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 55 THR OG1 : rot -65:sc= 1.14 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 0.922 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.00808 USER MOD Set 2.2: A 25 ASN : amide:sc= 0 K(o=0.0081,f=1.1) USER MOD Set 3.1: A 7 THR OG1 : rot 125:sc= 1.77 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.37 (180deg=2.13) USER MOD Single : A 2 GLN : amide:sc= 0.661 K(o=0.66,f=-0.22) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.538 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.65 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 1.44 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.382 K(o=-0.38,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 1.04 (180deg=0.671) USER MOD Single : A 40 GLN : amide:sc= 0.571 K(o=0.57,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= 0.636 K(o=0.64,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.93 (180deg=0.872) USER MOD Single : A 49 GLN : amide:sc= 0.702 K(o=0.7,f=-6.7!) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.464 USER MOD Single : A 60 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.66) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 96:sc= 1.21 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 33.412 51.902 19.616 1.00 0.00 N ATOM 2 CA MET A 1 33.747 52.274 20.999 1.00 0.00 C ATOM 3 C MET A 1 35.249 52.521 21.155 1.00 0.00 C ATOM 4 O MET A 1 36.052 51.869 20.491 1.00 0.00 O ATOM 5 CB MET A 1 33.271 51.247 22.023 1.00 0.00 C ATOM 6 CG MET A 1 33.915 49.869 21.898 1.00 0.00 C ATOM 7 SD MET A 1 33.393 48.700 23.177 1.00 0.00 S ATOM 8 CE MET A 1 34.539 47.339 22.850 1.00 0.00 C ATOM 0 H1 MET A 1 32.379 51.840 19.514 1.00 0.00 H new ATOM 0 H2 MET A 1 33.782 52.623 18.963 1.00 0.00 H new ATOM 0 H3 MET A 1 33.838 50.980 19.391 1.00 0.00 H new ATOM 0 HA MET A 1 33.211 53.201 21.202 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.467 51.634 23.023 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.191 51.137 21.930 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.675 49.453 20.919 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.999 49.979 21.940 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.352 46.529 23.555 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.392 46.976 21.833 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.564 47.691 22.965 1.00 0.00 H new ATOM 20 N GLN A 2 35.638 53.397 22.077 1.00 0.00 N ATOM 21 CA GLN A 2 37.030 53.607 22.422 1.00 0.00 C ATOM 22 C GLN A 2 37.448 52.684 23.567 1.00 0.00 C ATOM 23 O GLN A 2 36.635 52.372 24.434 1.00 0.00 O ATOM 24 CB GLN A 2 37.300 55.076 22.732 1.00 0.00 C ATOM 25 CG GLN A 2 36.985 56.036 21.589 1.00 0.00 C ATOM 26 CD GLN A 2 35.514 56.454 21.538 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.036 57.203 22.387 1.00 0.00 O ATOM 28 NE2 GLN A 2 34.738 56.033 20.543 1.00 0.00 N ATOM 0 H GLN A 2 34.989 53.981 22.605 1.00 0.00 H new ATOM 0 HA GLN A 2 37.645 53.348 21.560 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.711 55.364 23.603 1.00 0.00 H new ATOM 0 HB3 GLN A 2 38.349 55.189 23.005 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.605 56.927 21.690 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.255 55.565 20.644 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.117 55.411 19.829 1.00 0.00 H new ATOM 0 HE22 GLN A 2 33.764 56.332 20.494 1.00 0.00 H new ATOM 37 N ILE A 3 38.709 52.261 23.594 1.00 0.00 N ATOM 38 CA ILE A 3 39.358 51.736 24.778 1.00 0.00 C ATOM 39 C ILE A 3 40.745 52.353 24.970 1.00 0.00 C ATOM 40 O ILE A 3 41.379 52.792 24.013 1.00 0.00 O ATOM 41 CB ILE A 3 39.411 50.213 24.866 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.545 49.527 24.111 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.074 49.540 24.565 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.607 49.764 22.606 1.00 0.00 C ATOM 0 H ILE A 3 39.315 52.277 22.774 1.00 0.00 H new ATOM 0 HA ILE A 3 38.715 52.039 25.605 1.00 0.00 H new ATOM 0 HB ILE A 3 39.646 50.062 25.920 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.490 49.853 24.546 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.468 48.453 24.284 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.185 48.459 24.646 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.325 49.882 25.279 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.756 49.798 23.555 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.456 49.223 22.187 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.686 49.409 22.143 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.724 50.830 22.410 1.00 0.00 H new ATOM 56 N PHE A 4 41.243 52.309 26.202 1.00 0.00 N ATOM 57 CA PHE A 4 42.591 52.710 26.549 1.00 0.00 C ATOM 58 C PHE A 4 43.532 51.504 26.577 1.00 0.00 C ATOM 59 O PHE A 4 43.219 50.472 27.166 1.00 0.00 O ATOM 60 CB PHE A 4 42.583 53.443 27.887 1.00 0.00 C ATOM 61 CG PHE A 4 41.721 54.682 27.922 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.973 55.732 27.032 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.668 54.787 28.838 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.172 56.881 27.051 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.869 55.937 28.863 1.00 0.00 C ATOM 66 CZ PHE A 4 40.119 56.984 27.967 1.00 0.00 C ATOM 0 H PHE A 4 40.702 51.984 27.003 1.00 0.00 H new ATOM 0 HA PHE A 4 42.965 53.391 25.785 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.239 52.756 28.660 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.606 53.721 28.140 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.788 55.656 26.328 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.471 53.979 29.527 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.367 57.687 26.359 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.060 56.016 29.574 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.500 57.869 27.983 1.00 0.00 H new ATOM 76 N VAL A 5 44.705 51.653 25.969 1.00 0.00 N ATOM 77 CA VAL A 5 45.783 50.685 25.970 1.00 0.00 C ATOM 78 C VAL A 5 47.019 51.345 26.582 1.00 0.00 C ATOM 79 O VAL A 5 47.556 52.296 26.019 1.00 0.00 O ATOM 80 CB VAL A 5 46.044 50.150 24.564 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.157 49.106 24.581 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.808 49.494 23.955 1.00 0.00 C ATOM 0 H VAL A 5 44.935 52.494 25.439 1.00 0.00 H new ATOM 0 HA VAL A 5 45.511 49.819 26.573 1.00 0.00 H new ATOM 0 HB VAL A 5 46.328 51.013 23.962 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.326 48.738 23.569 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.073 49.557 24.961 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.867 48.276 25.225 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.045 49.130 22.955 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.494 48.659 24.581 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.001 50.225 23.893 1.00 0.00 H new ATOM 92 N LYS A 6 47.459 50.866 27.742 1.00 0.00 N ATOM 93 CA LYS A 6 48.525 51.445 28.536 1.00 0.00 C ATOM 94 C LYS A 6 49.782 50.573 28.547 1.00 0.00 C ATOM 95 O LYS A 6 49.700 49.356 28.698 1.00 0.00 O ATOM 96 CB LYS A 6 48.000 51.763 29.933 1.00 0.00 C ATOM 97 CG LYS A 6 48.974 52.617 30.739 1.00 0.00 C ATOM 98 CD LYS A 6 48.395 53.157 32.044 1.00 0.00 C ATOM 99 CE LYS A 6 48.058 52.042 33.030 1.00 0.00 C ATOM 100 NZ LYS A 6 47.753 52.575 34.368 1.00 0.00 N ATOM 0 H LYS A 6 47.062 50.028 28.168 1.00 0.00 H new ATOM 0 HA LYS A 6 48.842 52.380 28.075 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.046 52.284 29.850 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.809 50.832 30.467 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.860 52.024 30.965 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.300 53.456 30.124 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.110 53.840 32.502 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.495 53.734 31.829 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.204 51.475 32.660 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.896 51.349 33.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.529 51.790 35.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.577 53.095 34.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.937 53.217 34.308 1.00 0.00 H new ATOM 114 N THR A 7 50.948 51.191 28.389 1.00 0.00 N ATOM 115 CA THR A 7 52.236 50.530 28.466 1.00 0.00 C ATOM 116 C THR A 7 52.702 50.319 29.908 1.00 0.00 C ATOM 117 O THR A 7 52.282 51.022 30.825 1.00 0.00 O ATOM 118 CB THR A 7 53.314 51.311 27.719 1.00 0.00 C ATOM 119 OG1 THR A 7 53.513 52.563 28.336 1.00 0.00 O ATOM 120 CG2 THR A 7 52.996 51.549 26.247 1.00 0.00 C ATOM 0 H THR A 7 51.020 52.191 28.199 1.00 0.00 H new ATOM 0 HA THR A 7 52.092 49.557 27.997 1.00 0.00 H new ATOM 0 HB THR A 7 54.211 50.694 27.764 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.459 52.665 28.572 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.809 52.110 25.785 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.882 50.591 25.740 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.069 52.117 26.162 1.00 0.00 H new ATOM 128 N LEU A 8 53.654 49.414 30.115 1.00 0.00 N ATOM 129 CA LEU A 8 54.350 49.262 31.376 1.00 0.00 C ATOM 130 C LEU A 8 55.173 50.498 31.741 1.00 0.00 C ATOM 131 O LEU A 8 55.393 50.772 32.920 1.00 0.00 O ATOM 132 CB LEU A 8 55.222 48.010 31.344 1.00 0.00 C ATOM 133 CG LEU A 8 54.476 46.697 31.124 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.471 45.546 31.245 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.353 46.459 32.131 1.00 0.00 C ATOM 0 H LEU A 8 53.964 48.759 29.397 1.00 0.00 H new ATOM 0 HA LEU A 8 53.598 49.151 32.157 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.963 48.124 30.553 