USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 55 THR OG1 : rot 126:sc= 0.745 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.67 USER MOD Set 2.1: A 7 THR OG1 : rot 106:sc= 0.0529 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0469 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 0.957 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 156:sc= 0.836 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00999) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.17 (180deg=0.999) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 1.01 (180deg=-0.71!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0146 K(o=-0.015,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 2.22 (180deg=1.9) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00722 K(o=-0.0072,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.0784 (180deg=-0.65) USER MOD Single : A 40 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.7) USER MOD Single : A 41 GLN : amide:sc= 0.849 K(o=0.85,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.606 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 68:sc= 1.64 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.879 -7.085 -4.904 1.00 9.67 N ATOM 2 CA MET A 1 11.635 -7.667 -3.537 1.00 10.38 C ATOM 3 C MET A 1 10.167 -7.937 -3.226 1.00 9.62 C ATOM 4 O MET A 1 9.284 -7.555 -4.011 1.00 9.62 O ATOM 5 CB MET A 1 12.393 -6.778 -2.505 1.00 13.77 C ATOM 6 CG MET A 1 11.865 -5.293 -2.491 1.00 16.29 C ATOM 7 SD MET A 1 12.839 -4.223 -1.486 1.00 17.17 S ATOM 8 CE MET A 1 11.590 -2.906 -1.505 1.00 16.11 C ATOM 0 H1 MET A 1 12.788 -6.579 -4.909 1.00 9.67 H new ATOM 0 H2 MET A 1 11.905 -7.850 -5.608 1.00 9.67 H new ATOM 0 H3 MET A 1 11.113 -6.423 -5.141 1.00 9.67 H new ATOM 0 HA MET A 1 12.042 -8.677 -3.483 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.285 -7.209 -1.510 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.457 -6.780 -2.740 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.850 -4.909 -3.511 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.836 -5.283 -2.131 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.969 -2.037 -0.966 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.371 -2.627 -2.536 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.679 -3.262 -1.024 1.00 16.11 H new ATOM 20 N GLN A 2 9.808 -8.559 -2.106 1.00 9.27 N ATOM 21 CA GLN A 2 8.444 -8.872 -1.730 1.00 9.07 C ATOM 22 C GLN A 2 8.109 -8.065 -0.496 1.00 8.72 C ATOM 23 O GLN A 2 8.952 -7.951 0.367 1.00 8.22 O ATOM 24 CB GLN A 2 8.281 -10.433 -1.388 1.00 14.46 C ATOM 25 CG GLN A 2 8.762 -11.356 -2.495 1.00 17.01 C ATOM 26 CD GLN A 2 7.798 -11.303 -3.737 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.156 -10.616 -4.724 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.680 -11.991 -3.654 1.00 19.49 N ATOM 0 H GLN A 2 10.490 -8.868 -1.413 1.00 9.27 H new ATOM 0 HA GLN A 2 7.778 -8.633 -2.559 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.835 -10.655 -0.476 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.231 -10.643 -1.183 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.769 -11.069 -2.800 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.821 -12.378 -2.120 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.470 -12.523 -2.809 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.023 -11.993 -4.434 1.00 19.49 H new ATOM 37 N ILE A 3 6.897 -7.497 -0.367 1.00 5.87 N ATOM 38 CA ILE A 3 6.398 -6.801 0.849 1.00 5.07 C ATOM 39 C ILE A 3 5.088 -7.435 1.189 1.00 4.01 C ATOM 40 O ILE A 3 4.289 -7.881 0.347 1.00 4.61 O ATOM 41 CB ILE A 3 6.156 -5.344 0.648 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.302 -5.040 -0.560 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.529 -4.647 0.701 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.074 -3.556 -0.764 1.00 10.83 C ATOM 0 H ILE A 3 6.212 -7.506 -1.123 1.00 5.87 H new ATOM 0 HA ILE A 3 7.154 -6.893 1.629 1.00 5.07 H new ATOM 0 HB ILE A 3 5.538 -4.934 1.447 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.778 -5.455 -1.449 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.339 -5.539 -0.452 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.398 -3.574 0.558 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.993 -4.830 1.670 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.169 -5.043 -0.088 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.454 -3.401 -1.647 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.571 -3.142 0.110 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.033 -3.056 -0.902 1.00 10.83 H new ATOM 56 N PHE A 4 4.758 -7.349 2.503 1.00 4.55 N ATOM 57 CA PHE A 4 3.495 -7.864 2.999 1.00 4.68 C ATOM 58 C PHE A 4 2.517 -6.716 3.248 1.00 5.30 C ATOM 59 O PHE A 4 2.944 -5.660 3.675 1.00 5.58 O ATOM 60 CB PHE A 4 3.690 -8.525 4.386 1.00 4.83 C ATOM 61 CG PHE A 4 4.567 -9.684 4.314 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.239 -10.829 3.582 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.865 -9.681 4.971 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.065 -11.936 3.446 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.736 -10.750 4.811 1.00 10.61 C ATOM 66 CZ PHE A 4 6.380 -11.891 4.014 1.00 8.90 C ATOM 0 H PHE A 4 5.354 -6.929 3.216 1.00 4.55 H new ATOM 0 HA PHE A 4 3.125 -8.569 2.255 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.107 -7.796 5.081 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.721 -8.826 4.784 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.278 -10.854 3.089 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.153 -8.842 5.587 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.723 -12.816 2.921 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.701 -10.723 5.296 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.084 -12.693 3.847 1.00 8.90 H new ATOM 76 N VAL A 5 1.253 -6.817 2.863 1.00 4.44 N ATOM 77 CA VAL A 5 0.231 -5.856 3.165 1.00 3.87 C ATOM 78 C VAL A 5 -0.902 -6.432 3.948 1.00 4.93 C ATOM 79 O VAL A 5 -1.547 -7.376 3.449 1.00 6.84 O ATOM 80 CB VAL A 5 -0.340 -5.121 1.908 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.264 -3.967 2.409 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.763 -4.472 1.039 1.00 9.13 C ATOM 0 H VAL A 5 0.910 -7.604 2.312 1.00 4.44 H new ATOM 0 HA VAL A 5 0.749 -5.120 3.780 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.863 -5.862 1.303 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.678 -3.435 1.553 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.076 -4.384 3.005 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.684 -3.276 3.020 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.307 -3.977 0.182 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.310 -3.739 1.632 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.451 -5.242 0.690 1.00 9.13 H new ATOM 92 N LYS A 6 -1.204 -5.897 5.137 1.00 6.04 N ATOM 93 CA LYS A 6 -2.166 -6.360 6.127 1.00 6.12 C ATOM 94 C LYS A 6 -3.391 -5.461 6.205 1.00 6.57 C ATOM 95 O LYS A 6 -3.411 -4.265 5.971 1.00 5.76 O ATOM 96 CB LYS A 6 -1.642 -6.485 7.558 1.00 7.45 C ATOM 97 CG LYS A 6 -0.493 -7.470 7.592 1.00 11.12 C ATOM 98 CD LYS A 6 -0.169 -7.761 9.049 1.00 14.54 C ATOM 99 CE LYS A 6 0.671 -8.982 9.316 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.067 -10.223 9.121 1.00 20.55 N ATOM 0 H LYS A 6 -0.733 -5.049 5.454 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.405 -7.357 5.757 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.311 -5.512 7.922 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.440 -6.819 8.221 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.762 -8.388 7.070 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.378 -7.058 7.083 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.346 -6.895 9.464 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.107 -7.866 9.594 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.539 -8.972 8.657 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.047 -8.944 10.339 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.574 -11.032 9.251 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.841 -10.279 9.813 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.461 -10.245 8.159 1.00 20.55 H new ATOM 114 N THR A 7 -4.586 -6.098 6.496 1.00 7.41 N ATOM 115 CA THR A 7 -5.875 -5.475 6.367 1.00 7.48 C ATOM 116 C THR A 7 -6.622 -5.429 7.656 1.00 8.75 C ATOM 117 O THR A 7 -6.402 -6.196 8.616 1.00 8.58 O ATOM 118 CB THR A 7 -6.674 -6.183 5.253 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.333 -7.418 5.610 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.840 -6.383 3.892 1.00 9.17 C ATOM 0 H THR A 7 -4.633 -7.062 6.825 1.00 7.41 H new ATOM 0 HA THR A 7 -5.727 -4.432 6.086 1.00 7.48 H new ATOM 0 HB THR A 7 -7.475 -5.464 5.083 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.297 -7.263 5.689 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.464 -6.887 3.154 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.535 -5.410 3.506 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.955 -6.987 4.093 1.00 9.17 H new ATOM 128 N LEU A 8 -7.562 -4.546 7.796 1.00 9.84 N ATOM 129 CA LEU A 8 -8.336 -4.352 8.984 1.00 14.15 C ATOM 130 C LEU A 8 -9.160 -5.591 9.320 1.00 17.37 C ATOM 131 O LEU A 8 -9.292 -5.985 10.461 1.00 17.01 O ATOM 132 CB LEU A 8 -9.116 -3.002 8.835 1.00 16.63 C ATOM 133 CG LEU A 8 -10.075 -2.523 9.999 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.382 -3.339 10.240 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.332 -2.420 11.346 1.00 18.59 C ATOM 0 H LEU A 8 -7.824 -3.907 7.045 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.711 -4.244 9.870 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.379 -2.215 8.675 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.714 -3.069 7.926 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.395 -1.551 9.624 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.939 -2.897 11.066 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.994 -3.320 9.338 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.127 -4.370 10.484 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.025 -2.088 12.119 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.929 -3.396 11.615 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.516 -1.702 11.258 1.00 18.59 H new ATOM 147 N THR A 9 -9.579 -6.342 8.289 1.00 18.33 N ATOM 148 CA THR A 9 -10.420 -7.459 8.415 1.00 19.24 C ATOM 149 C THR A 9 -9.659 -8.833 8.501 1.00 19.48 C ATOM 150 O THR A 9 -10.104 -9.926 8.092 1.00 23.14 O ATOM 151 CB THR A 9 -11.392 -7.543 7.264 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.649 -7.358 6.037 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.424 -6.393 7.319 1.00 19.70 C ATOM 0 H THR A 9 -9.310 -6.149 7.324 1.00 18.33 H new ATOM 0 HA THR A 9 -10.940 -7.301 9.360 1.00 19.24 H new ATOM 0 HB THR A 9 -11.901 -8.505 7.316 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.261 -7.410 5.273 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.111 -6.480 6.477 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.984 -6.451 8.252 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.905 -5.436 7.267 1.00 19.70 H new ATOM 161 N GLY A 10 -8.405 -8.792 9.063 1.00 19.43 N ATOM 162 CA GLY A 10 -7.634 -9.964 9.489 1.00 18.74 C ATOM 163 C GLY A 10 -6.716 -10.579 8.472 1.00 17.62 C ATOM 164 O GLY A 10 -6.098 -11.605 8.818 1.00 19.74 O ATOM 0 H GLY A 10 -7.912 -7.914 9.226 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.038 -9.681 10.357 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.336 -10.730 9.820 1.00 18.74 H new ATOM 168 N LYS A 11 -6.580 -10.104 7.261 1.00 13.56 N ATOM 169 CA LYS A 11 -5.834 -10.806 6.192 1.00 11.91 C ATOM 170 C LYS A 11 -4.465 -10.227 5.832 1.00 10.18 C ATOM 171 O LYS A 11 -4.223 -9.053 6.104 1.00 9.10 O ATOM 172 CB LYS A 11 -6.683 -10.804 4.929 1.00 13.43 C ATOM 173 CG LYS A 11 -6.402 -11.906 3.950 1.00 16.69 C ATOM 174 CD LYS A 11 -7.419 -12.090 2.866 1.00 17.92 C ATOM 175 CE LYS A 11 -7.538 -10.987 1.769 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.452 -11.298 0.698 1.00 21.93 N ATOM 0 H LYS A 11 -6.979 -9.213 6.964 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.640 -11.801 6.592 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.732 -10.861 5.219 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.544 -9.849 4.422 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.434 -11.716 3.486 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.313 -12.842 4.501 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.205 -13.035 2.366 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.395 -12.194 3.340 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.856 -10.057 2.241 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.550 -10.808 1.345 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.874 -10.419 0.335 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.938 -11.778 -0.069 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.204 -11.922 1.054 1.00 21.93 H new ATOM 190 N THR A 12 -3.527 -10.976 5.169 1.00 9.63 N ATOM 191 CA THR A 12 -2.235 -10.504 4.653 1.00 9.85 C ATOM 192 C THR A 12 -2.099 -10.956 3.228 1.00 11.66 C ATOM 193 O THR A 12 -2.381 -12.087 2.935 1.00 12.33 O ATOM 194 CB THR A 12 -1.124 -11.175 5.437 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.373 -11.135 6.811 1.00 10.91 O ATOM 196 CG2 THR A 12 0.280 -10.586 5.160 1.00 9.63 C ATOM 0 H THR A 12 -3.675 -11.967 4.981 1.00 9.63 H new ATOM 0 HA THR A 12 -2.178 -9.419 4.736 1.00 9.85 H new ATOM 0 HB THR A 12 -1.120 -12.208 5.088 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.891 -11.865 7.252 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.022 -11.117 5.757 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.519 -10.696 4.102 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.290 -9.529 5.426 1.00 9.63 H new ATOM 204 N ILE A 13 -1.571 -10.080 2.387 1.00 10.42 N ATOM 205 CA ILE A 13 -1.268 -10.382 0.960 1.00 11.84 C ATOM 206 C ILE A 13 0.128 -9.876 0.680 1.00 10.55 C ATOM 207 O ILE A 13 0.638 -8.940 1.275 1.00 11.92 O ATOM 208 CB ILE A 13 -2.248 -9.801 -0.066 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.423 -8.286 0.104 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.618 -10.571 0.191 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.525 -7.541 -0.728 1.00 16.46 C ATOM 0 H ILE A 13 -1.332 -9.127 2.659 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.364 -11.461 0.838 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.885 -9.936 -1.085 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.624 -8.096 1.158 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.466 -7.818 -0.127 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.374 -10.211 -0.506 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.468 -11.640 0.043 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.951 -10.390 1.213 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.509 -6.479 -0.484 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.328 -7.672 -1.792 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.504 -7.954 -0.487 1.00 16.46 H new ATOM 223 N THR A 14 0.798 -10.579 -0.203 1.00 9.39 N ATOM 224 CA THR A 14 2.197 -10.342 -0.681 1.00 9.63 C ATOM 225 C THR A 14 2.296 -9.598 -1.974 1.00 11.20 C ATOM 226 O THR A 14 1.754 -10.066 -2.996 1.00 11.63 O ATOM 227 CB THR A 14 3.039 -11.598 -0.713 1.00 10.38 C ATOM 228 OG1 THR A 14 2.689 -12.397 0.454 1.00 16.30 O ATOM 229 CG2 THR A 14 4.510 -11.254 -0.523 1.00 11.66 C ATOM 0 H THR A 14 0.379 -11.392 -0.654 1.00 9.39 H new ATOM 0 HA THR A 14 2.615 -9.683 0.080 1.00 9.63 H new ATOM 0 HB THR A 14 2.869 -12.107 -1.662 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.220 -13.221 0.458 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.104 -12.168 -0.548 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.834 -10.588 -1.323 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.647 -10.759 0.439 1.00 11.66 H new ATOM 237 N LEU A 15 2.942 -8.432 -1.959 1.00 8.29 N ATOM 238 CA LEU A 15 3.228 -7.690 -3.248 1.00 9.03 C ATOM 239 C LEU A 15 4.668 -7.796 -3.748 1.00 8.59 C ATOM 240 O LEU A 15 5.589 -7.774 -2.948 1.00 7.79 O ATOM 241 CB LEU A 15 2.821 -6.229 -3.272 1.00 11.08 C ATOM 242 CG LEU A 15 1.378 -6.143 -2.769 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.028 -4.720 -2.364 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.254 -6.756 -3.551 1.00 15.27 C ATOM 0 H LEU A 15 3.279 -7.970 -1.114 1.00 8.29 H new ATOM 0 HA LEU A 15 2.575 -8.233 -3.931 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.483 -5.637 -2.640 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.899 -5.826 -4.282 1.00 11.08 H new ATOM 0 HG LEU A 15 1.431 -6.827 -1.922 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.002 -4.685 -2.010 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.696 -4.394 -1.567 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.139 -4.059 -3.224 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.687 -6.587 -3.028 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.207 -6.299 -4.540 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.425 -7.828 -3.654 1.00 15.27 H new ATOM 256 N GLU A 16 4.890 -7.943 -5.071 1.00 11.04 N ATOM 257 CA GLU A 16 6.226 -7.903 -5.759 1.00 11.50 C ATOM 258 C GLU A 16 6.555 -6.416 -6.070 1.00 10.13 C ATOM 259 O GLU A 16 5.773 -5.821 -6.851 1.00 9.83 O ATOM 260 CB GLU A 16 6.148 -8.637 -7.127 1.00 17.22 C ATOM 261 CG GLU A 16 7.516 -8.785 -7.896 1.00 23.33 C ATOM 262 CD GLU A 16 7.397 -9.812 -9.037 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.416 -9.724 -9.800 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.217 -10.777 -9.084 1.00 28.86 O ATOM 0 H GLU A 16 4.124 -8.099 -5.726 1.00 11.04 H new ATOM 0 HA GLU A 16 6.973 -8.373 -5.120 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.734 -9.632 -6.963 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.447 -8.102 -7.768 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.816 -7.819 -8.301 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.296 -9.096 -7.201 1.00 23.33 H new ATOM 271 N VAL A 17 7.631 -5.761 -5.431 1.00 8.99 N ATOM 272 CA VAL A 17 7.963 -4.348 -5.635 1.00 8.85 C ATOM 273 C VAL A 17 9.478 -4.148 -5.801 1.00 8.04 C ATOM 274 O VAL A 17 10.323 -4.848 -5.224 1.00 8.99 O ATOM 275 CB VAL A 17 7.543 -3.474 -4.476 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.014 -3.544 -4.289 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.116 -3.879 -3.092 1.00 10.54 C ATOM 0 H VAL A 17 8.256 -6.233 -4.777 1.00 8.99 H new ATOM 0 HA VAL A 17 7.420 -4.060 -6.535 1.00 8.85 H new ATOM 0 HB VAL A 17 7.926 -2.491 -4.750 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.721 -2.911 -3.452 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.520 -3.197 -5.197 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.719 -4.574 -4.086 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.753 -3.188 -2.331 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.793 -4.891 -2.846 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.205 -3.844 -3.125 1.00 10.54 H new ATOM 287 N GLU A 18 9.808 -3.085 -6.525 1.00 7.29 N ATOM 288 CA GLU A 18 11.122 -2.384 -6.388 1.00 7.08 C ATOM 289 C GLU A 18 10.996 -1.270 -5.333 1.00 6.45 C ATOM 290 O GLU A 18 9.890 -0.835 -5.063 1.00 5.28 O ATOM 291 CB GLU A 18 11.603 -1.848 -7.736 1.00 10.28 C ATOM 292 CG GLU A 18 11.731 -3.002 -8.808 1.00 12.65 C ATOM 293 CD GLU A 18 12.720 -4.091 -8.425 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.812 -3.814 -7.862 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.481 -5.249 -8.784 1.00 14.33 O ATOM 