHE A 45 3.886 1.658 6.320 1.00 5.51 C ATOM 723 CG PHE A 45 5.359 1.394 6.554 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.745 0.328 7.333 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.296 2.231 6.031 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.037 -0.071 7.461 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.666 1.932 6.208 1.00 6.64 C ATOM 728 CZ PHE A 45 8.028 0.697 6.849 1.00 6.84 C ATOM 0 H PHE A 45 2.195 4.028 6.813 1.00 6.75 H new ATOM 0 HA PHE A 45 2.972 1.451 8.161 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.389 0.719 6.076 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.773 2.312 5.456 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.983 -0.219 7.869 1.00 6.86 H new ATOM 0 HD2 PHE A 45 5.996 3.114 5.487 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.290 -0.959 8.021 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.427 2.619 5.868 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.056 0.367 6.857 1.00 6.84 H new ATOM 738 N ALA A 46 4.458 2.854 9.496 1.00 6.53 N ATOM 739 CA ALA A 46 5.383 3.635 10.333 1.00 7.15 C ATOM 740 C ALA A 46 4.800 4.996 10.621 1.00 9.00 C ATOM 741 O ALA A 46 5.410 6.068 10.380 1.00 11.15 O ATOM 742 CB ALA A 46 6.838 3.680 9.829 1.00 8.99 C ATOM 0 H ALA A 46 4.163 1.976 9.923 1.00 6.53 H new ATOM 0 HA ALA A 46 5.477 3.098 11.277 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.441 4.278 10.512 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.239 2.667 9.783 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.865 4.126 8.835 1.00 8.99 H new ATOM 748 N GLY A 47 3.574 5.054 11.191 1.00 9.35 N ATOM 749 CA GLY A 47 3.010 6.253 11.820 1.00 11.68 C ATOM 750 C GLY A 47 2.348 7.245 10.803 1.00 11.14 C ATOM 751 O GLY A 47 1.890 8.289 11.194 1.00 13.93 O ATOM 0 H GLY A 47 2.945 4.252 11.223 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.265 5.950 12.556 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.800 6.774 12.361 1.00 11.68 H new ATOM 755 N LYS A 48 2.361 6.928 9.482 1.00 10.47 N ATOM 756 CA LYS A 48 1.902 7.877 8.460 1.00 8.82 C ATOM 757 C LYS A 48 1.223 7.089 7.334 1.00 7.68 C ATOM 758 O LYS A 48 1.496 5.899 7.097 1.00 6.47 O ATOM 759 CB LYS A 48 2.951 8.858 8.046 1.00 9.74 C ATOM 760 CG LYS A 48 4.047 8.187 7.158 1.00 14.14 C ATOM 761 CD LYS A 48 5.285 9.080 6.900 1.00 16.32 C ATOM 762 CE LYS A 48 6.224 9.116 8.076 1.00 20.04 C ATOM 763 NZ LYS A 48 6.707 7.845 8.532 1.00 23.92 N ATOM 0 H LYS A 48 2.682 6.033 9.113 1.00 10.47 H new ATOM 0 HA LYS A 48 1.147 8.543 8.877 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.487 9.677 7.496 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.415 9.291 8.932 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.372 7.263 7.637 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.605 7.911 6.200 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.819 8.711 6.024 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.956 10.094 6.670 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.081 9.735 7.813 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.717 9.609 8.906 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.617 7.974 9.018 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.018 7.428 9.190 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.836 7.210 7.718 1.00 23.92 H new ATOM 777 N GLN A 49 0.402 7.836 6.499 1.00 8.89 N ATOM 778 CA GLN A 49 -0.277 7.422 5.296 1.00 7.18 C ATOM 779 C GLN A 49 0.574 7.689 4.056 1.00 8.23 C ATOM 780 O GLN A 49 1.157 8.767 3.793 1.00 9.70 O ATOM 781 CB GLN A 49 -1.665 7.975 5.216 1.00 11.67 C ATOM 782 CG GLN A 49 -2.436 7.393 3.970 1.00 15.82 C ATOM 783 CD GLN A 49 -3.738 8.122 3.776 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.536 8.189 4.730 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.011 8.773 2.613 1.00 20.67 N ATOM 0 H GLN A 49 0.212 8.816 6.707 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.407 6.341 5.336 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.209 7.734 6.129 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.623 9.062 5.147 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.821 7.489 3.075 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.625 6.329 4.115 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.357 8.718 1.832 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.869 9.316 2.522 1.00 20.67 H new ATOM 794 N LEU A 50 0.727 6.614 3.274 1.00 6.51 N ATOM 795 CA LEU A 50 1.597 6.616 2.096 1.00 7.41 C ATOM 796 C LEU A 50 0.867 7.273 0.946 1.00 8.27 C ATOM 797 O LEU A 50 -0.292 6.967 0.742 1.00 8.34 O ATOM 798 