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.768 47.944 32.285 1.00 0.00 H new ATOM 0 HG LEU A 8 54.022 46.753 30.135 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.953 44.600 31.090 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.252 45.660 30.493 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.920 45.556 32.238 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.866 45.508 31.915 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.767 46.434 33.139 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.623 47.265 32.059 1.00 0.00 H new ATOM 147 N THR A 9 55.549 51.312 30.759 1.00 0.00 N ATOM 148 CA THR A 9 56.185 52.603 30.936 1.00 0.00 C ATOM 149 C THR A 9 55.221 53.734 31.300 1.00 0.00 C ATOM 150 O THR A 9 55.650 54.867 31.503 1.00 0.00 O ATOM 151 CB THR A 9 56.989 52.974 29.694 1.00 0.00 C ATOM 152 OG1 THR A 9 56.138 53.013 28.571 1.00 0.00 O ATOM 153 CG2 THR A 9 58.096 51.972 29.378 1.00 0.00 C ATOM 0 H THR A 9 55.410 51.074 29.777 1.00 0.00 H new ATOM 0 HA THR A 9 56.849 52.490 31.793 1.00 0.00 H new ATOM 0 HB THR A 9 57.440 53.944 29.905 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.657 53.253 27.775 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.632 52.291 28.484 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.790 51.919 30.217 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.658 50.988 29.207 1.00 0.00 H new ATOM 161 N GLY A 10 53.925 53.458 31.420 1.00 0.00 N ATOM 162 CA GLY A 10 52.921 54.388 31.895 1.00 0.00 C ATOM 163 C GLY A 10 52.353 55.353 30.852 1.00 0.00 C ATOM 164 O GLY A 10 51.763 56.363 31.227 1.00 0.00 O ATOM 0 H GLY A 10 53.538 52.546 31.179 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.096 53.816 32.319 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.352 54.974 32.706 1.00 0.00 H new ATOM 168 N LYS A 11 52.527 55.073 29.563 1.00 0.00 N ATOM 169 CA LYS A 11 52.006 55.848 28.456 1.00 0.00 C ATOM 170 C LYS A 11 50.714 55.217 27.931 1.00 0.00 C ATOM 171 O LYS A 11 50.669 53.999 27.772 1.00 0.00 O ATOM 172 CB LYS A 11 53.097 55.941 27.394 1.00 0.00 C ATOM 173 CG LYS A 11 52.775 56.917 26.266 1.00 0.00 C ATOM 174 CD LYS A 11 53.980 57.100 25.348 1.00 0.00 C ATOM 175 CE LYS A 11 53.663 58.099 24.240 1.00 0.00 C ATOM 176 NZ LYS A 11 54.847 58.374 23.411 1.00 0.00 N ATOM 0 H LYS A 11 53.061 54.260 29.255 1.00 0.00 H new ATOM 0 HA LYS A 11 51.743 56.858 28.769 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.030 56.245 27.870 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.263 54.951 26.969 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.926 56.547 25.690 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.481 57.880 26.685 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.835 57.449 25.927 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.261 56.141 24.912 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.861 57.708 23.614 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.300 59.028 24.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.599 59.057 22.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.603 58.770 24.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 55.177 57.490 22.974 1.00 0.00 H new ATOM 190 N THR A 12 49.680 56.006 27.653 1.00 0.00 N ATOM 191 CA THR A 12 48.383 55.518 27.230 1.00 0.00 C ATOM 192 C THR A 12 48.047 55.926 25.795 1.00 0.00 C ATOM 193 O THR A 12 48.087 57.104 25.446 1.00 0.00 O ATOM 194 CB THR A 12 47.259 55.944 28.171 1.00 0.00 C ATOM 195 OG1 THR A 12 47.536 55.544 29.494 1.00 0.00 O ATOM 196 CG2 THR A 12 45.932 55.291 27.800 1.00 0.00 C ATOM 0 H THR A 12 49.728 57.023 27.719 1.00 0.00 H new ATOM 0 HA THR A 12 48.458 54.431 27.267 1.00 0.00 H new ATOM 0 HB THR A 12 47.191 57.028 28.085 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.805 55.828 30.081 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.158 55.620 28.494 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.656 55.579 26.785 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.032 54.207 27.855 1.00 0.00 H new ATOM 204 N ILE A 13 47.635 54.944 24.999 1.00 0.00 N ATOM 205 CA ILE A 13 47.080 55.062 23.665 1.00 0.00 C ATOM 206 C ILE A 13 45.561 54.907 23.770 1.00 0.00 C ATOM 207 O ILE A 13 45.074 54.074 24.531 1.00 0.00 O ATOM 208 CB ILE A 13 47.700 54.006 22.755 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.214 54.159 22.638 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.080 54.039 21.360 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.931 52.903 22.155 1.00 0.00 C ATOM 0 H ILE A 13 47.687 53.970 25.299 1.00 0.00 H new ATOM 0 HA ILE A 13 47.306 56.035 23.229 1.00 0.00 H new ATOM 0 HB ILE A 13 47.488 53.044 23.221 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.434 54.977 21.951 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.616 54.443 23.611 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.544 53.274 20.737 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.010 53.847 21.433 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.243 55.019 20.913 1.00 0.00 H new ATOM 0 HD11 ILE A 13 51.003 53.095 22.099 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.744 52.086 22.853 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.559 52.629 21.168 1.00 0.00 H new ATOM 223 N THR A 14 44.792 55.661 22.990 1.00 0.00 N ATOM 224 CA THR A 14 43.366 55.482 22.810 1.00 0.00 C ATOM 225 C THR A 14 43.103 54.925 21.409 1.00 0.00 C ATOM 226 O THR A 14 43.693 55.407 20.446 1.00 0.00 O ATOM 227 CB THR A 14 42.620 56.798 23.015 1.00 0.00 C ATOM 228 OG1 THR A 14 42.982 57.367 24.253 1.00 0.00 O ATOM 229 CG2 THR A 14 41.103 56.633 23.049 1.00 0.00 C ATOM 0 H THR A 14 45.165 56.441 22.448 1.00 0.00 H new ATOM 0 HA THR A 14 42.998 54.777 23.555 1.00 0.00 H new ATOM 0 HB THR A 14 42.895 57.425 22.167 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.427 56.983 24.964 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.634 57.606 23.198 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.762 56.206 22.106 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.828 55.969 23.868 1.00 0.00 H new ATOM 237 N LEU A 15 42.257 53.905 21.292 1.00 0.00 N ATOM 238 CA LEU A 15 41.994 53.203 20.051 1.00 0.00 C ATOM 239 C LEU A 15 40.503 52.948 19.826 1.00 0.00 C ATOM 240 O LEU A 15 39.770 52.691 20.779 1.00 0.00 O ATOM 241 CB LEU A 15 42.787 51.899 20.073 1.00 0.00 C ATOM 242 CG LEU A 15 43.066 51.305 18.696 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.307 51.935 18.068 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.300 49.803 18.840 1.00 0.00 C ATOM 0 H LEU A 15 41.725 53.539 22.081 1.00 0.00 H new ATOM 0 HA LEU A 15 42.311 53.825 19.214 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.737 52.075 20.578 1.00 0.00 H new ATOM 0 HB3 LEU A 15 42.241 51.166 20.667 1.00 0.00 H new ATOM 0 HG LEU A 15 42.208 51.504 18.054 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.483 51.493 17.087 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.155 53.009 17.960 1.00 0.00 H new ATOM 0 HD13 LEU A 15 45.171 51.753 18.708 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.500 49.370 17.860 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.154 49.629 19.495 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.413 49.336 19.268 1.00 0.00 H new ATOM 256 N GLU A 16 40.061 52.970 18.571 1.00 0.00 N ATOM 257 CA GLU A 16 38.681 52.794 18.169 1.00 0.00 C ATOM 258 C GLU A 16 38.411 51.374 17.669 1.00 0.00 C ATOM 259 O GLU A 16 39.055 50.892 16.739 1.00 0.00 O ATOM 260 CB GLU A 16 38.358 53.887 17.153 1.00 0.00 C ATOM 261 CG GLU A 16 36.955 53.864 16.553 1.00 0.00 C ATOM 262 CD GLU A 16 35.868 54.139 17.595 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.737 55.293 18.057 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.113 53.201 17.928 1.00 0.00 O ATOM 0 H GLU A 16 40.686 53.118 17.779 1.00 0.00 H new ATOM 0 HA GLU A 16 38.008 52.902 19.020 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.508 54.854 17.633 1.00 0.00 H new ATOM 0 HB3 GLU A 16 39.079 53.820 16.338 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.890 54.609 15.760 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.776 52.892 16.093 1.00 0.00 H new ATOM 271 N VAL A 17 37.478 50.671 18.304 1.00 0.00 N ATOM 272 CA VAL A 17 37.197 49.259 18.141 1.00 0.00 C ATOM 273 C VAL A 17 35.700 48.954 18.227 1.00 0.00 C ATOM 274 O VAL A 17 34.922 49.753 18.744 1.00 0.00 O ATOM 275 CB VAL A 17 37.946 48.418 19.171 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.460 48.595 19.092 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.494 48.690 20.603 1.00 0.00 C ATOM 0 H VAL A 17 36.861 51.106 18.990 1.00 0.00 H new ATOM 0 HA VAL A 17 37.545 48.994 17.143 1.00 0.00 H new ATOM 0 HB VAL A 17 37.696 47.389 18.913 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.939 47.973 19.848 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.810 48.299 18.103 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.714 49.640 19.268 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.063 48.063 21.289 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.664 49.739 20.845 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.432 48.463 20.699 1.00 0.00 H new ATOM 287 N GLU A 18 35.284 47.762 17.809 1.00 0.00 N ATOM 288 CA GLU A 18 33.955 47.237 18.051 1.00 0.00 C ATOM 289 C GLU A 18 34.006 45.909 18.810 1.00 0.00 C ATOM 290 O GLU A 18 34.979 45.174 18.660 1.00 0.00 O ATOM 291 CB GLU A 18 33.190 47.084 16.741 1.00 0.00 C ATOM 292 CG GLU A 18 32.872 48.394 16.023 1.00 0.00 C ATOM 293 CD GLU A 18 31.890 49.273 16.799 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.698 48.909 16.893 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.270 50.365 17.275 1.00 0.00 O