0 H GLU A 18 9.192 -2.671 -7.224 1.00 7.29 H new ATOM 0 HA GLU A 18 11.878 -3.093 -6.050 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.907 -1.091 -8.097 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.569 -1.359 -7.610 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.750 -3.453 -8.961 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.034 -2.568 -9.761 1.00 12.65 H new ATOM 302 N PRO A 19 12.087 -0.803 -4.710 1.00 7.24 N ATOM 303 CA PRO A 19 11.939 0.354 -3.863 1.00 7.07 C ATOM 304 C PRO A 19 11.631 1.662 -4.581 1.00 6.65 C ATOM 305 O PRO A 19 11.299 2.667 -4.030 1.00 6.37 O ATOM 306 CB PRO A 19 13.315 0.436 -3.140 1.00 7.61 C ATOM 307 CG PRO A 19 14.298 -0.189 -4.197 1.00 8.16 C ATOM 308 CD PRO A 19 13.515 -1.271 -4.866 1.00 7.49 C ATOM 0 HA PRO A 19 11.075 0.234 -3.209 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.583 1.464 -2.895 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.315 -0.125 -2.205 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.631 0.559 -4.917 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.191 -0.588 -3.717 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.792 -1.380 -5.915 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.677 -2.239 -4.391 1.00 7.49 H new ATOM 316 N SER A 20 11.796 1.663 -5.943 1.00 6.80 N ATOM 317 CA SER A 20 11.560 2.771 -6.817 1.00 6.28 C ATOM 318 C SER A 20 10.127 2.746 -7.422 1.00 8.45 C ATOM 319 O SER A 20 9.669 3.729 -8.035 1.00 7.26 O ATOM 320 CB SER A 20 12.492 2.753 -8.129 1.00 8.57 C ATOM 321 OG SER A 20 12.502 1.418 -8.656 1.00 11.13 O ATOM 0 H SER A 20 12.113 0.834 -6.445 1.00 6.80 H new ATOM 0 HA SER A 20 11.751 3.634 -6.179 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.113 3.453 -8.874 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.505 3.071 -7.880 1.00 8.57 H new ATOM 0 HG SER A 20 13.064 1.387 -9.458 1.00 11.13 H new ATOM 327 N ASP A 21 9.338 1.691 -7.114 1.00 7.50 N ATOM 328 CA ASP A 21 7.917 1.734 -7.424 1.00 7.70 C ATOM 329 C ASP A 21 7.156 2.716 -6.505 1.00 7.08 C ATOM 330 O ASP A 21 7.570 2.974 -5.374 1.00 8.11 O ATOM 331 CB ASP A 21 7.339 0.319 -7.380 1.00 11.00 C ATOM 332 CG ASP A 21 7.888 -0.556 -8.456 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.292 0.028 -9.539 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.881 -1.824 -8.358 1.00 14.36 O ATOM 0 H ASP A 21 9.660 0.833 -6.666 1.00 7.50 H new ATOM 0 HA ASP A 21 7.789 2.120 -8.435 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.553 -0.127 -6.409 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.254 0.370 -7.476 1.00 11.00 H new ATOM 339 N THR A 22 6.062 3.293 -7.007 1.00 5.37 N ATOM 340 CA THR A 22 5.339 4.321 -6.293 1.00 6.01 C ATOM 341 C THR A 22 4.230 3.584 -5.472 1.00 8.01 C ATOM 342 O THR A 22 3.870 2.423 -5.722 1.00 8.11 O ATOM 343 CB THR A 22 4.740 5.429 -7.174 1.00 8.92 C ATOM 344 OG1 THR A 22 3.835 4.891 -8.127 1.00 10.22 O ATOM 345 CG2 THR A 22 5.809 6.283 -7.931 1.00 9.65 C ATOM 0 H THR A 22 5.663 3.055 -7.915 1.00 5.37 H new ATOM 0 HA THR A 22 6.040 4.862 -5.658 1.00 6.01 H new ATOM 0 HB THR A 22 4.220 6.089 -6.480 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.466 5.616 -8.674 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.309 7.043 -8.531 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.467 6.766 -7.209 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.397 5.636 -8.582 1.00 9.65 H new ATOM 353 N ILE A 23 3.638 4.237 -4.472 1.00 8.32 N ATOM 354 CA ILE A 23 2.473 3.758 -3.793 1.00 9.92 C ATOM 355 C ILE A 23 1.268 3.519 -4.665 1.00 10.01 C ATOM 356 O ILE A 23 0.542 2.565 -4.437 1.00 8.71 O ATOM 357 CB ILE A 23 2.203 4.651 -2.546 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.479 4.874 -1.644 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.941 4.190 -1.801 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.002 3.614 -1.020 1.00 12.30 C ATOM 0 H ILE A 23 3.976 5.131 -4.117 1.00 8.32 H new ATOM 0 HA ILE A 23 2.688 2.745 -3.452 1.00 9.92 H new ATOM 0 HB ILE A 23 1.982 5.659 -2.898 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.267 5.324 -2.248 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.236 5.586 -0.855 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.776 4.830 -0.935 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.081 4.253 -2.468 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.069 3.159 -1.471 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.879 3.844 -0.415 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.231 3.173 -0.388 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.277 2.907 -1.803 1.00 12.30 H new ATOM 372 N GLU A 24 1.011 4.317 -5.721 1.00 9.54 N ATOM 373 CA GLU A 24 -0.006 3.935 -6.737 1.00 11.81 C ATOM 374 C GLU A 24 0.183 2.571 -7.306 1.00 11.14 C ATOM 375 O GLU A 24 -0.775 1.876 -7.497 1.00 10.62 O ATOM 376 CB GLU A 24 0.029 5.056 -7.911 1.00 19.24 C ATOM 377 CG GLU A 24 -1.305 5.067 -8.679 1.00 27.76 C ATOM 378 CD GLU A 24 -1.263 6.138 -9.758 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.396 6.027 -10.689 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.185 7.027 -9.750 1.00 34.80 O ATOM 0 H GLU A 24 1.476 5.208 -5.896 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.978 3.898 -6.244 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.216 6.039 -7.479 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.850 4.848 -8.597 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.486 4.091 -9.128 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.130 5.260 -7.993 1.00 27.76 H new ATOM 387 N ASN A 25 1.424 2.208 -7.649 1.00 9.43 N ATOM 388 CA ASN A 25 1.705 0.826 -8.118 1.00 10.96 C ATOM 389 C ASN A 25 1.466 -0.229 -7.076 1.00 9.68 C ATOM 390 O ASN A 25 0.789 -1.227 -7.315 1.00 9.33 O ATOM 391 CB ASN A 25 3.188 0.547 -8.460 1.00 16.78 C ATOM 392 CG ASN A 25 3.760 1.404 -9.588 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.898 1.832 -9.500 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.951 1.495 -10.716 1.00 24.70 N ATOM 0 H ASN A 25 2.236 2.824 -7.616 1.00 9.43 H new ATOM 0 HA ASN A 25 1.038 0.775 -8.979 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.788 0.704 -7.564 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.291 -0.503 -8.733 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.301 1.950 -11.559 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.008 1.107 -10.700 1.00 24.70 H new ATOM 401 N VAL A 26 1.897 0.029 -5.793 1.00 6.52 N ATOM 402 CA VAL A 26 1.526 -0.863 -4.703 1.00 5.53 C ATOM 403 C VAL A 26 -0.029 -0.969 -4.554 1.00 4.42 C ATOM 404 O VAL A 26 -0.568 -2.087 -4.445 1.00 3.40 O ATOM 405 CB VAL A 26 2.193 -0.444 -3.380 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.002 -1.538 -2.277 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.665 -0.165 -3.641 1.00 8.12 C ATOM 0 H VAL A 26 2.478 0.823 -5.524 1.00 6.52 H new ATOM 0 HA VAL A 26 1.897 -1.857 -4.954 1.00 5.53 H new ATOM 0 HB VAL A 26 1.718 0.462 -3.005 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.484 -1.213 -1.355 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.938 -1.690 -2.096 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.451 -2.473 -2.611 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.149 0.133 -2.711 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.143 -1.065 -4.027 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.759 0.638 -4.372 1.00 8.12 H new ATOM 417 N LYS A 27 -0.845 0.119 -4.643 1.00 2.64 N ATOM 418 CA LYS A 27 -2.286 -0.004 -4.521 1.00 4.14 C ATOM 419 C LYS A 27 -2.937 -0.582 -5.797 1.00 5.58 C ATOM 420 O LYS A 27 -3.828 -1.415 -5.735 1.00 4.11 O ATOM 421 CB LYS A 27 -2.918 1.289 -4.148 1.00 3.97 C ATOM 422 CG LYS A 27 -2.396 1.796 -2.767 1.00 7.45 C ATOM 423 CD LYS A 27 -3.136 3.035 -2.249 1.00 9.02 C ATOM 424 CE LYS A 27 -2.990 4.308 -3.141 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.842 5.370 -2.628 1.00 15.47 N ATOM 0 H LYS A 27 -0.513 1.071 -4.797 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.465 -0.714 -3.714 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.707 2.034 -4.915 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.001 1.169 -4.109 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.491 0.994 -2.035 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.334 2.026 -2.852 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.195 2.795 -2.154 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.771 3.266 -1.248 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.951 4.637 -3.154 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.263 4.075 -4.170 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.459 6.293 -2.918 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.803 5.259 -3.009 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.873 5.319 -1.590 1.00 15.47 H new ATOM 439 N ALA A 28 -2.356 -0.429 -7.002 1.00 6.61 N ATOM 440 CA ALA A 28 -2.868 -1.108 -8.188 1.00 7.74 C ATOM 441 C ALA A 28 -2.522 -2.604 -8.207 1.00 9.17 C ATOM 442 O ALA A 28 -3.267 -3.436 -8.721 1.00 11.45 O ATOM 443 CB ALA A 28 -2.318 -0.405 -9.424 1.00 7.68 C ATOM 0 H ALA A 28 -1.538 0.156 -7.171 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.957 -1.052 -8.176 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.691 -0.900 -10.320 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.640 0.636 -9.424 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.229 -0.448 -9.413 1.00 7.68 H new ATOM 449 N LYS A 29 -1.424 -3.031 -7.550 1.00 8.96 N ATOM 450 CA LYS A 29 -1.137 -4.381 -7.269 1.00 7.90 C ATOM 451 C LYS A 29 -2.041 -5.030 -6.240 1.00 6.92 C ATOM 452 O LYS A 29 -2.421 -6.216 -6.406 1.00 6.87 O ATOM 453 CB LYS A 29 0.416 -4.554 -6.950 1.00 10.28 C ATOM 454 CG LYS A 29 1.331 -4.337 -8.137 1.00 14.94 C ATOM 455 CD LYS A 29 2.767 -4.425 -7.746 1.00 19.69 C ATOM 456 CE LYS