CB LEU A 50 2.084 5.196 1.777 1.00 7.13 C ATOM 799 CG LEU A 50 2.558 4.391 3.055 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.673 2.940 2.656 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.815 4.931 3.688 1.00 9.11 C ATOM 0 H LEU A 50 0.254 5.725 3.439 1.00 6.51 H new ATOM 0 HA LEU A 50 2.497 7.199 2.290 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.280 4.646 1.288 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.909 5.254 1.067 1.00 7.13 H new ATOM 0 HG LEU A 50 1.817 4.506 3.846 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.999 2.351 3.514 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.703 2.578 2.315 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.401 2.841 1.851 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.074 4.326 4.557 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.630 4.896 2.965 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.651 5.962 4.000 1.00 9.11 H new ATOM 813 N GLU A 51 1.481 8.250 0.230 1.00 9.43 N ATOM 814 CA GLU A 51 0.917 9.027 -0.928 1.00 11.90 C ATOM 815 C GLU A 51 1.287 8.543 -2.355 1.00 11.49 C ATOM 816 O GLU A 51 2.432 8.334 -2.745 1.00 9.88 O ATOM 817 CB GLU A 51 1.605 10.482 -0.890 1.00 16.56 C ATOM 818 CG GLU A 51 1.223 11.505 -1.998 1.00 26.06 C ATOM 819 CD GLU A 51 1.798 12.909 -1.691 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.516 13.449 -0.621 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.491 13.413 -2.600 1.00 33.44 O ATOM 0 H GLU A 51 2.434 8.540 0.449 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.162 8.949 -0.797 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.374 10.934 0.075 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.685 10.341 -0.926 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.599 11.159 -2.961 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.138 11.565 -2.082 1.00 26.06 H new ATOM 828 N ASP A 52 0.328 8.417 -3.252 1.00 12.71 N ATOM 829 CA ASP A 52 0.258 7.728 -4.501 1.00 16.56 C ATOM 830 C ASP A 52 1.419 7.953 -5.476 1.00 15.83 C ATOM 831 O ASP A 52 1.996 7.099 -6.111 1.00 17.21 O ATOM 832 CB ASP A 52 -1.089 8.192 -5.175 1.00 21.05 C ATOM 833 CG ASP A 52 -2.284 7.920 -4.274 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.342 8.406 -3.119 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.155 7.115 -4.712 1.00 25.82 O ATOM 0 H ASP A 52 -0.563 8.880 -3.075 1.00 12.71 H new ATOM 0 HA ASP A 52 0.314 6.662 -4.283 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.037 9.257 -5.400 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.221 7.672 -6.124 1.00 21.05 H new ATOM 840 N GLY A 53 1.859 9.223 -5.566 1.00 15.00 N ATOM 841 CA GLY A 53 2.943 9.664 -6.445 1.00 11.77 C ATOM 842 C GLY A 53 4.332 9.627 -5.946 1.00 11.10 C ATOM 843 O GLY A 53 5.197 10.121 -6.664 1.00 11.25 O ATOM 0 H GLY A 53 1.458 9.982 -5.015 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.902 9.055 -7.348 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.728 10.690 -6.742 1.00 11.77 H new ATOM 847 N ARG A 54 4.593 9.098 -4.725 1.00 8.53 N ATOM 848 CA ARG A 54 5.872 8.940 -4.152 1.00 9.05 C ATOM 849 C ARG A 54 6.283 7.424 -4.203 1.00 8.96 C ATOM 850 O ARG A 54 5.419 6.526 -4.410 1.00 11.60 O ATOM 851 CB ARG A 54 5.920 9.381 -2.659 1.00 7.97 C ATOM 852 CG ARG A 54 5.346 10.787 -2.489 1.00 9.62 C ATOM 853 CD ARG A 54 5.811 11.445 -1.144 1.00 12.20 C ATOM 854 NE ARG A 54 4.880 12.490 -0.655 1.00 18.23 N ATOM 855 CZ ARG A 54 4.808 12.843 0.609 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.784 12.599 1.480 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.660 13.315 1.092 1.00 23.38 N ATOM 0 H ARG A 54 3.848 8.765 -4.113 1.00 8.53 H new ATOM 0 HA ARG A 54 6.551 9.570 -4.727 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.355 8.677 -2.049 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.949 9.358 -2.301 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.658 11.411 -3.326 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.257 10.741 -2.514 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.911 10.671 -0.383 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.799 11.884 -1.284 1.00 12.20 H new ATOM 0 HE ARG A 54 4.270 12.954 -1.328 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.631 12.120 1.175 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.685 12.891 2.452 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.847 13.400 0.482 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.594 13.592 2.072 1.00 23.38 H new ATOM 871 N THR A 55 7.610 7.097 -3.988 1.00 9.05 N ATOM 872 CA THR A 55 8.033 5.660 -4.025 