ATOM 0 H GLU A 18 35.880 47.124 17.281 1.00 0.00 H new ATOM 0 HA GLU A 18 33.424 47.954 18.678 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.771 46.451 16.070 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.255 46.561 16.942 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.797 48.947 15.860 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.456 48.172 15.040 1.00 0.00 H new ATOM 302 N PRO A 19 32.998 45.542 19.596 1.00 0.00 N ATOM 303 CA PRO A 19 32.986 44.299 20.341 1.00 0.00 C ATOM 304 C PRO A 19 33.193 43.017 19.532 1.00 0.00 C ATOM 305 O PRO A 19 33.659 42.018 20.077 1.00 0.00 O ATOM 306 CB PRO A 19 31.644 44.269 21.069 1.00 0.00 C ATOM 307 CG PRO A 19 31.328 45.747 21.278 1.00 0.00 C ATOM 308 CD PRO A 19 31.897 46.387 20.014 1.00 0.00 C ATOM 0 HA PRO A 19 33.850 44.299 21.006 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.875 43.773 20.476 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.711 43.734 22.016 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.257 45.923 21.376 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.799 46.139 22.179 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.138 46.452 19.234 1.00 0.00 H new ATOM 0 HD3 PRO A 19 32.239 47.403 20.212 1.00 0.00 H new ATOM 316 N SER A 20 32.871 43.030 18.242 1.00 0.00 N ATOM 317 CA SER A 20 33.095 41.931 17.325 1.00 0.00 C ATOM 318 C SER A 20 34.498 41.870 16.718 1.00 0.00 C ATOM 319 O SER A 20 34.787 40.910 16.006 1.00 0.00 O ATOM 320 CB SER A 20 32.037 41.927 16.226 1.00 0.00 C ATOM 321 OG SER A 20 30.740 41.854 16.772 1.00 0.00 O ATOM 0 H SER A 20 32.432 43.836 17.797 1.00 0.00 H new ATOM 0 HA SER A 20 33.008 41.031 17.934 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.131 42.830 15.623 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.203 41.080 15.560 1.00 0.00 H new ATOM 0 HG SER A 20 30.080 41.855 16.048 1.00 0.00 H new ATOM 327 N ASP A 21 35.375 42.836 16.972 1.00 0.00 N ATOM 328 CA ASP A 21 36.749 42.825 16.512 1.00 0.00 C ATOM 329 C ASP A 21 37.547 41.702 17.179 1.00 0.00 C ATOM 330 O ASP A 21 37.418 41.467 18.379 1.00 0.00 O ATOM 331 CB ASP A 21 37.449 44.153 16.785 1.00 0.00 C ATOM 332 CG ASP A 21 36.982 45.345 15.948 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.451 46.481 16.180 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.187 45.170 14.999 1.00 0.00 O ATOM 0 H ASP A 21 35.139 43.665 17.517 1.00 0.00 H new ATOM 0 HA ASP A 21 36.712 42.658 15.435 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.316 44.400 17.838 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.518 44.017 16.622 1.00 0.00 H new ATOM 339 N THR A 22 38.414 41.036 16.422 1.00 0.00 N ATOM 340 CA THR A 22 39.381 40.099 16.957 1.00 0.00 C ATOM 341 C THR A 22 40.589 40.816 17.564 1.00 0.00 C ATOM 342 O THR A 22 40.967 41.898 17.120 1.00 0.00 O ATOM 343 CB THR A 22 39.860 39.061 15.946 1.00 0.00 C ATOM 344 OG1 THR A 22 40.490 39.681 14.847 1.00 0.00 O ATOM 345 CG2 THR A 22 38.732 38.180 15.420 1.00 0.00 C ATOM 0 H THR A 22 38.461 41.137 15.408 1.00 0.00 H new ATOM 0 HA THR A 22 38.844 39.563 17.739 1.00 0.00 H new ATOM 0 HB THR A 22 40.567 38.430 16.484 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.790 38.997 14.213 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.134 37.462 14.705 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.270 37.646 16.250 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.984 38.802 14.928 1.00 0.00 H new ATOM 353 N ILE A 23 41.249 40.183 18.530 1.00 0.00 N ATOM 354 CA ILE A 23 42.437 40.715 19.164 1.00 0.00 C ATOM 355 C ILE A 23 43.544 40.951 18.134 1.00 0.00 C ATOM 356 O ILE A 23 44.231 41.968 18.192 1.00 0.00 O ATOM 357 CB ILE A 23 42.866 39.810 20.316 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.092 40.096 21.600 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.349 39.919 20.658 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.598 39.787 21.593 1.00 0.00 C ATOM 0 H ILE A 23 40.964 39.274 18.895 1.00 0.00 H new ATOM 0 HA ILE A 23 42.214 41.691 19.595 1.00 0.00 H new ATOM 0 HB ILE A 23 42.649 38.806 19.950 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.552 39.525 22.407 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.218 41.151 21.844 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.582 39.248 21.485 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.944 39.642 19.788 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.582 40.944 20.946 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.170 40.036 22.564 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.108 40.377 20.819 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.447 38.727 21.391 1.00 0.00 H new ATOM 372 N GLU A 24 43.683 40.084 17.135 1.00 0.00 N ATOM 373 CA GLU A 24 44.626 40.257 16.049 1.00 0.00 C ATOM 374 C GLU A 24 44.352 41.522 15.232 1.00 0.00 C ATOM 375 O GLU A 24 45.265 42.310 14.994 1.00 0.00 O ATOM 376 CB GLU A 24 44.565 39.001 15.183 1.00 0.00 C ATOM 377 CG GLU A 24 45.427 39.050 13.925 1.00 0.00 C ATOM 378 CD GLU A 24 45.282 37.740 13.149 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.142 37.375 12.784 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.300 37.043 12.951 1.00 0.00 O ATOM 0 H GLU A 24 43.131 39.229 17.062 1.00 0.00 H new ATOM 0 HA GLU A 24 45.629 40.390 16.454 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.873 38.146 15.785 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.529 38.828 14.891 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.126 39.890 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.471 39.211 14.194 1.00 0.00 H new ATOM 387 N ASN A 25 43.104 41.775 14.848 1.00 0.00 N ATOM 388 CA ASN A 25 42.748 42.981 14.128 1.00 0.00 C ATOM 389 C ASN A 25 42.902 44.250 14.969 1.00 0.00 C ATOM 390 O ASN A 25 43.206 45.301 14.409 1.00 0.00 O ATOM 391 CB ASN A 25 41.345 42.831 13.546 1.00 0.00 C ATOM 392 CG ASN A 25 41.355 42.028 12.244 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.969 40.862 12.183 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.826 42.628 11.155 1.00 0.00 N ATOM 0 H ASN A 25 42.319 41.150 15.029 1.00 0.00 H new ATOM 0 HA ASN A 25 43.455 43.106 13.308 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.700 42.337 14.273 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.920 43.818 13.362 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.867 42.121 10.271 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.147 43.595 11.204 1.00 0.00 H new ATOM 401 N VAL A 26 42.774 44.167 16.290 1.00 0.00 N ATOM 402 CA VAL A 26 43.087 45.253 17.197 1.00 0.00 C ATOM 403 C VAL A 26 44.592 45.520 17.252 1.00 0.00 C ATOM 404 O VAL A 26 45.000 46.671 17.118 1.00 0.00 O ATOM 405 CB VAL A 26 42.490 45.010 18.580 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.945 46.043 19.607 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.966 45.068 18.524 1.00 0.00 C ATOM 0 H VAL A 26 42.444 43.326 16.763 1.00 0.00 H new ATOM 0 HA VAL A 26 42.622 46.158 16.807 1.00 0.00 H new ATOM 0 HB VAL A 26 42.839 44.023 18.885 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.490 45.821 20.572 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.030 46.009 19.701 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.640 47.038 19.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.558 44.892 19.520 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.652 46.050 18.171 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.598 44.303 17.841 1.00 0.00 H new ATOM 417 N LYS A 27 45.434 44.493 17.332 1.00 0.00 N ATOM 418 CA LYS A 27 46.871 44.643 17.228 1.00 0.00 C ATOM 419 C LYS A 27 47.296 45.273 15.901 1.00 0.00 C ATOM 420 O LYS A 27 48.165 46.142 15.884 1.00 0.00 O ATOM 421 CB LYS A 27 47.563 43.298 17.436 1.00 0.00 C ATOM 422 CG LYS A 27 47.437 42.783 18.867 1.00 0.00 C ATOM 423 CD LYS A 27 47.996 41.368 18.988 1.00 0.00 C ATOM 424 CE LYS A 27 47.886 40.888 20.433 1.00 0.00 C ATOM 425 NZ LYS A 27 48.426 39.527 20.572 1.00 0.00 N ATOM 0 H LYS A 27 45.130 43.529 17.472 1.00 0.00 H new ATOM 0 HA LYS A 27 47.183 45.328 18.017 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.135 42.565 16.752 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.618 43.394 17.181 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.971 43.448 19.545 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.390 42.792 19.170 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.449 40.694 18.329 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.038 41.351 18.668 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.428 41.568 21.090 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.843 40.904 20.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.974 39.055 21.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.233 38.987 19.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.453 39.575 20.729 1.00 0.00 H new ATOM 439 N ALA A 28 46.640 44.912 14.802 1.00 0.00 N ATOM 440 CA ALA A 28 46.860 45.522 13.506 1.00 0.00 C ATOM 441 C ALA A 28 46.424 46.986 13.430 1.00 0.00 C ATOM 442 O ALA A 28 47.094 47.768 12.760 1.00 0.00 O ATOM 443 CB ALA A 28 46.178 44.661 12.447 1.00 0.00 C ATOM 0 H ALA A 28 45.933 44.177 14.792 1.00 0.00 H new ATOM 0 HA ALA A 28 47.934 45.556 13.323 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.332 45.104 11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.604 43.658 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.110 44.605 12.656 1.00 0.00 H new ATOM 449 N LYS A 29 45.384 47.406 14.146 1.00 0.00 N ATOM 450 CA LYS A 29 45.013 48.798 14.293 1.00 0.00 C ATOM 451 C LYS A 29 46.070 49.593 15.063 1.00 0.00 C ATOM 452 O LYS A 29 46.397 50.712 14.676 1.00 0.00 O ATOM 453 CB LYS A 29 43.654 48.937 14.973 1.00 0.00 C ATOM 454 CG LYS A 29 42.438 48.646 14.098 1.00 0.00 C ATOM 455 CD LYS A 29 41.168 48.630 14.945 1.00 0.00 C ATOM 456 CE LYS A 29 39.919 48.566 14.070 1.00 0.00 C ATOM 457 NZ LYS A 29 38.678 48.628 14.857 1.00 0.00 N ATOM 0 H LYS A 29 44.766 46.768 14.649 1.00 0.00 H new ATOM 0 HA LYS A 29 44.946 49.214 13.288 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.629 48.266 15.832 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.565 49.952 15.359 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.353 49.402 13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.562 47.685 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.188 47.773 15.618 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.133 49.523 15.568 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.935 49.391 13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.932 47.643 13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.880 48.853 14.