A 29 3.713 -3.521 -8.575 1.00 22.63 C ATOM 457 NZ LYS A 29 3.964 -4.002 -9.997 1.00 24.98 N ATOM 0 H LYS A 29 -0.710 -2.391 -7.204 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.368 -4.943 -8.174 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.692 -3.853 -6.162 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.583 -5.557 -6.557 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.116 -5.081 -8.904 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.132 -3.360 -8.577 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.861 -4.159 -6.693 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.095 -5.460 -7.844 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.292 -2.516 -8.614 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.669 -3.446 -8.057 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.606 -3.341 -10.479 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.396 -4.948 -9.972 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.062 -4.047 -10.513 1.00 24.98 H new ATOM 471 N ILE A 30 -2.554 -4.272 -5.205 1.00 4.57 N ATOM 472 CA ILE A 30 -3.633 -4.707 -4.342 1.00 5.58 C ATOM 473 C ILE A 30 -4.955 -4.763 -5.135 1.00 7.26 C ATOM 474 O ILE A 30 -5.753 -5.665 -4.824 1.00 9.46 O ATOM 475 CB ILE A 30 -3.782 -3.776 -3.124 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.549 -4.017 -2.350 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.045 -4.139 -2.286 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.296 -2.920 -1.330 1.00 2.00 C ATOM 0 H ILE A 30 -2.203 -3.342 -4.975 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.393 -5.705 -3.975 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.909 -2.731 -3.407 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.623 -4.977 -1.839 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.700 -4.082 -3.031 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.122 -3.464 -1.434 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.935 -4.041 -2.908 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.962 -5.166 -1.930 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.379 -3.137 -0.782 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.195 -1.963 -1.842 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.132 -2.872 -0.632 1.00 2.00 H new ATOM 490 N GLN A 31 -5.207 -3.885 -6.186 1.00 7.06 N ATOM 491 CA GLN A 31 -6.421 -3.852 -6.984 1.00 8.67 C ATOM 492 C GLN A 31 -6.430 -5.105 -7.850 1.00 10.90 C ATOM 493 O GLN A 31 -7.482 -5.803 -8.013 1.00 9.63 O ATOM 494 CB GLN A 31 -6.436 -2.602 -7.876 1.00 9.12 C ATOM 495 CG GLN A 31 -7.743 -2.524 -8.776 1.00 10.76 C ATOM 496 CD GLN A 31 -7.664 -1.374 -9.748 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.584 -0.854 -9.957 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.781 -1.077 -10.383 1.00 14.76 N ATOM 0 H GLN A 31 -4.529 -3.180 -6.475 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.300 -3.818 -6.340 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.373 -1.711 -7.251 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.555 -2.605 -8.517 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.868 -3.459 -9.323 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.620 -2.407 -8.140 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.647 -1.562 -10.146 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.779 -0.363 -11.111 1.00 14.76 H new ATOM 507 N ASP A 32 -5.193 -5.595 -8.283 1.00 10.93 N ATOM 508 CA ASP A 32 -5.033 -6.859 -8.974 1.00 14.01 C ATOM 509 C ASP A 32 -5.501 -7.998 -8.060 1.00 14.04 C ATOM 510 O ASP A 32 -6.308 -8.810 -8.497 1.00 13.39 O ATOM 511 CB ASP A 32 -3.559 -7.047 -9.407 1.00 18.01 C ATOM 512 CG ASP A 32 -3.546 -8.136 -10.457 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.296 -7.917 -11.439 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.805 -9.139 -10.349 1.00 26.29 O ATOM 0 H ASP A 32 -4.316 -5.094 -8.141 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.644 -6.868 -9.877 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.153 -6.119 -9.808 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.938 -7.324 -8.555 1.00 18.01 H new ATOM 519 N LYS A 33 -5.115 -7.997 -6.794 1.00 14.22 N ATOM 520 CA LYS A 33 -5.581 -9.043 -5.832 1.00 14.00 C ATOM 521 C LYS A 33 -6.957 -8.919 -5.287 1.00 12.37 C ATOM 522 O LYS A 33 -7.669 -9.941 -5.325 1.00 12.17 O ATOM 523 CB LYS A 33 -4.682 -9.141 -4.638 1.00 18.62 C ATOM 524 CG LYS A 33 -3.307 -9.720 -4.928 1.00 24.00 C ATOM 525 CD LYS A 33 -2.522 -9.930 -3.612 1.00 27.61 C ATOM 526 CE LYS A 33 -1.248 -10.786 -3.829 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.661 -12.140 -4.276 1.00 30.06 N ATOM 0 H LYS A 33 -4.488 -7.302 -6.390 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.563 -9.925 -6.472 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.560 -8.147 -4.209 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.169 -9.757 -3.882 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.409 -10.669 -5.454 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.754 -9.049 -5.586 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.242 -8.961 -3.198 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.166 -10.416 -2.879 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.602 -10.322 -4.574 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.673 -10.851 -2.905 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.894 -12.816 -4.089 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.514 -12.432 -3.757 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.865 -12.122 -5.296 1.00 30.06 H new ATOM 541 N GLU A 34 -7.359 -7.760 -4.798 1.00 10.11 N ATOM 542 CA GLU A 34 -8.550 -7.600 -3.965 1.00 10.07 C ATOM 543 C GLU A 34 -9.642 -6.783 -4.584 1.00 9.32 C ATOM 544 O GLU A 34 -10.735 -6.628 -4.047 1.00 11.61 O ATOM 545 CB GLU A 34 -8.105 -6.917 -2.677 1.00 14.77 C ATOM 546 CG GLU A 34 -7.115 -7.708 -1.779 1.00 18.75 C ATOM 547 CD GLU A 34 -7.778 -8.970 -1.352 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.743 -8.848 -0.547 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.403 -10.074 -1.793 1.00 25.19 O ATOM 0 H GLU A 34 -6.863 -6.885 -4.968 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.974 -8.592 -3.810 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.643 -5.965 -2.938 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.993 -6.689 -2.087 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.198 -7.927 -2.326 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.833 -7.114 -0.910 1.00 18.75 H new ATOM 556 N GLY A 35 -9.416 -6.188 -5.811 1.00 7.22 N ATOM 557 CA GLY A 35 -10.447 -5.496 -6.649 1.00 6.29 C ATOM 558 C GLY A 35 -10.900 -4.168 -6.170 1.00 6.93 C ATOM 559 O GLY A 35 -11.759 -3.459 -6.669 1.00 7.41 O ATOM 0 H GLY A 35 -8.493 -6.181 -6.244 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.046 -5.378 -7.656 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.318 -6.147 -6.727 1.00 6.29 H new ATOM 563 N ILE A 36 -10.232 -3.754 -5.088 1.00 5.86 N ATOM 564 CA ILE A 36 -10.451 -2.434 -4.489 1.00 6.07 C ATOM 565 C ILE A 36 -9.847 -1.265 -5.232 1.00 6.36 C ATOM 566 O ILE A 36 -8.626 -1.375 -5.517 1.00 6.18 O ATOM 567 CB ILE A 36 -9.926 -2.323 -3.054 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.306 -3.533 -2.188 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.532 -1.045 -2.350 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.487 -3.704 -0.984 1.00 9.49 C ATOM 0 H ILE A 36 -9.531 -4.318 -4.607 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.538 -2.368 -4.533 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.841 -2.266 -3.135 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.350 -3.436 -1.890 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.230 -4.435 -2.795 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.152 -0.976 -1.331 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.244 -0.153 -2.906 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.619 -1.123 -2.327 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.827 -4.582 -0.435 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.443 -3.836 -1.270 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.581 -2.821 -0.351 1.00 9.49 H new ATOM 582 N PRO A 37 -10.467 -0.209 -5.574 1.00 8.65 N ATOM 583 CA PRO A 37 -9.783 0.894 -6.268 1.00 9.18 C ATOM 584 C PRO A 37 -8.624 1.566 -5.524 1.00 9.85 C ATOM 585 O PRO A 37 -8.761 1.790 -4.308 1.00 8.51 O ATOM 586 CB PRO A 37 -10.967 1.791 -6.438 1.00 11.42 C ATOM 587 CG PRO A 37 -12.235 0.937 -6.686 1.00 9.27 C ATOM 588 CD PRO A 37 -11.965 -0.148 -5.626 1.00 8.33 C ATOM 0 HA PRO A 37 -9.250 0.586 -7.167 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.100 2.407 -5.549 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.804 2.470 -7.275 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.160 1.486 -6.509 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.290 0.539 -7.699 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.391 0.119 -4.659 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.398 -1.107 -5.912 1.00 8.33 H new ATOM 596 N PRO A 38 -7.538 1.977 -6.139 1.00 8.71 N ATOM 597 CA PRO A 38 -6.443 2.657 -5.387 1.00 9.08 C ATOM 598 C PRO A 38 -6.790 3.987 -4.729 1.00 9.28 C ATOM 599 O PRO A 38 -6.187 4.236 -3.719 1.00 6.50 O ATOM 600 CB PRO A 38 -5.341 2.907 -6.452 1.00 10.31 C ATOM 601 CG PRO A 38 -5.902 2.461 -7.832 1.00 10.81 C ATOM 602 CD PRO A 38 -7.102 1.539 -7.445 1.00 12.00 C ATOM 0 HA PRO A 38 -6.165 2.018 -4.549 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.064 3.961 -6.475 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.439 2.346 -6.207 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.225 3.313 -8.430 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.154 1.925 -8.417 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.908 