1.00 9.03 C ATOM 873 C THR A 55 8.178 4.952 -2.745 1.00 8.15 C ATOM 874 O THR A 55 8.085 5.566 -1.669 1.00 5.91 O ATOM 875 CB THR A 55 9.294 5.407 -4.850 1.00 11.15 C ATOM 876 OG1 THR A 55 10.447 5.792 -4.106 1.00 11.95 O ATOM 877 CG2 THR A 55 9.329 6.266 -6.106 1.00 11.71 C ATOM 0 H THR A 55 8.355 7.768 -3.800 1.00 9.05 H new ATOM 0 HA THR A 55 7.156 5.234 -4.511 1.00 9.03 H new ATOM 0 HB THR A 55 9.287 4.346 -5.101 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.482 6.769 -4.040 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.241 6.056 -6.665 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.463 6.038 -6.727 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.308 7.319 -5.827 1.00 11.71 H new ATOM 885 N LEU A 56 8.315 3.587 -2.851 1.00 6.91 N ATOM 886 CA LEU A 56 8.679 2.662 -1.804 1.00 8.29 C ATOM 887 C LEU A 56 10.060 3.068 -1.158 1.00 8.05 C ATOM 888 O LEU A 56 10.292 3.012 0.015 1.00 10.17 O ATOM 889 CB LEU A 56 8.667 1.229 -2.323 1.00 6.60 C ATOM 890 CG LEU A 56 7.288 0.822 -2.834 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.387 -0.442 -3.652 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.403 0.517 -1.568 1.00 8.64 C ATOM 0 H LEU A 56 8.157 3.110 -3.738 1.00 6.91 H new ATOM 0 HA LEU A 56 7.934 2.713 -1.010 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.397 1.127 -3.126 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.974 0.551 -1.526 1.00 6.60 H new ATOM 0 HG LEU A 56 6.866 1.614 -3.452 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.396 -0.722 -4.011 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.047 -0.274 -4.503 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.789 -1.245 -3.034 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.403 0.221 -1.886 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.856 -0.291 -0.994 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.336 1.410 -0.947 1.00 8.64 H new ATOM 904 N SER A 57 11.035 3.546 -1.945 1.00 8.92 N ATOM 905 CA SER A 57 12.248 4.131 -1.458 1.00 9.00 C ATOM 906 C SER A 57 12.136 5.428 -0.612 1.00 9.44 C ATOM 907 O SER A 57 12.770 5.507 0.414 1.00 10.91 O ATOM 908 CB SER A 57 13.299 4.404 -2.550 1.00 10.32 C ATOM 909 OG SER A 57 14.531 4.705 -1.965 1.00 13.59 O ATOM 0 H SER A 57 10.979 3.526 -2.963 1.00 8.92 H new ATOM 0 HA SER A 57 12.562 3.330 -0.789 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.398 3.532 -3.197 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.974 5.233 -3.179 1.00 10.32 H new ATOM 0 HG SER A 57 15.193 4.876 -2.667 1.00 13.59 H new ATOM 915 N ASP A 58 11.272 6.329 -1.046 1.00 9.11 N ATOM 916 CA ASP A 58 11.084 7.563 -0.389 1.00 7.91 C ATOM 917 C ASP A 58 10.432 7.389 1.008 1.00 9.12 C ATOM 918 O ASP A 58 10.721 8.120 1.942 1.00 8.61 O ATOM 919 CB ASP A 58 10.188 8.454 -1.279 1.00 8.41 C ATOM 920 CG ASP A 58 10.791 8.744 -2.653 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.989 9.113 -2.608 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.175 8.519 -3.709 1.00 11.70 O ATOM 0 H ASP A 58 10.688 6.202 -1.872 1.00 9.11 H new ATOM 0 HA ASP A 58 12.059 8.025 -0.230 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.221 7.968 -1.410 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.003 9.398 -0.766 1.00 8.41 H new ATOM 927 N TYR A 59 9.655 6.329 1.130 1.00 7.97 N ATOM 928 CA TYR A 59 9.077 6.029 2.407 1.00 8.45 C ATOM 929 C TYR A 59 10.011 5.031 3.188 1.00 10.98 C ATOM 930 O TYR A 59 9.700 4.696 4.338 1.00 12.95 O ATOM 931 CB TYR A 59 7.686 5.404 2.195 1.00 7.94 C ATOM 932 CG TYR A 59 6.753 6.511 1.976 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.347 7.321 3.028 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.122 6.673 0.725 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.416 8.308 2.870 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.098 7.621 0.549 1.00 6.52 C ATOM 937 CZ TYR A 59 4.850 8.493 1.612 1.00 6.76 C ATOM 938 OH TYR A 59 3.788 9.472 1.454 1.00 7.63 O ATOM 0 H TYR A 59 9.420 5.682 0.377 1.00 7.97 H new ATOM 0 HA TYR A 59 8.975 6.943 2.993 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.692 4.729 1.339 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.390 4.815 3.063 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.782 7.165 4.004 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.429 6.060 -0.110 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.125 8.931 3.703 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.529 7.673 -0.367 1.00 6.52 H new ATOM 0 HH TYR A 59 4.066 10.154 0.808 1.00 7.63 H new ATOM 948 N ASN A 60 11.224 4.700 2.647 1.00 12.38 N ATOM 949 CA