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.511 47.709 15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.765 49.366 15.585 1.00 0.00 H new ATOM 471 N ILE A 30 46.649 49.010 16.110 1.00 0.00 N ATOM 472 CA ILE A 30 47.735 49.595 16.870 1.00 0.00 C ATOM 473 C ILE A 30 48.978 49.777 15.996 1.00 0.00 C ATOM 474 O ILE A 30 49.617 50.823 16.076 1.00 0.00 O ATOM 475 CB ILE A 30 48.007 48.794 18.139 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.818 48.895 19.092 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.274 49.260 18.850 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.825 47.906 20.254 1.00 0.00 C ATOM 0 H ILE A 30 46.364 48.094 16.457 1.00 0.00 H new ATOM 0 HA ILE A 30 47.438 50.592 17.195 1.00 0.00 H new ATOM 0 HB ILE A 30 48.153 47.756 17.840 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.784 49.906 19.498 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.902 48.750 18.519 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.428 48.662 19.748 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.129 49.142 18.184 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.171 50.309 19.126 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.939 48.061 20.869 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.823 46.888 19.865 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.719 48.061 20.859 1.00 0.00 H new ATOM 490 N GLN A 31 49.288 48.837 15.109 1.00 0.00 N ATOM 491 CA GLN A 31 50.341 48.999 14.127 1.00 0.00 C ATOM 492 C GLN A 31 50.090 50.183 13.192 1.00 0.00 C ATOM 493 O GLN A 31 51.017 50.937 12.902 1.00 0.00 O ATOM 494 CB GLN A 31 50.528 47.719 13.317 1.00 0.00 C ATOM 495 CG GLN A 31 51.782 47.784 12.450 1.00 0.00 C ATOM 496 CD GLN A 31 51.986 46.539 11.585 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.056 45.801 11.263 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.216 46.263 11.162 1.00 0.00 N ATOM 0 H GLN A 31 48.810 47.938 15.055 1.00 0.00 H new ATOM 0 HA GLN A 31 51.256 49.209 14.680 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.595 46.866 13.993 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.655 47.557 12.685 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.724 48.660 11.805 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.652 47.918 13.092 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.993 46.869 11.424 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.382 45.445 10.576 1.00 0.00 H new ATOM 507 N ASP A 32 48.861 50.385 12.725 1.00 0.00 N ATOM 508 CA ASP A 32 48.552 51.507 11.862 1.00 0.00 C ATOM 509 C ASP A 32 48.681 52.858 12.571 1.00 0.00 C ATOM 510 O ASP A 32 49.196 53.810 11.990 1.00 0.00 O ATOM 511 CB ASP A 32 47.169 51.322 11.246 1.00 0.00 C ATOM 512 CG ASP A 32 46.980 52.222 10.023 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.035 53.041 10.004 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.741 52.069 9.044 1.00 0.00 O ATOM 0 H ASP A 32 48.066 49.782 12.934 1.00 0.00 H new ATOM 0 HA ASP A 32 49.294 51.523 11.064 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.034 50.280 10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.404 51.549 11.989 1.00 0.00 H new ATOM 519 N LYS A 33 48.280 52.940 13.837 1.00 0.00 N ATOM 520 CA LYS A 33 48.371 54.156 14.618 1.00 0.00 C ATOM 521 C LYS A 33 49.793 54.482 15.081 1.00 0.00 C ATOM 522 O LYS A 33 50.254 55.589 14.810 1.00 0.00 O ATOM 523 CB LYS A 33 47.341 54.129 15.744 1.00 0.00 C ATOM 524 CG LYS A 33 47.172 55.521 16.344 1.00 0.00 C ATOM 525 CD LYS A 33 46.002 55.621 17.318 1.00 0.00 C ATOM 526 CE LYS A 33 45.894 57.071 17.784 1.00 0.00 C ATOM 527 NZ LYS A 33 44.716 57.316 18.631 1.00 0.00 N ATOM 0 H LYS A 33 47.880 52.153 14.348 1.00 0.00 H new ATOM 0 HA LYS A 33 48.122 54.994 13.967 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.385 53.772 15.362 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.657 53.429 16.517 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.090 55.800 16.860 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.028 56.241 15.539 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.077 55.307 16.835 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.158 54.958 18.169 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.794 57.337 18.338 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.851 57.725 16.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.895 58.136 19.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.890 57.508 18.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.530 56.478 19.218 1.00 0.00 H new ATOM 541 N GLU A 34 50.507 53.552 15.708 1.00 0.00 N ATOM 542 CA GLU A 34 51.765 53.781 16.389 1.00 0.00 C ATOM 543 C GLU A 34 52.955 52.981 15.853 1.00 0.00 C ATOM 544 O GLU A 34 54.044 53.041 16.420 1.00 0.00 O ATOM 545 CB GLU A 34 51.584 53.550 17.886 1.00 0.00 C ATOM 546 CG GLU A 34 50.682 54.554 18.599 1.00 0.00 C ATOM 547 CD GLU A 34 51.276 55.964 18.591 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.058 56.315 19.500 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.985 56.742 17.657 1.00 0.00 O ATOM 0 H GLU A 34 50.207 52.578 15.754 1.00 0.00 H new ATOM 0 HA GLU A 34 52.027 54.820 16.188 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.176 52.550 18.035 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.565 53.568 18.360 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.705 54.570 18.117 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.525 54.233 19.629 1.00 0.00 H new ATOM 556 N GLY A 35 52.805 52.222 14.772 1.00 0.00 N ATOM 557 CA GLY A 35 53.902 51.559 14.098 1.00 0.00 C ATOM 558 C GLY A 35 54.411 50.267 14.742 1.00 0.00 C ATOM 559 O GLY A 35 55.350 49.671 14.219 1.00 0.00 O ATOM 0 H GLY A 35 51.899 52.051 14.337 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.591 51.334 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.735 52.259 14.030 1.00 0.00 H new ATOM 563 N ILE A 36 53.797 49.819 15.832 1.00 0.00 N ATOM 564 CA ILE A 36 54.178 48.653 16.604 1.00 0.00 C ATOM 565 C ILE A 36 53.667 47.393 15.904 1.00 0.00 C ATOM 566 O ILE A 36 52.452 47.216 15.848 1.00 0.00 O ATOM 567 CB ILE A 36 53.625 48.754 18.023 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.980 50.074 18.704 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.113 47.574 18.858 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.285 50.310 20.042 1.00 0.00 C ATOM 0 H ILE A 36 52.977 50.288 16.217 1.00 0.00 H new ATOM 0 HA ILE A 36 55.265 48.600 16.673 1.00 0.00 H new ATOM 0 HB ILE A 36 52.538 48.725 17.948 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.058 50.108 18.859 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.729 50.893 18.030 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.714 47.654 19.869 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.772 46.643 18.406 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.202 47.581 18.896 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.598 51.271 20.450 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.205 50.313 19.895 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.555 49.515 20.737 1.00 0.00 H new ATOM 582 N PRO A 37 54.504 46.495 15.391 1.00 0.00 N ATOM 583 CA PRO A 37 54.034 45.330 14.670 1.00 0.00 C ATOM 584 C PRO A 37 53.215 44.366 15.531 1.00 0.00 C ATOM 585 O PRO A 37 53.490 44.251 16.724 1.00 0.00 O ATOM 586 CB PRO A 37 55.271 44.649 14.089 1.00 0.00 C ATOM 587 CG PRO A 37 56.321 45.756 14.079 1.00 0.00 C ATOM 588 CD PRO A 37 55.950 46.560 15.321 1.00 0.00 C ATOM 0 HA PRO A 37 53.344 45.643 13.887 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.587 43.803 14.700 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.083 44.266 13.086 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.334 45.358 14.139 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.269 46.359 13.173 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.408 46.138 16.