1.622 -8.174 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.798 0.492 -7.424 1.00 12.00 H new ATOM 610 N ASP A 39 -7.790 4.768 -5.258 1.00 11.20 N ATOM 611 CA ASP A 39 -8.310 5.957 -4.605 1.00 14.96 C ATOM 612 C ASP A 39 -8.951 5.631 -3.246 1.00 13.99 C ATOM 613 O ASP A 39 -8.848 6.362 -2.238 1.00 13.75 O ATOM 614 CB ASP A 39 -9.410 6.525 -5.571 1.00 24.16 C ATOM 615 CG ASP A 39 -8.785 7.226 -6.698 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.063 8.223 -6.451 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.842 6.706 -7.871 1.00 34.22 O ATOM 0 H ASP A 39 -8.239 4.565 -6.151 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.505 6.666 -4.413 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.034 5.711 -5.941 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.064 7.207 -5.027 1.00 24.16 H new ATOM 622 N GLN A 40 -9.727 4.522 -3.173 1.00 11.60 N ATOM 623 CA GLN A 40 -10.447 4.025 -1.974 1.00 10.76 C ATOM 624 C GLN A 40 -9.539 3.377 -1.024 1.00 8.01 C ATOM 625 O GLN A 40 -9.823 3.491 0.159 1.00 8.96 O ATOM 626 CB GLN A 40 -11.595 3.054 -2.353 1.00 11.14 C ATOM 627 CG GLN A 40 -12.504 2.717 -1.213 1.00 14.85 C ATOM 628 CD GLN A 40 -13.765 1.951 -1.748 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.618 1.152 -2.696 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.940 2.181 -1.138 1.00 18.16 N ATOM 0 H GLN A 40 -9.875 3.922 -3.985 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.882 4.901 -1.492 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.184 3.498 -3.155 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.164 2.133 -2.746 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.976 2.102 -0.484 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.811 3.628 -0.699 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.993 2.848 -0.368 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.779 1.689 -1.445 1.00 18.16 H new ATOM 639 N GLN A 41 -8.439 2.703 -1.406 1.00 6.52 N ATOM 640 CA GLN A 41 -7.384 2.205 -0.556 1.00 3.87 C ATOM 641 C GLN A 41 -6.537 3.313 0.039 1.00 4.79 C ATOM 642 O GLN A 41 -6.160 4.309 -0.603 1.00 6.34 O ATOM 643 CB GLN A 41 -6.448 1.187 -1.282 1.00 4.20 C ATOM 644 CG GLN A 41 -7.085 -0.117 -1.920 1.00 3.20 C ATOM 645 CD GLN A 41 -5.930 -0.700 -2.739 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.887 -0.933 -2.179 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.208 -1.031 -4.039 1.00 7.13 N ATOM 0 H GLN A 41 -8.268 2.486 -2.388 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.905 1.688 0.250 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.930 1.724 -2.077 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.690 0.868 -0.567 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.429 -0.813 -1.155 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.945 0.119 -2.547 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.116 -0.799 -4.441 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.507 -1.509 -4.605 1.00 7.13 H new ATOM 656 N ARG A 42 -6.144 3.109 1.289 1.00 5.73 N ATOM 657 CA ARG A 42 -5.106 3.940 1.956 1.00 6.97 C ATOM 658 C ARG A 42 -4.061 3.033 2.517 1.00 7.15 C ATOM 659 O ARG A 42 -4.316 2.307 3.457 1.00 7.33 O ATOM 660 CB ARG A 42 -5.726 4.622 3.206 1.00 13.23 C ATOM 661 CG ARG A 42 -6.615 5.859 3.005 1.00 21.27 C ATOM 662 CD ARG A 42 -7.158 6.465 4.288 1.00 26.14 C ATOM 663 NE ARG A 42 -7.761 7.802 3.973 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.136 8.638 4.934 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.396 8.228 6.136 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.288 9.937 4.695 1.00 36.39 N ATOM 0 H ARG A 42 -6.523 2.370 1.882 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.714 4.657 1.234 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.316 3.873 3.733 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.908 4.907 3.868 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.042 6.619 2.474 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.454 5.587 2.364 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.907 5.807 4.729 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.359 6.574 5.021 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.886 8.075 2.998 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.315 7.238 6.366 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.682 8.896 6.852 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.116 10.307 3.760 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.577 10.563 5.446 1.00 36.39 H new ATOM 680 N LEU A 43 -2.806 3.220 2.088 1.00 4.65 N ATOM 681 CA LEU A 43 -1.784 2.447 2.755 1.00 3.51 C ATOM 682 C LEU A 43 -1.120 3.214 3.857 1.00 5.56 C ATOM 683 O LEU A 43 -1.034 4.436 3.785 1.00 4.19 O ATOM 684 CB LEU A 43 -0.673 2.101 1.730 1.00 3.74 C ATOM 685 CG LEU A 43 -0.995 0.925 0.737 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.084 0.666 -0.339 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.240 -0.433 1.398 1.00 6.41 C ATOM 0 H LEU A 43 -2.501 3.848 1.344 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.269 1.563 3.170 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.454 2.995 1.145 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.235 1.849 2.279 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.911 1.304 0.284 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.228 -0.162 -0.975 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.214 1.561 -0.947 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.028 0.416 0.145 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.454 -1.178 0.631 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.353 -0.731 1.956 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.089 -0.359 2.078 1.00 6.41 H new ATOM 699 N ILE A 44 -0.764 2.525 4.951 1.00 4.58 N ATOM 700 CA ILE A 44 -0.201 3.093 6.244 1.00 5.55 C ATOM 701 C ILE A 44 0.971 2.238 6.728 1.00 5.46 C ATOM 702 O ILE A 44 0.995 0.988 6.712 1.00 6.04 O ATOM 703 CB ILE A 44 -1.252 3.096 7.340 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.566 3.841 6.814 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.741 3.852 8.554 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.654 4.079 7.930 1.00 13.90 C ATOM 0 H ILE A 44 -0.854 1.510 4.989 1.00 4.58 H new ATOM 0 HA ILE A 44 0.124 4.113 6.038 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.474 2.064 7.610 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.281 4.803 6.387 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.008 3.253 6.009 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.503 3.847 9.333 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.163 3.371 8.928 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.515 4.881 8.273 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.514 4.589 7.496 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.969 3.120 8.341 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.231 4.693 8.725 1.00 13.90 H new ATOM 718 N PHE A 45 2.088 2.952 7.087 1.00 6.75 N ATOM 719 CA PHE A 45 3.382 2.425 7.452 1.00 4.70 C ATOM 720 C PHE A 45 4.052 3.566 8.200 1.00 6.34 C ATOM 721 O PHE A 45 3.818 4.738 7.932 1.00 5.45 O ATOM 722 CB PHE A 45 4.176 2.143 6.114 1.00 5.51 C ATOM 723 CG PHE A 45 5.522 1.489 6.373 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.546 0.203 6.859 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.654 2.347 6.241 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.819 -0.375 7.091 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.875 1.830 6.588 1.00 6.64 C ATOM 728 CZ PHE A 45 8.006 0.390 6.962 1.00 6.84 C ATOM 0 H PHE A 45 2.072 3.971 7.121 1.00 6.75 H new ATOM 0 HA PHE A 45 3.336 1.511 8.044 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.579 1.499 5.468 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.326 3.080 5.578 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.635 -0.343 7.055 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.553 3.361 5.883 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.886 -1.416 7.371 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.747 2.467 6.591 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.976 -0.055 7.129 1.00 6.84 H new ATOM 738 N ALA A 46 4.953 3.259 9.192 1.00 6.53 N ATOM 739 CA ALA A 46 5.714 4.257 9.973 1.00 7.15 C ATOM 740 C ALA A 46 4.852 5.141 10.853 1.00 9.00 C ATOM 741 O ALA A 46 5.229 6.231 11.225 1.00 11.15 O ATOM 742 CB ALA A 46 6.739 5.057 9.074 1.00 8.99 C ATOM 0 H ALA A 46 5.162 2.298 9.462 1.00 6.53 H new ATOM 0 HA ALA A 46 6.312 3.687 10.684 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.276 5.779 9.689 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.450 4.362 8.626 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.199 5.582 8.286 1.00 8.99 H new ATOM 748 N GLY A 47 3.652 4.667 11.245 1.00 9.35 N ATOM 749 CA GLY A 47 2.616 5.560 11.839 1.00 11.68 C ATOM 750 C GLY A 47 1.725 6.393 10.972 1.00 11.14 C ATOM 751 O GLY A 47 0.867 7.102 11.496 1.00 13.93 O ATOM 0 H GLY A 47 3.372 3.689 11.166 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.969 4.933 12.453 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.132 6.242 12.514 1.00 11.68 H new ATOM 755 N LYS A 48 1.897 6.341 9.587 1.00 10.47 N ATOM 756 CA LYS A 48 1.352 7.372 8.727 1.00 8.82 C ATOM 757 C LYS A 48 0.798 6.963 7.314 1.00 7.68 C ATOM 758 O LYS A 48 1.333 6.032 6.657 1.00 6.47 O ATOM 759 CB LYS A 48 2.398 8.506 8.478 1.00 9.74 C ATOM 760 CG LYS A 48 3.625 8.084 7.780 1.00 14.14 C ATOM 761 CD LYS A 48 4.616 9.166 7.360 1.00 16.32 C ATOM 762 CE LYS A 48 5.052 10.040 8.573 1.00 20.04 C ATOM 763 NZ LYS A 48 6.113 10.943 8.105 1.00 23.92 N ATOM 0 H LYS A 48 2.400 5.601 9.098 1.00 10.47 H new ATOM 0 HA LYS A 48 0.484 7.680 9.309 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.922 9.296 7.897 