ASN A 60 12.187 3.751 3.251 1.00 13.94 C ATOM 950 C ASN A 60 11.663 2.385 3.471 1.00 14.16 C ATOM 951 O ASN A 60 11.979 1.715 4.446 1.00 14.26 O ATOM 952 CB ASN A 60 12.737 4.334 4.630 1.00 19.23 C ATOM 953 CG ASN A 60 13.189 5.721 4.485 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.640 6.663 5.030 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.272 5.972 3.673 1.00 24.09 N ATOM 0 H ASN A 60 11.555 5.096 1.767 1.00 12.38 H new ATOM 0 HA ASN A 60 12.987 3.650 2.517 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.954 4.283 5.386 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.562 3.716 4.984 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.598 6.929 3.539 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.749 5.201 3.206 1.00 24.09 H new ATOM 962 N ILE A 61 10.725 1.890 2.595 1.00 11.08 N ATOM 963 CA ILE A 61 10.160 0.574 2.751 1.00 11.78 C ATOM 964 C ILE A 61 11.084 -0.493 2.171 1.00 13.74 C ATOM 965 O ILE A 61 11.435 -0.471 0.960 1.00 14.60 O ATOM 966 CB ILE A 61 8.798 0.322 2.154 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.738 1.216 2.868 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.329 -1.174 2.174 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.684 1.561 1.847 1.00 11.42 C ATOM 0 H ILE A 61 10.370 2.407 1.791 1.00 11.08 H new ATOM 0 HA ILE A 61 10.044 0.516 3.833 1.00 11.78 H new ATOM 0 HB ILE A 61 8.890 0.582 1.100 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.296 0.688 3.713 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.201 2.120 3.263 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.340 -1.251 1.723 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.034 -1.784 1.609 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.287 -1.528 3.204 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.921 2.188 2.309 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.143 2.099 1.018 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.224 0.645 1.475 1.00 11.42 H new ATOM 981 N GLN A 62 11.487 -1.473 3.021 1.00 13.97 N ATOM 982 CA GLN A 62 12.498 -2.452 2.680 1.00 15.52 C ATOM 983 C GLN A 62 11.827 -3.840 2.345 1.00 13.94 C ATOM 984 O GLN A 62 10.666 -4.147 2.624 1.00 12.15 O ATOM 985 CB GLN A 62 13.594 -2.712 3.762 1.00 19.53 C ATOM 986 CG GLN A 62 14.497 -1.604 4.228 1.00 26.38 C ATOM 987 CD GLN A 62 15.035 -0.674 3.135 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.918 -1.031 2.353 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.492 0.593 3.120 1.00 32.71 N ATOM 0 H GLN A 62 11.106 -1.588 3.960 1.00 13.97 H new ATOM 0 HA GLN A 62 13.003 -2.008 1.822 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.086 -3.103 4.644 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.234 -3.509 3.383 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.954 -1.001 4.956 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.345 -2.048 4.750 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.762 0.843 3.787 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.820 1.280 2.441 1.00 32.71 H new ATOM 998 N LYS A 63 12.630 -4.750 1.711 1.00 11.73 N ATOM 999 CA LYS A 63 12.405 -6.237 1.617 1.00 11.97 C ATOM 1000 C LYS A 63 12.022 -6.953 2.931 1.00 10.41 C ATOM 1001 O LYS A 63 12.743 -6.879 3.898 1.00 9.59 O ATOM 1002 CB LYS A 63 13.634 -6.870 1.045 1.00 13.73 C ATOM 1003 CG LYS A 63 13.558 -8.439 0.981 1.00 16.98 C ATOM 1004 CD LYS A 63 14.952 -8.948 0.480 1.00 20.19 C ATOM 1005 CE LYS A 63 15.000 -10.442 0.309 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.320 -10.837 -0.215 1.00 25.97 N ATOM 0 H LYS A 63 13.484 -4.462 1.233 1.00 11.73 H new ATOM 0 HA LYS A 63 11.532 -6.358 0.976 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.800 -6.481 0.041 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.496 -6.580 1.646 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.326 -8.854 1.962 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.765 -8.759 0.305 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.188 -8.470 -0.471 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.721 -8.643 1.189 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.814 -10.934 1.264 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.215 -10.766 -0.374 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.352 -11.870 -0.333 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.480 -10.379 -1.135 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.061 -10.542 0.452 1.00 25.97 H new ATOM 1020 N GLU A 64 10.834 -7.602 2.908 1.00 10.04 N ATOM 1021 CA GLU A 64 10.260 -8.361 3.939 1.00 10.94 C ATOM 1022 C GLU A 64 9.837 -7.495 5.075 1.00 9.74 C ATOM 1023 O GLU A 64 10.320 -7.485 6.232 1.00 9.42 O ATOM 1024 CB GLU A 64 11.207 -9.533 4.409 1.00 18.31 C ATOM 1025 CG GLU A 64 11.150 -10.684 3.395 1.00 24.16 C ATOM 1026 CD GLU A 64 11.891 -11.885 3.875 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.087 -11.745 4.164 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.317 -13.008 3.980 1.00 32.61 O ATOM 0 H GLU A 64 10.238 -7.579 2.080 1.00 10.04 H new ATOM 0 HA GLU A 64 9.363 -8.831 3.536 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.230 -9.170 4.504 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.901 -9.888 5.393 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.110 -10.950 3.206 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.571 -10.353 2.446 1.00 24.16 H new ATOM 1035 N SER A 65 8.933 -6.605 4.731 1.00 6.85 N ATOM 1036 CA SER A 65 8.432 -5.555 5.598 1.00 6.90 C ATOM 1037 C SER A 65 6.974 -5.475 5.458 1.00 4.72 C ATOM 1038 O SER A 65 6.419 -6.017 4.496 1.00 3.91 O ATOM 1039 CB SER A 65 9.093 -4.223 5.237 1.00 7.28 C ATOM 1040 OG SER A 65 8.971 -3.207 6.208 1.00 10.56 O ATOM 0 H SER A 65 8.508 -6.590 3.804 1.00 6.85 H new ATOM 0 HA SER A 65 8.674 -5.780 6.637 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.152 -4.400 5.052 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.662 -3.864 4.303 1.00 7.28 H new ATOM 0 HG SER A 65 9.423 -2.397 5.892 1.00 10.56 H new ATOM 1046 N THR A 66 6.307 -4.855 6.474 1.00 4.48 N ATOM 1047 CA THR A 66 4.870 -4.882 6.608 1.00 3.80 C ATOM 1048 C THR A 66 4.180 -3.537 6.441 1.00 4.60 C ATOM 1049 O THR A 66 4.391 -2.548 7.143 1.00 5.33 O ATOM 1050 CB THR A 66 4.315 -5.379 7.998 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.805 -6.683 8.168 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.826 -5.604 8.026 1.00 3.40 C ATOM 0 H THR A 66 6.777 -4.329 7.210 1.00 4.48 H new ATOM 0 HA THR A 66 4.644 -5.580 5.802 1.00 3.80 H new ATOM 0 HB THR A 66 4.599 -4.624 8.731 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.489 -7.042 9.023 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.528 -5.944 9.018 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.313 -4.671 7.793 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.558 -6.360 7.287 1.00 3.40 H new ATOM 1060 N LEU A 67 3.246 -3.451 5.497 1.00 4.17 N ATOM 1061 CA LEU A 67 2.361 -2.269 5.365 1.00 3.85 C ATOM 1062 C LEU A 67 1.028 -2.573 6.023 1.00 3.80 C ATOM 1063 O LEU A 67 0.669 -3.780 6.166 1.00 5.54 O ATOM 1064 CB LEU A 67 2.059 -1.883 3.917 1.00 7.18 C ATOM 1065 CG LEU A 67 3.304 -1.614 3.142 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.074 -1.152 1.722 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.332 -0.666 3.743 1.00 11.66 C ATOM 0 H LEU A 67 3.073 -4.181 4.806 1.00 4.17 H new ATOM 0 HA LEU A 67 2.893 -1.442 5.836 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.499 -2.685 3.437 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.424 -0.997 3.902 1.00 7.18 H new ATOM 0 HG LEU A 67 3.723 -2.620 3.176 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.034 -0.981 1.235 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.521 -1.916 1.176 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.501 -0.225 1.729 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.180 -0.571 3.065 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.878 0.313 3.896 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.675 -1.060 4.699 1.00 11.66 H new ATOM 1079 N HIS A 68 0.238 -1.557 6.504 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.164 -1.781 6.850 1.00 4.17 C ATOM 1081 C HIS A 68 -2.160 -1.106 5.884 1.00 5.32 C ATOM 1082 O HIS A 68 -1.972 0.024 5.544 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.500 -1.245 8.273 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.235 -2.179 9.418 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.021 -2.844 9.496 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.038 -2.753 10.319 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.118 -3.749 10.444 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.311 -3.759 10.975 1.00 16.30 N ATOM 0 H HIS A 68 0.563 -0.601 6.650 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.278 -2.863 6.791 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.928 -0.332 8.438 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.554 -0.969 8.294 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.068 -2.489 10.509 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.675 -4.415 10.751 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.647 -4.374 11.717 