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.295 47.591 15.242 1.00 0.00 H new ATOM 596 N PRO A 38 52.226 43.663 14.988 1.00 0.00 N ATOM 597 CA PRO A 38 51.296 42.869 15.765 1.00 0.00 C ATOM 598 C PRO A 38 51.945 41.701 16.511 1.00 0.00 C ATOM 599 O PRO A 38 51.501 41.362 17.605 1.00 0.00 O ATOM 600 CB PRO A 38 50.235 42.387 14.780 1.00 0.00 C ATOM 601 CG PRO A 38 50.947 42.419 13.430 1.00 0.00 C ATOM 602 CD PRO A 38 51.836 43.648 13.592 1.00 0.00 C ATOM 0 HA PRO A 38 50.871 43.479 16.562 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.888 41.383 15.025 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.360 43.037 14.786 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.526 41.513 13.249 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.249 42.523 12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.709 43.590 12.941 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.299 44.558 13.325 1.00 0.00 H new ATOM 610 N ASP A 39 53.035 41.128 16.008 1.00 0.00 N ATOM 611 CA ASP A 39 53.774 40.092 16.702 1.00 0.00 C ATOM 612 C ASP A 39 54.569 40.614 17.900 1.00 0.00 C ATOM 613 O ASP A 39 54.962 39.834 18.765 1.00 0.00 O ATOM 614 CB ASP A 39 54.661 39.328 15.724 1.00 0.00 C ATOM 615 CG ASP A 39 55.944 40.083 15.368 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.042 39.568 15.666 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.853 41.194 14.800 1.00 0.00 O ATOM 0 H ASP A 39 53.429 41.376 15.100 1.00 0.00 H new ATOM 0 HA ASP A 39 53.040 39.403 17.120 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.922 38.362 16.157 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.099 39.127 14.812 1.00 0.00 H new ATOM 622 N GLN A 40 54.773 41.923 18.013 1.00 0.00 N ATOM 623 CA GLN A 40 55.399 42.542 19.164 1.00 0.00 C ATOM 624 C GLN A 40 54.447 42.660 20.355 1.00 0.00 C ATOM 625 O GLN A 40 54.908 42.908 21.467 1.00 0.00 O ATOM 626 CB GLN A 40 55.964 43.901 18.761 1.00 0.00 C ATOM 627 CG GLN A 40 57.111 44.362 19.654 1.00 0.00 C ATOM 628 CD GLN A 40 57.577 45.781 19.319 1.00 0.00 C ATOM 629 OE1 GLN A 40 57.477 46.707 20.121 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.160 46.010 18.146 1.00 0.00 N ATOM 0 H GLN A 40 54.501 42.590 17.291 1.00 0.00 H new ATOM 0 HA GLN A 40 56.213 41.899 19.497 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.312 43.851 17.729 1.00 0.00 H new ATOM 0 HB3 GLN A 40 55.166 44.643 18.793 1.00 0.00 H new ATOM 0 HG2 GLN A 40 56.795 44.323 20.696 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.949 43.673 19.549 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.253 45.255 17.467 1.00 0.00 H new ATOM 0 HE22 GLN A 40 58.514 46.941 17.926 1.00 0.00 H new ATOM 639 N GLN A 41 53.140 42.493 20.171 1.00 0.00 N ATOM 640 CA GLN A 41 52.138 42.919 21.126 1.00 0.00 C ATOM 641 C GLN A 41 51.527 41.762 21.920 1.00 0.00 C ATOM 642 O GLN A 41 50.829 40.927 21.347 1.00 0.00 O ATOM 643 CB GLN A 41 51.039 43.684 20.393 1.00 0.00 C ATOM 644 CG GLN A 41 51.504 44.921 19.630 1.00 0.00 C ATOM 645 CD GLN A 41 50.340 45.578 18.886 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.231 45.694 19.402 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.516 46.018 17.642 1.00 0.00 N ATOM 0 H GLN A 41 52.748 42.051 19.340 1.00 0.00 H new ATOM 0 HA GLN A 41 52.638 43.561 21.852 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.553 43.006 19.692 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.284 43.987 21.118 1.00 0.00 H new ATOM 0 HG2 GLN A 41 51.946 45.636 20.324 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.283 44.643 18.920 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.429 45.931 17.195 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.738 46.442 17.136 1.00 0.00 H new ATOM 656 N ARG A 42 51.687 41.751 23.240 1.00 0.00 N ATOM 657 CA ARG A 42 50.814 41.052 24.160 1.00 0.00 C ATOM 658 C ARG A 42 49.742 42.022 24.659 1.00 0.00 C ATOM 659 O ARG A 42 50.103 43.098 25.133 1.00 0.00 O ATOM 660 CB ARG A 42 51.582 40.516 25.366 1.00 0.00 C ATOM 661 CG ARG A 42 52.805 39.652 25.076 1.00 0.00 C ATOM 662 CD ARG A 42 53.491 39.307 26.395 1.00 0.00 C ATOM 663 NE ARG A 42 54.673 38.464 26.222 1.00 0.00 N ATOM 664 CZ ARG A 42 54.678 37.149 25.970 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.565 36.408 25.875 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.833 36.495 25.780 1.00 0.00 N ATOM 0 H ARG A 42 52.450 42.243 23.706 1.00 0.00 H new ATOM 0 HA ARG A 42 50.369 40.209 23.631 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.902 41.365 25.969 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.892 39.933 25.976 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.508 38.741 24.556 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.495 40.183 24.420 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.780 40.229 26.900 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.780 38.797 27.045 1.00 0.00 H new ATOM 0 HE ARG A 42 55.581 38.922 26.301 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.651 36.843 25.997 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.632 35.409 25.681 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.718 36.999 25.827 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.826 35.493 25.589 1.00 0.00 H new ATOM 680 N LEU A 43 48.462 41.668 24.598 1.00 0.00 N ATOM 681 CA LEU A 43 47.380 42.465 25.139 1.00 0.00 C ATOM 682 C LEU A 43 46.728 41.745 26.321 1.00 0.00 C ATOM 683 O LEU A 43 46.315 40.595 26.195 1.00 0.00 O ATOM 684 CB LEU A 43 46.379 42.832 24.047 1.00 0.00 C ATOM 685 CG LEU A 43 46.927 43.718 22.932 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.840 43.998 21.899 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.446 45.070 23.415 1.00 0.00 C ATOM 0 H LEU A 43 48.148 40.801 24.162 1.00 0.00 H new ATOM 0 HA LEU A 43 47.783 43.404 25.520 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.997 41.913 23.603 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.532 43.339 24.509 1.00 0.00 H new ATOM 0 HG LEU A 43 47.763 43.160 22.510 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.243 44.631 21.109 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.495 43.057 21.470 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.004 44.506 22.379 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.819 45.642 22.565 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.637 45.620 23.895 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.254 44.915 24.130 1.00 0.00 H new ATOM 699 N ILE A 44 46.682 42.405 27.475 1.00 0.00 N ATOM 700 CA ILE A 44 46.397 41.795 28.758 1.00 0.00 C ATOM 701 C ILE A 44 45.264 42.520 29.484 1.00 0.00 C ATOM 702 O ILE A 44 45.323 43.732 29.677 1.00 0.00 O ATOM 703 CB ILE A 44 47.650 41.707 29.626 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.902 41.362 28.824 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.413 40.707 30.755 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.150 41.017 29.631 1.00 0.00 C ATOM 0 H ILE A 44 46.848 43.409 27.538 1.00 0.00 H new ATOM 0 HA ILE A 44 46.061 40.776 28.566 1.00 0.00 H new ATOM 0 HB ILE A 44 47.836 42.693 30.051 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.670 40.517 28.175 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.137 42.207 28.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.306 40.642 31.377 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.571 41.038 31.363 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.193 39.727 30.332 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.972 40.791 28.951 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.422 41.864 30.260 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.949 40.149 30.259 1.00 0.00 H new ATOM 718 N PHE A 45 44.255 41.777 29.931 1.00 0.00 N ATOM 719 CA PHE A 45 43.122 42.267 30.690 1.00 0.00 C ATOM 720 C PHE A 45 42.589 41.191 31.639 1.00 0.00 C ATOM 721 O PHE A 45 42.607 40.012 31.295 1.00 0.00 O ATOM 722 CB PHE A 45 42.032 42.706 29.717 1.00 0.00 C ATOM 723 CG PHE A 45 40.929 43.538 30.327 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.166 44.880 30.645 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.664 42.983 30.552 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.142 45.671 31.179 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.641 43.771 31.094 1.00 0.00 C ATOM 728 CZ PHE A 45 38.877 45.114 31.405 1.00 0.00 C ATOM 0 H PHE A 45 44.209 40.772 29.763 1.00 0.00 H new ATOM 0 HA PHE A 45 43.438 43.114 31.299 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.494 43.277 28.911 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.590 41.818 29.266 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.144 45.307 30.478 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.477 41.948 30.308 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.327 46.708 31.416 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.667 43.340 31.272 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.085 45.721 31.819 1.00 0.00 H new ATOM 738 N ALA A 46 42.096 41.573 32.814 1.00 0.00 N ATOM 739 CA ALA A 46 41.448 40.703 33.774 1.00 0.00 C ATOM 740 C ALA A 46 42.169 39.379 34.035 1.00 0.00 C ATOM 741 O ALA A 46 41.553 38.316 34.011 1.00 0.00 O ATOM 742 CB ALA A 46 39.978 40.568 33.387 1.00 0.00 C ATOM 0 H ALA A 46 42.143 42.541 33.131 1.00 0.00 H new ATOM 0 HA ALA A 46 41.507 41.169 34.758 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.473 39.916 34.099 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.507 41.551 33.398 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.903 40.141 32.387 1.00 0.00 H new ATOM 748 N GLY A 47 43.481 39.418 34.244 1.00 0.00 N ATOM 749 CA GLY A 47 44.321 38.272 34.530 1.00 0.00 C ATOM 750 C GLY A 47 44.626 37.352 33.346 1.00 0.00 C ATOM 751 O GLY A 47 45.157 36.262 33.549 1.00 0.00 O ATOM 0 H GLY A 47 44.007 40.292 34.216 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.266 38.632 34.938 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.842 37.681 35.310 1.00 0.00 H new ATOM 755 N LYS A 48 44.288 37.760 32.127 1.00 0.00 N ATOM 756 CA LYS A 48 44.372 36.972 30.914 1.00 0.00 C ATOM 757 C LYS A 48 45.166 37.684 29.818 1.00 0.00 C ATOM 758 O LYS A 48 44.883 38.835 29.493 1.00 0.00 O ATOM 759 CB LYS A 48 42.963 36.643 30.428 1.00 0.00 C ATOM 760 CG LYS A 48 42.232 35.699 31.377 1.00 0.00 C ATOM 761 CD LYS A 48 40.808 35.382 30.929 1.00 0.00 C ATOM 762 CE LYS A 48 39.849 36.568 30.977 1.00 0.00 C ATOM 763 NZ LYS A 48 39.634 37.082 32.338 1.00 0.00 N ATOM 0 H LYS A 48 43.930 38.700 31.956 1.00 0.00 H new ATOM 0 HA LYS A 48 44.908 36.051 31.144 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.392 37.565 30.324 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.018 36.189 29.438 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.795 34.770 31.460 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.203 36.144 32.371 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.839 34.997 29.910 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.412 34.585 31.559 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.240 37.369 30.350 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.891 36.270 30.