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.676 8.939 9.439 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.152 7.381 8.425 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.329 7.536 6.885 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.494 8.702 6.910 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.163 9.800 6.597 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.207 10.609 8.960 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.414 9.413 9.388 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.430 11.544 8.892 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.915 10.383 7.753 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.746 11.542 7.338 1.00 23.92 H new ATOM 777 N GLN A 49 -0.234 7.642 6.836 1.00 8.89 N ATOM 778 CA GLN A 49 -0.869 7.389 5.571 1.00 7.18 C ATOM 779 C GLN A 49 0.048 7.785 4.402 1.00 8.23 C ATOM 780 O GLN A 49 0.721 8.816 4.451 1.00 9.70 O ATOM 781 CB GLN A 49 -2.217 8.099 5.502 1.00 11.67 C ATOM 782 CG GLN A 49 -3.024 7.724 4.293 1.00 15.82 C ATOM 783 CD GLN A 49 -4.315 8.560 4.151 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.045 8.854 5.133 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.602 8.952 2.879 1.00 20.67 N ATOM 0 H GLN A 49 -0.662 8.414 7.347 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.053 6.318 5.483 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.790 7.865 6.399 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.053 9.177 5.501 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.413 7.853 3.400 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.285 6.667 4.350 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.982 8.691 2.113 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.437 9.507 2.693 1.00 20.67 H new ATOM 794 N LEU A 50 0.156 6.904 3.356 1.00 6.51 N ATOM 795 CA LEU A 50 1.124 7.066 2.285 1.00 7.41 C ATOM 796 C LEU A 50 0.539 7.643 0.980 1.00 8.27 C ATOM 797 O LEU A 50 -0.429 7.185 0.391 1.00 8.34 O ATOM 798 CB LEU A 50 1.768 5.665 1.917 1.00 7.13 C ATOM 799 CG LEU A 50 2.276 4.880 3.145 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.940 3.592 2.713 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.231 5.611 4.104 1.00 9.11 C ATOM 0 H LEU A 50 -0.433 6.077 3.257 1.00 6.51 H new ATOM 0 HA LEU A 50 1.854 7.775 2.675 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.029 5.061 1.390 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.598 5.825 1.229 1.00 7.13 H new ATOM 0 HG LEU A 50 1.363 4.715 3.717 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.292 3.052 3.592 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.222 2.976 2.172 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.786 3.819 2.064 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.508 4.944 4.920 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.127 5.915 3.563 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.735 6.493 4.509 1.00 9.11 H new ATOM 813 N GLU A 51 1.095 8.761 0.550 1.00 9.43 N ATOM 814 CA GLU A 51 0.749 9.511 -0.615 1.00 11.90 C ATOM 815 C GLU A 51 1.126 8.754 -1.854 1.00 11.49 C ATOM 816 O GLU A 51 2.079 8.028 -1.794 1.00 9.88 O ATOM 817 CB GLU A 51 1.320 10.946 -0.520 1.00 16.56 C ATOM 818 CG GLU A 51 0.910 11.602 0.856 1.00 26.06 C ATOM 819 CD GLU A 51 1.202 13.107 0.915 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.453 13.390 0.813 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.343 13.988 1.103 1.00 33.44 O ATOM 0 H GLU A 51 1.865 9.193 1.060 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.332 9.639 -0.679 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.406 10.921 -0.611 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.945 11.550 -1.346 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.154 11.437 1.028 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.445 11.102 1.664 1.00 26.06 H new ATOM 828 N ASP A 52 0.341 8.967 -2.887 1.00 12.71 N ATOM 829 CA ASP A 52 0.230 8.174 -4.074 1.00 16.56 C ATOM 830 C ASP A 52 1.420 8.170 -4.983 1.00 15.83 C ATOM 831 O ASP A 52 1.926 7.108 -5.388 1.00 17.21 O ATOM 832 CB ASP A 52 -1.012 8.572 -4.946 1.00 21.05 C ATOM 833 CG ASP A 52 -2.172 8.672 -4.056 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.759 7.574 -3.785 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.593 9.788 -3.635 1.00 25.82 O ATOM 0 H ASP A 52 -0.287 9.771 -2.912 1.00 12.71 H new ATOM 0 HA ASP A 52 0.130 7.171 -3.658 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.835 9.522 -5.451 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.189 7.827 -5.721 1.00 21.05 H new ATOM 840 N GLY A 53 1.950 9.384 -5.299 1.00 15.00 N ATOM 841 CA GLY A 53 3.121 9.638 -6.122 1.00 11.77 C ATOM 842 C GLY A 53 4.475 9.484 -5.560 1.00 11.10 C ATOM 843 O GLY A 53 5.509 9.639 -6.248 1.00 11.25 O ATOM 0 H GLY A 53 1.532 10.249 -4.956 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.055 8.980 -6.988 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.040 10.660 -6.491 1.00 11.77 H new ATOM 847 N ARG A 54 4.533 9.236 -4.243 1.00 8.53 N ATOM 848 CA ARG A 54 5.744 8.863 -3.559 1.00 9.05 C ATOM 849 C ARG A 54 6.235 7.461 -3.895 1.00 8.96 C ATOM 850 O ARG A 54 5.520 6.504 -4.210 1.00 11.60 O ATOM 851 CB ARG A 54 5.564 8.875 -2.035 1.00 7.97 C ATOM 852 CG ARG A 54 6.854 9.286 -1.218 1.00 9.62 C ATOM 853 CD ARG A 54 7.434 10.624 -1.519 1.00 12.20 C ATOM 854 NE ARG A 54 6.200 11.558 -1.541 1.00 18.23 N ATOM 855 CZ ARG A 54 5.475 12.084 -0.512 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.861 11.933 0.741 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.371 12.792 -0.849 1.00 23.38 N ATOM 0 H ARG A 54 3.720 9.294 -3.630 1.00 8.53 H new ATOM 0 HA ARG A 54 6.467 9.606 -3.897 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.757 9.564 -1.784 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.248 7.883 -1.713 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.611 9.251 -0.156 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.623 8.534 -1.394 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.154 10.929 -0.760 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.957 10.628 -2.475 1.00 12.20 H new ATOM 0 HE ARG A 54 5.878 11.822 -2.472 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.714 11.416 0.953 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.306 12.333 1.497 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.120 12.909 -1.831 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.790 13.209 -0.121 1.00 23.38 H new ATOM 871 N THR A 55 7.572 7.394 -3.805 1.00 9.05 N ATOM 872 CA THR A 55 8.317 6.184 -3.972 1.00 9.03 C ATOM 873 C THR A 55 8.425 5.544 -2.580 1.00 8.15 C ATOM 874 O THR A 55 8.084 6.162 -1.546 1.00 5.91 O ATOM 875 CB THR A 55 9.793 6.147 -4.557 1.00 11.15 C ATOM 876 OG1 THR A 55 10.655 6.968 -3.806 1.00 11.95 O ATOM 877 CG2 THR A 55 9.809 6.619 -6.010 1.00 11.71 C ATOM 0 H THR A 55 8.156 8.207 -3.610 1.00 9.05 H new ATOM 0 HA THR A 55 7.741 5.696 -4.759 1.00 9.03 H new ATOM 0 HB THR A 55 10.139 5.115 -4.502 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.431 6.446 -3.514 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.829 6.586 -6.392 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.175 5.967 -6.611 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.434 7.641 -6.065 1.00 11.71 H new ATOM 885 N LEU A 56 8.626 4.189 -2.554 1.00 6.91 N ATOM 886 CA LEU A 56 8.745 3.223 -1.413 1.00 8.29 C ATOM 887 C LEU A 56 10.021 3.619 -0.656 1.00 8.05 C ATOM 888 O LEU A 56 10.020 3.800 0.537 1.00 10.17 O ATOM 889 CB LEU A 56 8.802 1.763 -1.903 1.00 6.60 C ATOM 890 CG LEU A 56 7.366 1.208 -2.243 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.448 -0.107 -3.056 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.472 1.101 -1.037 1.00 8.64 C ATOM 0 H LEU A 56 8.720 3.689 -3.438 1.00 6.91 H new ATOM 0 HA LEU A 56 7.871 3.273 -0.764 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.436 1.700 -2.788 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.262 1.139 -1.136 1.00 6.60 H new ATOM 0 HG LEU A 56 6.885 1.948 -2.883 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.441 -0.463 -3.274 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.979 0.075 -3.990 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.982 -0.860 -2.477 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.499 0.713 -1.339 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.922 0.426 -0.309 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.346 2.087 -0.589 1.00 8.64 H new ATOM 904 N SER A 57 11.152 3.890 -1.396 1.00 8.92 N ATOM 905 CA SER A 57 12.452 4.282 -0.811 1.00 9.00 C ATOM 906 C SER A 57 12.284 5.461 0.183 1.00 9.44 C ATOM 907 O SER A 57 12.674 5.469 1.378 1.00 10.91 O ATOM 908 CB SER A 57 13.544 4.667 -1.852 1.00 10.32 C ATOM 909 OG SER A 57 12.958 5.464 -2.875 1.00 13.59 O ATOM 0 H SER A 57 11.169 3.838 -2.415 1.00 8.92 H new ATOM 0 HA SER A 57 12.798 3.384 -0.299 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.350 5.215 -1.365 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.985 3.768 -2.283 1.00 10.32 H new ATOM 0 HG SER A 57 13.643 5.710 -3.531 1.00 13.59 H new ATOM 915 N ASP A 58 11.614 6.513 -0.247 1.00 9.11 N ATOM 916 CA ASP A 58 11.342 7.789 0.462 1.00 7.91 C ATOM 917 C ASP A 58 10.470 7.615 1.719 1.00 9.12 C ATOM 918 O ASP A 58 10.541 8.434 2.644 1.00 8.61 O ATOM 919 CB ASP A 58 10.719 8.771 -0.549 1.00 8.41 C ATOM 920 CG ASP A 58 11.098 10.216 -0.174 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.423 10.800 0.695 1.00 10.05 O ATOM 922 OD2 ASP A 58 12.148 10.620 -0.724 1.00 11.70 O ATOM 0 H ASP A 58 11.202 6.516 -1.180 1.00 9.11 H new ATOM 0 HA ASP A 58 12.282 8.189 0.841 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.070 8.543 -1.555 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.635 8.660 -0.557 1.00 8.41 H new ATOM 927 N TYR A 59 