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.193 -1.835 5.427 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.276 -1.329 4.575 1.00 3.97 C ATOM 1098 C LEU A 69 -5.494 -0.979 5.381 1.00 5.07 C ATOM 1099 O LEU A 69 -6.009 -1.806 6.100 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.646 -2.341 3.500 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.754 -1.964 2.520 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.435 -0.697 1.701 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.111 -3.206 1.739 1.00 9.96 C ATOM 0 H LEU A 69 -3.298 -2.825 5.650 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.907 -0.422 4.095 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.748 -2.560 2.922 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.939 -3.266 3.997 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.654 -1.644 3.045 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.262 -0.484 1.024 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.292 0.146 2.376 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.525 -0.857 1.123 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.902 -2.973 1.027 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.232 -3.563 1.201 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.456 -3.980 2.424 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.073 0.233 5.225 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.356 0.589 5.878 1.00 6.26 C ATOM 1117 C VAL A 70 -8.155 1.139 4.727 1.00 9.22 C ATOM 1118 O VAL A 70 -7.681 1.158 3.562 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.272 1.523 7.032 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.678 0.735 8.169 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.439 2.829 6.926 1.00 8.54 C ATOM 0 H VAL A 70 -5.675 0.979 4.655 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.804 -0.275 6.370 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.295 1.886 7.136 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.592 1.373 9.048 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.322 -0.114 8.399 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.690 0.374 7.884 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.500 3.377 7.867 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.398 2.581 6.717 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.833 3.448 6.120 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.484 1.439 4.935 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.330 1.780 3.764 1.00 16.06 C ATOM 1133 C LEU A 71 -11.240 2.888 4.164 1.00 18.09 C ATOM 1134 O LEU A 71 -11.734 2.943 5.290 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.242 0.527 3.357 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.425 -0.703 2.722 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.320 -1.956 2.597 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.750 -0.336 1.378 1.00 19.57 C ATOM 0 H LEU A 71 -9.954 1.449 5.840 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.693 2.059 2.925 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.775 0.177 4.241 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.995 0.857 2.641 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.615 -0.941 3.411 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.743 -2.774 2.165 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.678 -2.247 3.584 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.171 -1.733 1.954 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.212 -1.202 0.993 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.511 -0.033 0.659 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.051 0.486 1.534 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.549 3.746 3.220 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.341 4.941 3.414 1.00 25.83 C ATOM 1152 C ARG A 72 -13.769 4.741 3.964 1.00 27.74 C ATOM 1153 O ARG A 72 -14.170 5.504 4.807 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.464 5.767 2.075 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.947 7.202 2.289 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.793 8.012 1.081 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.372 9.373 1.290 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.797 10.493 0.800 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.028 10.455 -0.252 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.966 11.612 1.522 1.00 35.02 N ATOM 0 H ARG A 72 -11.243 3.626 2.254 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.781 5.472 4.184 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.493 5.788 1.579 