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.899 37.817 32.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.330 36.305 32.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.521 37.488 32.700 1.00 0.00 H new ATOM 777 N GLN A 49 46.102 36.977 29.192 1.00 0.00 N ATOM 778 CA GLN A 49 46.631 37.327 27.888 1.00 0.00 C ATOM 779 C GLN A 49 45.600 36.933 26.829 1.00 0.00 C ATOM 780 O GLN A 49 45.300 35.753 26.657 1.00 0.00 O ATOM 781 CB GLN A 49 47.972 36.643 27.637 1.00 0.00 C ATOM 782 CG GLN A 49 49.125 37.325 28.367 1.00 0.00 C ATOM 783 CD GLN A 49 50.487 36.790 27.924 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.968 37.084 26.831 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.167 35.998 28.749 1.00 0.00 N ATOM 0 H GLN A 49 46.517 36.133 29.587 1.00 0.00 H new ATOM 0 HA GLN A 49 46.813 38.401 27.840 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.910 35.602 27.956 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.178 36.637 26.567 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.082 38.399 28.186 1.00 0.00 H new ATOM 0 HG3 GLN A 49 49.011 37.178 29.441 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.774 35.750 29.657 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.081 35.639 28.473 1.00 0.00 H new ATOM 794 N LEU A 50 45.019 37.918 26.150 1.00 0.00 N ATOM 795 CA LEU A 50 43.854 37.731 25.310 1.00 0.00 C ATOM 796 C LEU A 50 44.214 37.029 23.999 1.00 0.00 C ATOM 797 O LEU A 50 45.288 37.261 23.449 1.00 0.00 O ATOM 798 CB LEU A 50 43.158 39.070 25.086 1.00 0.00 C ATOM 799 CG LEU A 50 42.841 39.894 26.330 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.049 41.134 25.922 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.046 39.124 27.381 1.00 0.00 C ATOM 0 H LEU A 50 45.354 38.881 26.172 1.00 0.00 H new ATOM 0 HA LEU A 50 43.152 37.071 25.820 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.784 39.673 24.429 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.225 38.884 24.554 1.00 0.00 H new ATOM 0 HG LEU A 50 43.796 40.161 26.782 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.820 41.727 26.807 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.641 41.732 25.228 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.121 40.830 25.438 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.856 39.770 28.238 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.097 38.799 26.954 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.617 38.253 27.703 1.00 0.00 H new ATOM 813 N GLU A 51 43.350 36.136 23.526 1.00 0.00 N ATOM 814 CA GLU A 51 43.635 35.249 22.416 1.00 0.00 C ATOM 815 C GLU A 51 43.413 35.888 21.044 1.00 0.00 C ATOM 816 O GLU A 51 42.343 36.421 20.758 1.00 0.00 O ATOM 817 CB GLU A 51 42.812 33.966 22.508 1.00 0.00 C ATOM 818 CG GLU A 51 43.267 33.028 23.622 1.00 0.00 C ATOM 819 CD GLU A 51 42.375 31.790 23.732 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.880 31.283 22.702 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.160 31.300 24.862 1.00 0.00 O ATOM 0 H GLU A 51 42.415 36.011 23.915 1.00 0.00 H new ATOM 0 HA GLU A 51 44.697 35.020 22.501 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.766 34.226 22.668 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.868 33.439 21.555 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.295 32.718 23.437 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.262 33.564 24.571 1.00 0.00 H new ATOM 828 N ASP A 52 44.394 35.747 20.156 1.00 0.00 N ATOM 829 CA ASP A 52 44.400 36.341 18.835 1.00 0.00 C ATOM 830 C ASP A 52 43.308 35.825 17.895 1.00 0.00 C ATOM 831 O ASP A 52 42.959 36.505 16.933 1.00 0.00 O ATOM 832 CB ASP A 52 45.769 36.126 18.197 1.00 0.00 C ATOM 833 CG ASP A 52 46.877 36.872 18.943 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.556 36.253 19.790 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.099 38.068 18.654 1.00 0.00 O ATOM 0 H ASP A 52 45.231 35.197 20.349 1.00 0.00 H new ATOM 0 HA ASP A 52 44.186 37.400 18.979 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.997 35.060 18.181 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.742 36.461 17.160 1.00 0.00 H new ATOM 840 N GLY A 53 42.758 34.644 18.158 1.00 0.00 N ATOM 841 CA GLY A 53 41.602 34.088 17.482 1.00 0.00 C ATOM 842 C GLY A 53 40.249 34.441 18.102 1.00 0.00 C ATOM 843 O GLY A 53 39.227 34.068 17.531 1.00 0.00 O ATOM 0 H GLY A 53 43.126 34.025 18.881 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.609 34.429 16.447 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.701 33.003 17.461 1.00 0.00 H new ATOM 847 N ARG A 54 40.206 35.135 19.237 1.00 0.00 N ATOM 848 CA ARG A 54 38.994 35.535 19.924 1.00 0.00 C ATOM 849 C ARG A 54 38.737 37.036 19.772 1.00 0.00 C ATOM 850 O ARG A 54 39.514 37.758 19.150 1.00 0.00 O ATOM 851 CB ARG A 54 39.042 35.082 21.380 1.00 0.00 C ATOM 852 CG ARG A 54 39.183 33.577 21.589 1.00 0.00 C ATOM 853 CD ARG A 54 38.141 32.691 20.913 1.00 0.00 C ATOM 854 NE ARG A 54 36.791 32.880 21.441 1.00 0.00 N ATOM 855 CZ ARG A 54 36.004 31.966 22.026 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.388 30.706 22.270 1.00 0.00 N ATOM 857 NH2 ARG A 54 34.757 32.293 22.392 1.00 0.00 N ATOM 0 H ARG A 54 41.052 35.443 19.717 1.00 0.00 H new ATOM 0 HA ARG A 54 38.142 35.038 19.460 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.878 35.581 21.871 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.133 35.418 21.878 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.168 33.275 21.234 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.155 33.378 22.660 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.137 32.898 19.843 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.428 31.647 21.035 1.00 0.00 H new ATOM 0 HE ARG A 54 36.402 33.819 21.354 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.324 30.398 22.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.744 30.054 22.719 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.407 33.237 22.225 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.157 31.598 22.837 1.00 0.00 H new ATOM 871 N THR A 55 37.611 37.494 20.310 1.00 0.00 N ATOM 872 CA THR A 55 37.061 38.825 20.154 1.00 0.00 C ATOM 873 C THR A 55 36.918 39.583 21.475 1.00 0.00 C ATOM 874 O THR A 55 36.893 38.980 22.546 1.00 0.00 O ATOM 875 CB THR A 55 35.703 38.791 19.458 1.00 0.00 C ATOM 876 OG1 THR A 55 34.794 38.023 20.212 1.00 0.00 O ATOM 877 CG2 THR A 55 35.753 38.204 18.050 1.00 0.00 C ATOM 0 H THR A 55 37.026 36.904 20.902 1.00 0.00 H new ATOM 0 HA THR A 55 37.784 39.359 19.537 1.00 0.00 H new ATOM 0 HB THR A 55 35.385 39.831 19.379 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.091 37.089 20.230 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.753 38.212 17.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.421 38.802 17.430 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.121 37.179 18.096 1.00 0.00 H new ATOM 885 N LEU A 56 36.762 40.901 21.417 1.00 0.00 N ATOM 886 CA LEU A 56 36.579 41.713 22.602 1.00 0.00 C ATOM 887 C LEU A 56 35.328 41.338 23.399 1.00 0.00 C ATOM 888 O LEU A 56 35.341 41.371 24.628 1.00 0.00 O ATOM 889 CB LEU A 56 36.554 43.187 22.204 1.00 0.00 C ATOM 890 CG LEU A 56 37.767 43.693 21.429 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.637 45.196 21.201 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.089 43.440 22.149 1.00 0.00 C ATOM 0 H LEU A 56 36.760 41.431 20.545 1.00 0.00 H new ATOM 0 HA LEU A 56 37.422 41.523 23.267 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.663 43.365 21.602 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.451 43.785 23.109 1.00 0.00 H new ATOM 0 HG LEU A 56 37.783 43.141 20.489 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.504 45.556 20.647 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.731 45.400 20.630 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.583 45.707 22.163 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.911 43.823 21.545 1.00 0.00 H new ATOM 0 HD22 LEU A 56 39.081 43.947 23.114 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.220 42.369 22.303 1.00 0.00 H new ATOM 904 N SER A 57 34.264 40.924 22.717 1.00 0.00 N ATOM 905 CA SER A 57 33.043 40.420 23.312 1.00 0.00 C ATOM 906 C SER A 57 33.172 39.036 23.953 1.00 0.00 C ATOM 907 O SER A 57 32.466 38.775 24.925 1.00 0.00 O ATOM 908 CB SER A 57 31.892 40.452 22.311 1.00 0.00 C ATOM 909 OG SER A 57 32.226 39.834 21.089 1.00 0.00 O ATOM 0 H SER A 57 34.233 40.933 21.697 1.00 0.00 H new ATOM 0 HA SER A 57 32.824 41.100 24.135 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.025 39.953 22.743 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.604 41.487 22.125 1.00 0.00 H new ATOM 0 HG SER A 57 32.715 40.468 20.525 1.00 0.00 H new ATOM 915 N ASP A 58 34.122 38.197 23.551 1.00 0.00 N ATOM 916 CA ASP A 58 34.456 36.988 24.276 1.00 0.00 C ATOM 917 C ASP A 58 35.001 37.290 25.674 1.00 0.00 C ATOM 918 O ASP A 58 34.833 36.486 26.588 1.00 0.00 O ATOM 919 CB ASP A 58 35.481 36.136 23.533 1.00 0.00 C ATOM 920 CG ASP A 58 34.962 35.562 22.213 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.882 34.934 22.204 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.648 35.668 