9.717 6.571 1.775 1.00 7.97 N ATOM 928 CA TYR A 59 8.893 6.139 2.941 1.00 8.45 C ATOM 929 C TYR A 59 9.529 5.087 3.786 1.00 10.98 C ATOM 930 O TYR A 59 8.919 4.575 4.727 1.00 12.95 O ATOM 931 CB TYR A 59 7.477 5.741 2.503 1.00 7.94 C ATOM 932 CG TYR A 59 6.552 6.855 2.296 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.337 7.874 3.281 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.721 6.920 1.138 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.376 8.830 3.194 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.671 7.850 1.044 1.00 6.52 C ATOM 937 CZ TYR A 59 4.510 8.778 2.088 1.00 6.76 C ATOM 938 OH TYR A 59 3.453 9.664 2.041 1.00 7.63 O ATOM 0 H TYR A 59 9.628 5.934 0.983 1.00 7.97 H new ATOM 0 HA TYR A 59 8.820 7.013 3.589 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.547 5.171 1.576 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.055 5.075 3.255 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.981 7.882 4.148 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.902 6.241 0.318 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.281 9.600 3.945 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.006 7.852 0.193 1.00 6.52 H new ATOM 0 HH TYR A 59 3.531 10.224 1.241 1.00 7.63 H new ATOM 948 N ASN A 60 10.797 4.755 3.476 1.00 12.38 N ATOM 949 CA ASN A 60 11.745 3.936 4.242 1.00 13.94 C ATOM 950 C ASN A 60 11.287 2.481 4.246 1.00 14.16 C ATOM 951 O ASN A 60 11.201 1.885 5.340 1.00 14.26 O ATOM 952 CB ASN A 60 12.100 4.462 5.670 1.00 19.23 C ATOM 953 CG ASN A 60 12.574 5.877 5.533 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.665 6.084 5.048 1.00 25.45 O ATOM 955 ND2 ASN A 60 11.713 6.863 5.735 1.00 24.09 N ATOM 0 H ASN A 60 11.217 5.084 2.606 1.00 12.38 H new ATOM 0 HA ASN A 60 12.698 4.015 3.719 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.228 4.413 6.323 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.873 3.842 6.124 1.00 19.23 H new ATOM 0 HD21 ASN A 60 11.963 7.819 5.481 1.00 24.09 H new ATOM 0 HD22 ASN A 60 10.800 6.667 6.145 1.00 24.09 H new ATOM 962 N ILE A 61 10.890 1.885 3.073 1.00 11.08 N ATOM 963 CA ILE A 61 10.220 0.538 2.960 1.00 11.78 C ATOM 964 C ILE A 61 11.285 -0.390 2.377 1.00 13.74 C ATOM 965 O ILE A 61 11.997 -0.062 1.399 1.00 14.60 O ATOM 966 CB ILE A 61 8.997 0.612 2.107 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.941 1.407 2.931 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.419 -0.779 1.841 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.697 1.807 2.153 1.00 11.42 C ATOM 0 H ILE A 61 11.028 2.332 2.166 1.00 11.08 H new ATOM 0 HA ILE A 61 9.867 0.170 3.923 1.00 11.78 H new ATOM 0 HB ILE A 61 9.241 1.075 1.151 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.639 0.804 3.787 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.411 2.308 3.326 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.530 -0.690 1.217 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.162 -1.390 1.328 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.153 -1.250 2.788 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.019 2.356 2.807 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.981 2.440 1.312 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.197 0.913 1.781 1.00 11.42 H new ATOM 981 N GLN A 62 11.404 -1.667 2.796 1.00 13.97 N ATOM 982 CA GLN A 62 12.467 -2.582 2.486 1.00 15.52 C ATOM 983 C GLN A 62 11.883 -3.935 2.184 1.00 13.94 C ATOM 984 O GLN A 62 10.703 -4.104 2.349 1.00 12.15 O ATOM 985 CB GLN A 62 13.525 -2.641 3.581 1.00 19.53 C ATOM 986 CG GLN A 62 14.067 -1.228 3.978 1.00 26.38 C ATOM 987 CD GLN A 62 15.108 -1.238 5.098 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.292 -0.974 4.909 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.569 -1.452 6.343 1.00 32.71 N ATOM 0 H GLN A 62 10.700 -2.093 3.400 1.00 13.97 H new ATOM 0 HA GLN A 62 12.990 -2.219 1.601 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.103 -3.124 4.462 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.355 -3.262 3.245 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.505 -0.760 3.096 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.228 -0.604 4.285 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.577 -1.668 6.439 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.161 -1.395 7.172 1.00 32.71 H new ATOM 998 N LYS A 63 12.707 -4.886 1.751 1.00 11.73 N ATOM 999 CA LYS A 63 12.264 -6.252 1.633 1.00 11.97 C ATOM 1000 C LYS A 63 11.661 -6.785 2.931 1.00 10.41 C ATOM 1001 O LYS A 63 12.173 -6.569 4.018 1.00 9.59 O ATOM 1002 CB LYS A 63 13.407 -7.093 1.140 1.00 13.73 C ATOM 1003 CG LYS A 63 14.574 -7.466 2.085 1.00 16.98 C ATOM 1004 CD LYS A 63 15.704 -8.235 1.415 1.00 20.19 C ATOM 1005 CE LYS A 63 16.947 -8.582 2.286 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.726 -9.346 3.494 1.00 25.97 N ATOM 0 H LYS A 63 13.677 -4.727 1.480 1.00 11.73 H new ATOM 0 HA LYS A 63 11.453 -6.299 0.906 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.983 -8.026 0.769 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.840 -6.577 0.283 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.980 -6.552 2.519 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.182 -8.064 2.908 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.294 -9.167 1.027 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.045 -7.655 0.557 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.650 -9.135 1.663 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.434 -7.647 2.564 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.634 -9.505 3.975 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.088 -8.821 4.125 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.297 -10.262 3.252 1.00 25.97 H new ATOM 1020 N GLU A 64 10.510 -7.494 2.740 1.00 10.04 N ATOM 1021 CA GLU A 64 9.847 -8.235 3.788 1.00 10.94 C ATOM 1022 C GLU A 64 9.187 -7.322 4.834 1.00 9.74 C ATOM 1023 O GLU A 64 8.895 -7.776 5.924 1.00 9.42 O ATOM 1024 CB GLU A 64 10.638 -9.474 4.277 1.00 18.31 C ATOM 1025 CG GLU A 64 11.078 -10.391 3.162 1.00 24.16 C ATOM 1026 CD GLU A 64 11.880 -11.558 3.701 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.941 -11.311 4.226 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.368 -12.721 3.672 1.00 32.61 O ATOM 0 H GLU A 64 10.035 -7.550 1.839 1.00 10.04 H new ATOM 0 HA GLU A 64 8.978 -8.729 3.353 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.517 -9.139 4.828 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.019 -10.037 4.976 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.204 -10.762 2.626 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.679 -9.833 2.444 1.00 24.16 H new ATOM 1035 N SER A 65 9.021 -6.056 4.472 1.00 6.85 N ATOM 1036 CA SER A 65 8.344 -5.056 5.320 1.00 6.90 C ATOM 1037 C SER A 65 6.911 -5.471 5.466 1.00 4.72 C ATOM 1038 O SER A 65 6.418 -6.136 4.529 1.00 3.91 O ATOM 1039 CB SER A 65 8.443 -3.639 4.680 1.00 7.28 C ATOM 1040 OG SER A 65 9.783 -3.205 4.698 1.00 10.56 O ATOM 0 H SER A 65 9.349 -5.683 3.581 1.00 6.85 H new ATOM 0 HA SER A 65 8.822 -5.006 6.298 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.072 -3.665 3.655 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.815 -2.937 5.228 1.00 7.28 H new ATOM 0 HG SER A 65 10.313 -3.754 4.083 1.00 10.56 H new ATOM 1046 N THR A 66 6.234 -5.157 6.562 1.00 4.48 N ATOM 1047 CA THR A 66 4.825 -5.284 6.682 1.00 3.80 C ATOM 1048 C THR A 66 4.261 -3.849 6.545 1.00 4.60 C ATOM 1049 O THR A 66 4.579 -2.922 7.295 1.00 5.33 O ATOM 1050 CB THR A 66 4.381 -5.919 7.973 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.801 -7.279 8.006 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.874 -5.860 8.010 1.00 3.40 C ATOM 0 H THR A 66 6.682 -4.798 7.405 1.00 4.48 H new ATOM 0 HA THR A 66 4.449 -5.955 5.910 1.00 3.80 H new ATOM 0 HB THR A 66 4.813 -5.397 8.827 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.513 -7.690 8.848 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.515 -6.313 8.934 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.549 -4.820 7.965 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.468 -6.404 7.158 1.00 3.40 H new ATOM 1060 N LEU A 67 3.364 -3.631 5.535 1.00 4.17 N ATOM 1061 CA LEU A 67 2.545 -2.485 5.299 1.00 3.85 C ATOM 1062 C LEU A 67 1.118 -2.746 5.816 1.00 3.80 C ATOM 1063 O LEU A 67 0.706 -3.884 5.995 1.00 5.54 O ATOM 1064 CB LEU A 67 2.456 -1.986 3.779 1.00 7.18 C ATOM 1065 CG LEU A 67 3.751 -1.633 3.001 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.521 -0.881 1.698 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.802 -0.814 3.866 1.00 11.66 C ATOM 0 H LEU A 67 3.211 -4.343 4.821 1.00 4.17 H new ATOM 0 HA LEU A 67 3.042 -1.682 5.843 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.939 -2.761 3.213 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.818 -1.102 3.765 1.00 7.18 H new ATOM 0 HG LEU A 67 4.158 -2.616 2.763 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.480 -0.676 1.222 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.907 -1.487 1.032 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.011 0.060 1.906 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.683 -0.601 3.261 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.352 0.123 4.194 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.093 -1.401 4.737 1.00 11.66 H new ATOM 1079 N HIS A 68 0.317 -1.681 6.125 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.078 -1.779 6.476 1.00 4.17 C ATOM 1081 C HIS A 68 -2.020 -1.057 5.482 1.00 5.32 C ATOM 1082 O HIS A 68 -1.596 -0.216 4.751 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.414 -1.061 7.811 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.136 -1.945 9.008 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.602 -1.701 10.264 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.482 -3.093 