USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 837 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 47 THR OG1 : rot -14:sc= 0.49 USER MOD Set 1.2: A 50 THR OG1 : rot -140:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 41:sc= 0.0733 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.062) USER MOD Single : A 13 THR OG1 : rot 80:sc= 0.00215 USER MOD Single : A 18 ASN : amide:sc= -0.167 K(o=-0.17,f=-3!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0213 (180deg=-0.199) USER MOD Single : A 32 GLN : amide:sc= -1.75! K(o=-1.7!,f=-0.22) USER MOD Single : A 38 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.27) USER MOD Single : A 39 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.034) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -130:sc= -2.53! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 54 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.2) USER MOD Single : A 55 GLN : amide:sc= -0.782 K(o=-0.78,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 65:sc= 0.361 USER MOD Single : A 66 THR OG1 : rot -80:sc= 0.34 USER MOD Single : A 68 GLN : amide:sc=-0.00371 X(o=-0.0037,f=-0.34) USER MOD Single : A 70 HIS : no HD1:sc=-0.00485 K(o=-0.0049,f=-6.9!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.22) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 84 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-2.8!) USER MOD Single : A 93 THR OG1 : rot 12:sc= 0.836 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00582 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.199 -8.549 6.470 1.00 51.43 N ATOM 2 CA GLY A 1 -31.644 -8.440 6.153 1.00 34.54 C ATOM 3 C GLY A 1 -31.919 -7.324 5.165 1.00 45.41 C ATOM 4 O GLY A 1 -32.323 -6.225 5.559 1.00 55.13 O ATOM 0 H1 GLY A 1 -30.050 -9.323 7.149 1.00 51.43 H new ATOM 0 H2 GLY A 1 -29.666 -8.745 5.599 1.00 51.43 H new ATOM 0 H3 GLY A 1 -29.866 -7.655 6.885 1.00 51.43 H new ATOM 0 HA2 GLY A 1 -31.999 -9.385 5.742 1.00 34.54 H new ATOM 0 HA3 GLY A 1 -32.205 -8.261 7.070 1.00 34.54 H new ATOM 10 N THR A 2 -31.666 -7.603 3.872 1.00 51.10 N ATOM 11 CA THR A 2 -31.866 -6.648 2.763 1.00 34.24 C ATOM 12 C THR A 2 -32.323 -7.422 1.504 1.00 63.44 C ATOM 13 O THR A 2 -31.582 -8.275 1.003 1.00 13.35 O ATOM 14 CB THR A 2 -30.546 -5.844 2.457 1.00 3.11 C ATOM 15 OG1 THR A 2 -29.427 -6.747 2.410 1.00 3.10 O ATOM 16 CG2 THR A 2 -30.249 -4.734 3.484 1.00 74.43 C ATOM 0 H THR A 2 -31.313 -8.509 3.564 1.00 51.10 H new ATOM 0 HA THR A 2 -32.632 -5.929 3.054 1.00 34.24 H new ATOM 0 HB THR A 2 -30.700 -5.358 1.494 1.00 3.11 