21.175 1.00 0.00 O ATOM 0 H ASP A 58 34.680 38.342 22.710 1.00 0.00 H new ATOM 0 HA ASP A 58 33.522 36.433 24.363 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.366 36.740 23.333 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.794 35.315 24.178 1.00 0.00 H new ATOM 927 N TYR A 59 35.589 38.468 25.864 1.00 0.00 N ATOM 928 CA TYR A 59 36.086 38.964 27.132 1.00 0.00 C ATOM 929 C TYR A 59 35.166 39.987 27.800 1.00 0.00 C ATOM 930 O TYR A 59 35.540 40.550 28.827 1.00 0.00 O ATOM 931 CB TYR A 59 37.522 39.444 26.936 1.00 0.00 C ATOM 932 CG TYR A 59 38.440 38.368 26.409 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.750 37.265 27.214 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.944 38.446 25.105 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.544 36.226 26.714 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.754 37.423 24.599 1.00 0.00 C ATOM 937 CZ TYR A 59 40.051 36.304 25.402 1.00 0.00 C ATOM 938 OH TYR A 59 40.820 35.292 24.903 1.00 0.00 O ATOM 0 H TYR A 59 35.736 39.128 25.100 1.00 0.00 H new ATOM 0 HA TYR A 59 36.091 38.147 27.854 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.526 40.287 26.245 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.909 39.810 27.887 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.375 37.216 28.226 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.707 39.299 24.487 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.767 35.368 27.331 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.150 37.491 23.597 1.00 0.00 H new ATOM 0 HH TYR A 59 40.319 34.811 24.212 1.00 0.00 H new ATOM 948 N ASN A 60 33.963 40.203 27.276 1.00 0.00 N ATOM 949 CA ASN A 60 32.951 41.081 27.830 1.00 0.00 C ATOM 950 C ASN A 60 33.425 42.518 28.061 1.00 0.00 C ATOM 951 O ASN A 60 32.997 43.180 29.003 1.00 0.00 O ATOM 952 CB ASN A 60 32.346 40.400 29.055 1.00 0.00 C ATOM 953 CG ASN A 60 31.032 41.016 29.535 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.221 41.538 28.773 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.755 40.940 30.833 1.00 0.00 N ATOM 0 H ASN A 60 33.659 39.748 26.415 1.00 0.00 H new ATOM 0 HA ASN A 60 32.162 41.227 27.093 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.177 39.348 28.825 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.069 40.436 29.870 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.875 41.313 31.189 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.422 40.508 31.472 1.00 0.00 H new ATOM 962 N ILE A 61 34.350 42.999 27.236 1.00 0.00 N ATOM 963 CA ILE A 61 34.992 44.290 27.382 1.00 0.00 C ATOM 964 C ILE A 61 34.032 45.400 26.947 1.00 0.00 C ATOM 965 O ILE A 61 33.479 45.353 25.850 1.00 0.00 O ATOM 966 CB ILE A 61 36.309 44.335 26.612 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.297 43.316 27.173 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.933 45.727 26.646 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.554 43.113 26.332 1.00 0.00 C ATOM 0 H ILE A 61 34.680 42.480 26.423 1.00 0.00 H new ATOM 0 HA ILE A 61 35.237 44.451 28.432 1.00 0.00 H new ATOM 0 HB ILE A 61 36.085 44.086 25.575 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.593 43.631 28.174 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.788 42.358 27.278 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.869 45.720 26.087 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.247 46.444 26.196 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.129 46.013 27.679 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.195 42.372 26.809 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.274 42.764 25.338 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.092 44.057 26.247 1.00 0.00 H new ATOM 981 N GLN A 62 33.857 46.413 27.791 1.00 0.00 N ATOM 982 CA GLN A 62 33.033 47.575 27.528 1.00 0.00 C ATOM 983 C GLN A 62 33.861 48.833 27.255 1.00 0.00 C ATOM 984 O GLN A 62 35.043 48.901 27.582 1.00 0.00 O ATOM 985 CB GLN A 62 32.063 47.765 28.690 1.00 0.00 C ATOM 986 CG GLN A 62 31.054 46.622 28.770 1.00 0.00 C ATOM 987 CD GLN A 62 30.040 46.740 29.908 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.042 47.659 30.726 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.110 45.794 29.999 1.00 0.00 N ATOM 0 H GLN A 62 34.304 46.442 28.708 1.00 0.00 H new ATOM 0 HA GLN A 62 32.466 47.402 26.613 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.621 47.825 29.625 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.534 48.711 28.573 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.514 46.566 27.825 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.597 45.684 28.882 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.096 45.026 29.328 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.410 45.836 30.740 1.00 0.00 H new ATOM 998 N LYS A 63 33.235 49.835 26.644 1.00 0.00 N ATOM 999 CA LYS A 63 33.809 51.131 26.342 1.00 0.00 C ATOM 1000 C LYS A 63 34.594 51.777 27.484 1.00 0.00 C ATOM 1001 O LYS A 63 34.152 51.805 28.630 1.00 0.00 O ATOM 1002 CB LYS A 63 32.705 52.041 25.811 1.00 0.00 C ATOM 1003 CG LYS A 63 31.535 52.306 26.754 1.00 0.00 C ATOM 1004 CD LYS A 63 30.309 52.778 25.977 1.00 0.00 C ATOM 1005 CE LYS A 63 29.113 52.945 26.910 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.875 53.221 26.165 1.00 0.00 N ATOM 0 H LYS A 63 32.267 49.755 26.333 1.00 0.00 H new ATOM 0 HA LYS A 63 34.571 50.974 25.578 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.151 52.998 25.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.312 51.603 24.893 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.294 51.397 27.306 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.818 53.060 27.489 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.527 53.725 25.483 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.069 52.059 25.194 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.986 52.040 27.504 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.307 53.760 27.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.085 53.328 26.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.987 54.098 25.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.676 52.432 25.517 1.00 0.00 H new ATOM 1020 N GLU A 64 35.758 52.325 27.146 1.00 0.00 N ATOM 1021 CA GLU A 64 36.688 53.035 28.001 1.00 0.00 C ATOM 1022 C GLU A 64 37.358 52.208 29.100 1.00 0.00 C ATOM 1023 O GLU A 64 37.883 52.753 30.068 1.00 0.00 O ATOM 1024 CB GLU A 64 36.108 54.369 28.462 1.00 0.00 C ATOM 1025 CG GLU A 64 35.701 55.247 27.284 1.00 0.00 C ATOM 1026 CD GLU A 64 35.082 56.583 27.703 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.360 57.100 28.806 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.313 57.136 26.886 1.00 0.00 O ATOM 0 H GLU A 64 36.098 52.276 26.185 1.00 0.00 H new ATOM 0 HA GLU A 64 37.546 53.265 27.369 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.241 54.188 29.097 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.844 54.895 29.070 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.577 55.440 26.665 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.987 54.703 26.665 1.00 0.00 H new ATOM 1035 N SER A 65 37.404 50.891 28.915 1.00 0.00 N ATOM 1036 CA SER A 65 38.253 49.975 29.649 1.00 0.00 C ATOM 1037 C SER A 65 39.742 50.290 29.492 1.00 0.00 C ATOM 1038 O SER A 65 40.149 50.832 28.467 1.00 0.00 O ATOM 1039 CB SER A 65 38.037 48.539 29.181 1.00 0.00 C ATOM 1040 OG SER A 65 36.720 48.112 29.449 1.00 0.00 O ATOM 0 H SER A 65 36.825 50.420 28.220 1.00 0.00 H new ATOM 0 HA SER A 65 37.972 50.093 30.696 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.236 48.468 28.112 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.746 47.879 29.681 1.00 0.00 H new ATOM 0 HG SER A 65 36.166 48.238 28.650 1.00 0.00 H new ATOM 1046 N THR A 66 40.559 49.893 30.463 1.00 0.00 N ATOM 1047 CA THR A 66 42.001 50.037 30.450 1.00 0.00 C ATOM 1048 C THR A 66 42.674 48.670 30.314 1.00 0.00 C ATOM 1049 O THR A 66 42.748 47.890 31.261 1.00 0.00 O ATOM 1050 CB THR A 66 42.512 50.768 31.689 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.989 52.075 31.757 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.026 50.955 31.698 1.00 0.00 C ATOM 0 H THR A 66 40.215 49.445 31.312 1.00 0.00 H new ATOM 0 HA THR A 66 42.262 50.645 29.584 1.00 0.00 H new ATOM 0 HB THR A 66 42.197 50.140 32.522 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.329 52.522 32.560 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.322 51.481 32.606 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.513 49.980 31.668 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.326 51.537 30.827 1.00 0.00 H new ATOM 1060 N LEU A 67 43.198 48.392 29.124 1.00 0.00 N ATOM 1061 CA LEU A 67 43.991 47.223 28.802 1.00 0.00 C ATOM 1062 C LEU A 67 45.478 47.556 28.937 1.00 0.00 C ATOM 1063 O LEU A 67 45.873 48.702 28.734 1.00 0.00 O ATOM 1064 CB LEU A 67 43.666 46.739 27.391 1.00 0.00 C ATOM 1065 CG LEU A 67 42.296 46.097 27.190 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.116 47.059 27.279 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.263 45.447 25.809 1.00 0.00 C ATOM 0 H LEU A 67 43.071 49.010 28.323 1.00 0.00 H new ATOM 0 HA LEU A 67 43.751 46.420 29.499 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.748 47.588 26.712 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.428 46.018 27.094 1.00 0.00 H new ATOM 0 HG LEU A 67 42.179 45.383 28.005 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.187 46.511 27.123 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.101 47.526 28.264 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.216 47.829 26.514 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.290 44.983 25.649 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.433 