9.068 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.317 -2.775 11.061 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.600 -3.624 10.351 1.00 16.30 N ATOM 0 H HIS A 68 0.662 -0.721 6.128 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.232 -2.858 6.504 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.827 -0.146 7.890 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.464 -0.767 7.812 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.059 -3.548 8.251 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.624 -2.905 12.088 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.205 -4.505 10.680 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.324 -1.499 5.392 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.300 -1.034 4.462 1.00 3.97 C ATOM 1098 C LEU A 69 -5.640 -0.731 5.262 1.00 5.07 C ATOM 1099 O LEU A 69 -6.151 -1.606 6.015 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.465 -2.033 3.335 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.724 -1.944 2.415 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.809 -0.624 1.696 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.775 -3.056 1.387 1.00 9.96 C ATOM 0 H LEU A 69 -3.691 -2.220 6.013 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.988 -0.107 3.982 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.586 -1.954 2.696 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.451 -3.030 3.776 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.575 -2.046 3.089 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.700 -0.608 1.068 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.864 0.184 2.425 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.924 -0.491 1.073 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.670 -2.945 0.775 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.892 -3.004 0.750 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.800 -4.020 1.895 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.192 0.429 4.978 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.595 0.738 5.488 1.00 6.26 C ATOM 1117 C VAL A 70 -8.279 1.433 4.326 1.00 9.22 C ATOM 1118 O VAL A 70 -7.644 1.888 3.376 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.730 1.597 6.700 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.193 0.819 7.898 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.853 2.890 6.507 1.00 8.54 C ATOM 0 H VAL A 70 -5.753 1.168 4.429 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.026 -0.208 5.816 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.773 1.873 6.857 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.282 1.429 8.797 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.768 -0.098 8.023 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.145 0.570 7.730 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.944 3.526 7.387 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.810 2.605 6.371 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.197 3.435 5.628 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.589 1.403 4.341 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.377 2.032 3.285 1.00 16.06 C ATOM 1133 C LEU A 71 -10.827 3.415 3.668 1.00 18.09 C ATOM 1134 O LEU A 71 -11.266 3.666 4.841 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.556 1.190 2.684 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.089 -0.218 2.196 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.197 -0.840 1.326 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.896 -0.166 1.323 1.00 19.57 C ATOM 0 H LEU A 71 -10.142 0.951 5.070 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.668 2.099 2.460 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.335 1.071 3.437 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.999 1.733 1.849 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.862 -0.788 3.097 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.879 -1.824 0.981 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.109 -0.939 1.914 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.388 -0.198 0.466 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.623 -1.177 1.019 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.118 0.432 0.439 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.066 0.285 1.867 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.673 4.377 2.723 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.699 5.846 2.915 1.00 25.83 C ATOM 1152 C ARG A 72 -11.797 6.410 3.820 1.00 27.74 C ATOM 1153 O ARG A 72 -12.955 6.051 3.733 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.618 6.491 1.529 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.659 8.000 1.467 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.595 8.406 0.005 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.594 9.938 -0.103 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.127 10.513 -1.203 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.073 9.843 -2.399 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.722 11.814 -1.157 1.00 35.02 N ATOM 0 H ARG A 72 -10.518 4.130 1.746 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.828 6.117 3.512 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.695 6.158 1.055 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.442 6.106 0.928 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.572 8.377 1.929 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.822 8.428 2.019 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.696 7.998 -0.457 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.447 7.994 -0.535 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.949 10.508 0.664 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.397 8.878 -2.458 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.709 10.310 -3.229 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.780 12.335 -0.282 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.361 12.266 -1.997 1.00 35.02 H new ATOM 1174 N LEU A 73 -11.511 7.379 4.705 1.00 28.93 N ATOM 1175 CA LEU A 73 -12.449 7.963 5.641 1.00 30.76 C ATOM 1176 C LEU A 73 -12.376 9.445 5.464 1.00 32.18 C ATOM 1177 O LEU A 73 -11.342 10.007 5.775 1.00 32.31 O ATOM 1178 CB LEU A 73 -11.966 7.613 7.090 1.00 30.53 C ATOM 1179 CG LEU A 73 -12.911 8.083 8.263 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.041 6.985 8.427 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -12.152 8.274 9.554 1.00 29.11 C ATOM 0 H LEU A 73 -10.578 7.784 4.780 1.00 28.93 H new ATOM 0 HA LEU A 73 -13.462 7.595 5.480 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -11.842 6.532 7.160 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -10.982 8.057 7.242 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.347 9.053 8.022 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.717 7.275 9.232 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.602 6.898 7.496 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -13.584 6.025 8.666 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -12.839 8.598 10.336 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -11.688 7.332 9.846 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -11.380 9.031 9.414 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.368 10.141 4.846 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.167 11.513 4.461 1.00 35.33 C ATOM 1195 C ARG A 74 -13.091 12.516 5.585 1.00 36.22 C ATOM 1196 O ARG A 74 -12.415 13.556 5.438 1.00 36.70 O ATOM 1197 CB ARG A 74 -14.163 11.959 3.362 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.144 10.964 2.144 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.843 11.591 0.910 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.702 10.679 -0.261 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.214 11.120 -1.429 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.547 12.261 -1.539 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.300 10.272 -2.433 1.00 41.93 N ATOM 0 H ARG A 74 -14.287 9.761 4.619 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.160 11.514 4.044 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.169 12.011 3.778 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -13.907 12.962 3.020 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -13.114 10.708 1.894 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.645 10.036 2.419 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.898 11.763 1.125 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.402 12.561 0.683 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.982 9.702 -0.172 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.388 12.840 -0.715 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.193 12.559 -2.448 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.717 9.352 -2.289 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.950 10.535 -3.354 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.567 12.114 6.794 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.481 12.900 7.961 1.00 36.07 C ATOM 1219 C GLY A 75 -12.154 12.814 8.656 1.00 36.16 C ATOM 1220 O GLY A 75 -11.950 13.298 9.774 1.00 36.26 O ATOM 0 H GLY A 75 -14.021 11.213 6.941 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.677 13.940 7.702 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.264 12.591 8.654 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.198 12.134 8.057 1.00 36.05 N ATOM 1225 CA GLY A 76 -9.919 11.861 8.628 1.00 36.19 C ATOM 1226 C GLY A 76 -8.977 11.274 7.635 1.00 36.20 C ATOM 1227 O GLY A 76 -8.830 11.782 6.502 1.00 0.00 O ATOM 1228 OXT GLY A 76 -8.414 10.182 7.989 1.00 0.00 O ATOM 0 H GLY A 76 -11.308 11.745 7.120 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -9.496 12.783 9.027 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -10.036 11.174 9.467 1.00 36.19 H new TER 1232 GLY A 76