H new ATOM 0 HG1 THR A 2 -29.690 -7.570 1.948 1.00 3.10 H new ATOM 0 HG21 THR A 2 -29.326 -4.223 3.210 1.00 74.43 H new ATOM 0 HG22 THR A 2 -31.071 -4.018 3.494 1.00 74.43 H new ATOM 0 HG23 THR A 2 -30.139 -5.175 4.475 1.00 74.43 H new ATOM 24 N ILE A 3 -33.542 -7.130 1.005 1.00 2.02 N ATOM 25 CA ILE A 3 -34.132 -7.802 -0.187 1.00 74.22 C ATOM 26 C ILE A 3 -34.050 -6.834 -1.410 1.00 1.21 C ATOM 27 O ILE A 3 -34.835 -6.920 -2.363 1.00 61.11 O ATOM 28 CB ILE A 3 -35.644 -8.272 0.082 1.00 25.44 C ATOM 29 CG1 ILE A 3 -35.830 -8.930 1.510 1.00 3.31 C ATOM 30 CG2 ILE A 3 -36.136 -9.261 -1.023 1.00 11.33 C ATOM 31 CD1 ILE A 3 -35.956 -7.950 2.679 1.00 11.35 C ATOM 0 H ILE A 3 -34.151 -6.421 1.413 1.00 2.02 H new ATOM 0 HA ILE A 3 -33.560 -8.705 -0.401 1.00 74.22 H new ATOM 0 HB ILE A 3 -36.253 -7.368 0.049 1.00 25.44 H new ATOM 0 HG12 ILE A 3 -36.721 -9.557 1.488 1.00 3.31 H new ATOM 0 HG13 ILE A 3 -34.982 -9.588 1.700 1.00 3.31 H new ATOM 0 HG21 ILE A 3 -37.163 -9.560 -0.812 1.00 11.33 H new ATOM 0 HG22 ILE A 3 -36.093 -8.770 -1.995 1.00 11.33 H new ATOM 0 HG23 ILE A 3 -35.496 -10.143 -1.033 1.00 11.33 H new ATOM 0 HD11 ILE A 3 -36.079 -8.506 3.608 1.00 11.35 H new ATOM 0 HD12 ILE A 3 -35.056 -7.338 2.739 1.00 11.35 H new ATOM 0 HD13 ILE A 3 -36.822 -7.307 2.523 1.00 11.35 H new ATOM 43 N ASP A 4 -33.058 -5.916 -1.377 1.00 2.21 N ATOM 44 CA ASP A 4 -32.816 -4.940 -2.457 1.00 74.04 C ATOM 45 C ASP A 4 -32.284 -5.678 -3.696 1.00 52.54 C ATOM 46 O ASP A 4 -31.160 -6.167 -3.679 1.00 63.51 O ATOM 47 CB ASP A 4 -31.803 -3.839 -2.020 1.00 30.24 C ATOM 48 CG ASP A 4 -32.234 -3.094 -0.753 1.00 41.53 C ATOM 49 OD1 ASP A 4 -32.029 -3.641 0.352 1.00 2.14 O ATOM 50 OD2 ASP A 4 -32.781 -1.970 -0.851 1.00 2.12 O1- ATOM 0 H ASP A 4 -32.404 -5.833 -0.599 1.00 2.21 H new ATOM 0 HA ASP A 4 -33.759 -4.447 -2.691 1.00 74.04 H new ATOM 0 HB2 ASP A 4 -30.828 -4.297 -1.851 1.00 30.24 H new ATOM 0 HB3 ASP A 4 -31.682 -3.122 -2.832 1.00 30.24 H new ATOM 55 N TYR A 5 -33.104 -5.764 -4.749 1.00 4.55 N ATOM 56 CA TYR A 5 -32.759 -6.493 -5.990 1.00 5.31 C ATOM 57 C TYR A 5 -31.618 -5.799 -6.760 1.00 15.04 C ATOM 58 O TYR A 5 -30.903 -6.442 -7.533 1.00 45.12 O ATOM 59 CB TYR A 5 -34.014 -6.632 -6.889 1.00 62.24 C ATOM 60 CG TYR A 5 -35.207 -7.294 -6.181 1.00 23.34 C ATOM 61 CD1 TYR A 5 -36.201 -6.523 -5.562 1.00 71.43 C ATOM 62 CD2 TYR A 5 -35.339 -8.684 -6.124 1.00 11.12 C ATOM 63 CE1 TYR A 5 -37.273 -7.114 -4.922 1.00 53.32 C ATOM 64 CE2 TYR A 5 -36.412 -9.275 -5.483 1.00 41.10 C ATOM 65 CZ TYR A 5 -37.374 -8.487 -4.886 1.00 65.24 C ATOM 