46.206 25.045 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.042 44.687 25.746 1.00 0.00 H new ATOM 1079 N HIS A 68 46.315 46.560 29.214 1.00 0.00 N ATOM 1080 CA HIS A 68 47.754 46.722 29.196 1.00 0.00 C ATOM 1081 C HIS A 68 48.364 46.101 27.937 1.00 0.00 C ATOM 1082 O HIS A 68 47.995 44.999 27.538 1.00 0.00 O ATOM 1083 CB HIS A 68 48.392 46.172 30.468 1.00 0.00 C ATOM 1084 CG HIS A 68 48.224 47.061 31.670 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.128 47.072 32.532 1.00 0.00 N ATOM 1086 CD2 HIS A 68 49.180 47.903 32.175 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.434 47.913 33.522 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.668 48.415 33.350 1.00 0.00 N ATOM 0 H HIS A 68 46.007 45.618 29.457 1.00 0.00 H new ATOM 0 HA HIS A 68 47.969 47.790 29.167 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.959 45.196 30.687 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.456 46.016 30.290 1.00 0.00 H new ATOM 0 HD2 HIS A 68 50.144 48.123 31.740 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.780 48.156 34.347 1.00 0.00 H new ATOM 0 HE2 HIS A 68 49.144 49.062 33.979 1.00 0.00 H new ATOM 1096 N LEU A 69 49.328 46.802 27.347 1.00 0.00 N ATOM 1097 CA LEU A 69 50.190 46.325 26.284 1.00 0.00 C ATOM 1098 C LEU A 69 51.563 45.990 26.867 1.00 0.00 C ATOM 1099 O LEU A 69 52.205 46.853 27.461 1.00 0.00 O ATOM 1100 CB LEU A 69 50.261 47.388 25.191 1.00 0.00 C ATOM 1101 CG LEU A 69 51.362 47.229 24.147 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.252 45.938 23.339 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.305 48.393 23.161 1.00 0.00 C ATOM 0 H LEU A 69 49.535 47.764 27.614 1.00 0.00 H new ATOM 0 HA LEU A 69 49.795 45.414 25.834 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.302 47.407 24.673 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.384 48.360 25.670 1.00 0.00 H new ATOM 0 HG LEU A 69 52.300 47.205 24.701 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.066 45.891 22.616 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.313 45.082 24.011 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.298 45.918 22.813 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.092 48.278 22.416 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.334 48.402 22.665 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.447 49.331 23.697 1.00 0.00 H new ATOM 1115 N VAL A 70 52.038 44.767 26.646 1.00 0.00 N ATOM 1116 CA VAL A 70 53.369 44.321 27.002 1.00 0.00 C ATOM 1117 C VAL A 70 54.111 43.887 25.736 1.00 0.00 C ATOM 1118 O VAL A 70 53.580 43.139 24.918 1.00 0.00 O ATOM 1119 CB VAL A 70 53.329 43.221 28.059 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.735 42.809 28.486 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.569 43.672 29.304 1.00 0.00 C ATOM 0 H VAL A 70 51.482 44.039 26.198 1.00 0.00 H new ATOM 0 HA VAL A 70 53.916 45.148 27.454 1.00 0.00 H new ATOM 0 HB VAL A 70 52.818 42.374 27.602 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.671 42.024 29.240 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.284 42.437 27.621 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.256 43.671 28.903 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.559 42.865 30.037 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.059 44.546 29.733 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.545 43.928 29.032 1.00 0.00 H new ATOM 1131 N LEU A 71 55.333 44.380 25.558 1.00 0.00 N ATOM 1132 CA LEU A 71 56.119 44.128 24.367 1.00 0.00 C ATOM 1133 C LEU A 71 56.826 42.773 24.427 1.00 0.00 C ATOM 1134 O LEU A 71 57.370 42.403 25.465 1.00 0.00 O ATOM 1135 CB LEU A 71 57.100 45.272 24.118 1.00 0.00 C ATOM 1136 CG LEU A 71 56.481 46.665 24.055 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.571 47.681 23.728 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.366 46.784 23.020 1.00 0.00 C ATOM 0 H LEU A 71 55.804 44.969 26.245 1.00 0.00 H new ATOM 0 HA LEU A 71 55.436 44.083 23.519 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.851 45.262 24.908 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.622 45.082 23.180 1.00 0.00 H new ATOM 0 HG LEU A 71 56.035 46.859 25.030 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.136 48.679 23.681 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.337 47.655 24.503 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.020 47.436 22.766 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.970 47.799 23.027 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.762 46.556 22.030 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.568 46.081 23.262 1.00 0.00 H new ATOM 1150 N ARG A 72 56.875 42.056 23.308 1.00 0.00 N ATOM 1151 CA ARG A 72 57.749 40.917 23.118 1.00 0.00 C ATOM 1152 C ARG A 72 59.200 41.338 22.873 1.00 0.00 C ATOM 1153 O ARG A 72 59.480 42.456 22.445 1.00 0.00 O ATOM 1154 CB ARG A 72 57.252 39.999 22.005 1.00 0.00 C ATOM 1155 CG ARG A 72 55.981 39.232 22.359 1.00 0.00 C ATOM 1156 CD ARG A 72 55.839 38.011 21.454 1.00 0.00 C ATOM 1157 NE ARG A 72 54.611 37.265 21.728 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.374 37.538 21.292 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.091 38.548 20.458 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.365 36.759 21.704 1.00 0.00 N ATOM 0 H ARG A 72 56.294 42.260 22.495 1.00 0.00 H new ATOM 0 HA ARG A 72 57.726 40.352 24.050 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.068 40.595 21.111 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.038 39.286 21.757 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.014 38.919 23.403 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.112 39.881 22.248 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.844 38.330 20.412 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.699 37.356 21.591 1.00 0.00 H new ATOM 0 HE ARG A 72 54.708 36.440 22.320 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.838 39.156 20.122 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.129 38.708 20.159 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.548 35.979 22.335 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.414 36.946 21.386 1.00 0.00 H new ATOM 1174 N LEU A 73 60.118 40.413 23.138 1.00 0.00 N ATOM 1175 CA LEU A 73 61.549 40.584 22.995 1.00 0.00 C ATOM 1176 C LEU A 73 61.988 40.219 21.576 1.00 0.00 C ATOM 1177 O LEU A 73 61.484 39.260 20.995 1.00 0.00 O ATOM 1178 CB LEU A 73 62.278 39.750 24.046 1.00 0.00 C ATOM 1179 CG LEU A 73 61.800 39.923 25.484 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.630 39.036 26.409 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.903 41.361 25.982 1.00 0.00 C ATOM 0 H LEU A 73 59.866 39.483 23.473 1.00 0.00 H new ATOM 0 HA LEU A 73 61.808 41.630 23.158 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.183 38.698 23.776 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.339 39.996 24.004 1.00 0.00 H new ATOM 0 HG LEU A 73 60.747 39.640 25.496 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.288 39.161 27.436 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.516 37.993 26.112 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.680 39.320 26.340 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.548 41.416 27.011 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.942 41.687 25.939 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.293 42.009 25.352 1.00 0.00 H new ATOM 1193 N ARG A 74 62.936 40.971 21.023 1.00 0.00 N ATOM 1194 CA ARG A 74 63.431 40.856 19.666 1.00 0.00 C ATOM 1195 C ARG A 74 62.312 40.825 18.623 1.00 0.00 C ATOM 1196 O ARG A 74 62.312 39.994 17.718 1.00 0.00 O ATOM 1197 CB ARG A 74 64.460 39.738 19.526 1.00 0.00 C ATOM 1198 CG ARG A 74 65.556 39.767 20.588 1.00 0.00 C ATOM 1199 CD ARG A 74 65.290 38.740 21.684 1.00 0.00 C ATOM 1200 NE ARG A 74 65.811 39.159 22.986 1.00 0.00 N ATOM 1201 CZ ARG A 74 65.882 38.393 24.082 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.549 37.095 24.071 1.00 0.00 N ATOM 1203 NH2 ARG A 74 66.269 38.931 25.247 1.00 0.00 N ATOM 0 H ARG A 74 63.401 41.715 21.543 1.00 0.00 H new ATOM 0 HA ARG A 74 63.974 41.774 19.444 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.947 38.778 19.574 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.921 39.804 18.541 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.521 39.565 20.124 1.00 0.00 H new ATOM 0 HG3 ARG A 74 65.615 40.763 21.026 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.216 38.569 21.764 1.00 0.00 H new ATOM 0 HD3 ARG A 74 65.744 37.789 21.404 1.00 0.00 H new ATOM 0 HE ARG A 74 66.149 40.118 23.065 1.00 0.00 H new ATOM 0 HH11 ARG A 74 65.228 36.658 23.207 1.00 0.00 H new ATOM 0 HH12 ARG A 74 65.616 36.544 24.927 1.00 0.00 H new ATOM 0 HH21 ARG A 74 66.508 39.921 25.297 1.00 0.00 H new ATOM 0 HH22 ARG A 74 66.324 38.350 26.084 1.00 0.00 H new ATOM 1217 N GLY A 75 61.329 41.705 18.787 1.00 0.00 N ATOM 1218 CA GLY A 75 60.125 41.820 17.989 1.00 0.00 C ATOM 1219 C GLY A 75 60.032 43.096 17.148 1.00 0.00 C ATOM 1220 O GLY A 75 58.925 43.534 16.843 1.00 0.00 O ATOM 0 H GLY A 75 61.360 42.401 19.532 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.063 40.958 17.324 1.00 0.00 H new ATOM 0 HA3 GLY A 75 59.261 41.775 18.652 1.00 0.00 H new ATOM 1224 N GLY A 76 61.160 43.714 16.812 1.00 0.00 N ATOM 1225 CA GLY A 76 61.259 44.999 16.149 1.00 0.00 C ATOM 1226 C GLY A 76 61.262 46.218 17.075 1.00 0.00 C ATOM 1227 O GLY A 76 61.509 46.074 18.292 1.00 0.00 O ATOM 1228 OXT GLY A 76 61.062 47.331 16.543 1.00 0.00 O ATOM 0 H GLY A 76 62.074 43.306 17.007 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.173 45.013 15.555 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.426 45.095 15.453 1.00 0.00 H new TER 1232 GLY A 76