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.154 5.256 1.403 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.995 7.192 2.589 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.386 7.657 3.106 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.737 8.095 0.823 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -13.289 7.524 0.242 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.236 9.460 1.824 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.850 9.567 -0.722 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.604 11.313 -0.605 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.504 11.584 2.388 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.556 12.490 1.205 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.522 3.705 3.488 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.912 3.566 3.907 1.00 30.76 C ATOM 1176 C LEU A 73 -16.016 2.448 4.953 1.00 32.18 C ATOM 1177 O LEU A 73 -17.083 1.899 5.101 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.859 3.222 2.702 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.743 4.135 1.474 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.630 3.445 0.435 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.337 5.533 1.709 1.00 29.11 C ATOM 0 H LEU A 73 -14.189 2.991 2.841 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.229 4.522 4.325 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.658 2.197 2.389 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.890 3.251 3.056 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.697 4.272 1.199 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.620 4.019 -0.491 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.252 2.441 0.244 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.651 3.383 0.812 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.225 6.132 0.805 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.395 5.442 1.956 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.813 6.017 2.533 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.895 2.152 5.693 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.892 0.903 6.477 1.00 35.33 C ATOM 1195 C ARG A 74 -14.047 1.049 7.812 1.00 36.22 C ATOM 1196 O ARG A 74 -13.722 0.076 8.433 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.217 -0.174 5.720 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.778 -0.547 4.382 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.207 -1.146 4.421 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.388 -1.697 3.012 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.193 -2.675 2.577 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.922 -3.461 3.368 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.192 -3.046 1.320 1.00 41.93 N ATOM 0 H ARG A 74 -14.051 2.722 5.753 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.937 0.680 6.691 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -13.177 0.119 5.577 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -14.213 -1.069 6.342 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.788 0.339 3.748 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.110 -1.268 3.912 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.296 -1.929 5.175 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.955 -0.389 4.657 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.812 -1.256 2.295 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.889 -3.337 4.380 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.513 -4.186 2.962 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.571 -2.588 0.653 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.813 -3.793 1.008 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.814 2.283 8.350 1.00 36.31 N ATOM 1218 CA GLY A 75 -12.698 2.482 9.330 1.00 36.07 C ATOM 1219 C GLY A 75 -11.417 2.782 8.628 1.00 36.16 C ATOM 1220 O GLY A 75 -10.642 1.891 8.238 1.00 36.26 O ATOM 0 H GLY A 75 -14.355 3.121 8.136 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -12.946 3.299 10.007 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -12.581 1.586 9.940 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.172 4.070 8.295 1.00 36.05 N ATOM 1225 CA GLY A 76 -9.961 4.521 7.661 1.00 36.19 C ATOM 1226 C GLY A 76 -9.749 6.007 7.776 1.00 36.20 C ATOM 1227 O GLY A 76 -10.723 6.659 8.327 1.00 0.00 O ATOM 1228 OXT GLY A 76 -8.708 6.581 7.377 1.00 0.00 O ATOM 0 H GLY A 76 -11.838 4.822 8.473 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.111 4.004 8.106 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -9.986 4.245 6.607 1.00 36.19 H new TER 1232 GLY A 76