66 OH TYR A 5 -38.447 -9.079 -4.252 1.00 31.13 O ATOM 0 H TYR A 5 -34.028 -5.332 -4.772 1.00 4.55 H new ATOM 0 HA TYR A 5 -32.407 -7.486 -5.710 1.00 5.31 H new ATOM 0 HB2 TYR A 5 -34.312 -5.643 -7.238 1.00 62.24 H new ATOM 0 HB3 TYR A 5 -33.756 -7.217 -7.772 1.00 62.24 H new ATOM 0 HD1 TYR A 5 -36.127 -5.446 -5.586 1.00 71.43 H new ATOM 0 HD2 TYR A 5 -34.590 -9.308 -6.589 1.00 11.12 H new ATOM 0 HE1 TYR A 5 -38.029 -6.502 -4.452 1.00 53.32 H new ATOM 0 HE2 TYR A 5 -36.497 -10.351 -5.450 1.00 41.10 H new ATOM 0 HH TYR A 5 -38.369 -10.054 -4.318 1.00 31.13 H new ATOM 76 N GLN A 6 -31.478 -4.485 -6.546 1.00 65.12 N ATOM 77 CA GLN A 6 -30.448 -3.648 -7.188 1.00 24.12 C ATOM 78 C GLN A 6 -29.060 -3.894 -6.569 1.00 21.13 C ATOM 79 O GLN A 6 -28.078 -4.112 -7.287 1.00 63.22 O ATOM 80 CB GLN A 6 -30.846 -2.161 -7.039 1.00 20.04 C ATOM 81 CG GLN A 6 -32.170 -1.773 -7.732 1.00 50.32 C ATOM 82 CD GLN A 6 -32.610 -0.344 -7.401 1.00 61.04 C ATOM 83 OE1 GLN A 6 -33.341 -0.113 -6.433 1.00 22.01 O ATOM 84 NE2 GLN A 6 -32.159 0.626 -8.183 1.00 73.44 N ATOM 0 H GLN A 6 -32.084 -3.963 -5.913 1.00 65.12 H new ATOM 0 HA GLN A 6 -30.386 -3.913 -8.244 1.00 24.12 H new ATOM 0 HB2 GLN A 6 -30.925 -1.925 -5.978 1.00 20.04 H new ATOM 0 HB3 GLN A 6 -30.045 -1.543 -7.444 1.00 20.04 H new ATOM 0 HG2 GLN A 6 -32.054 -1.873 -8.811 1.00 50.32 H new ATOM 0 HG3 GLN A 6 -32.952 -2.469 -7.430 1.00 50.32 H new ATOM 0 HE21 GLN A 6 -31.557 0.404 -8.975 1.00 73.44 H new ATOM 0 HE22 GLN A 6 -32.414 1.595 -7.992 1.00 73.44 H new ATOM 93 N ALA A 7 -28.994 -3.847 -5.232 1.00 21.30 N ATOM 94 CA ALA A 7 -27.737 -4.000 -4.484 1.00 62.55 C ATOM 95 C ALA A 7 -27.388 -5.491 -4.336 1.00 53.33 C ATOM 96 O ALA A 7 -26.315 -5.942 -4.757 1.00 63.03 O ATOM 97 CB ALA A 7 -27.868 -3.306 -3.117 1.00 33.14 C ATOM 0 H ALA A 7 -29.810 -3.702 -4.637 1.00 21.30 H new ATOM 0 HA ALA A 7 -26.921 -3.526 -5.029 1.00 62.55 H new ATOM 0 HB1 ALA A 7 -26.937 -3.418 -2.561 1.00 33.14 H new ATOM 0 HB2 ALA A 7 -28.076 -2.246 -3.265 1.00 33.14 H new ATOM 0 HB3 ALA A 7 -28.684 -3.761 -2.555 1.00 33.14 H new ATOM 103 N LEU A 8 -28.331 -6.245 -3.765 1.00 34.02 N ATOM 104 CA LEU A 8 -28.183 -7.685 -3.525 1.00 65.30 C ATOM 105 C LEU A 8 -28.580 -8.442 -4.802 1.00 23.11 C ATOM 106 O LEU A 8 -29.763 -8.477 -5.162 1.00 53.31 O ATOM 107 CB LEU A 8 -29.058 -8.152 -2.311 1.00 72.24 C ATOM 108 CG LEU A 8 -28.687 -7.582 -0.898 1.00 11.23 C ATOM 109 CD1 LEU A 8 -27.226 -7.886 -0.531 1.00 22.14 C ATOM 110 CD2 LEU A 8 -28.998 -6.076 -0.781 1.00 22.12 C ATOM 0 H LEU A 8 -29.227 -5.871 -3.453 1.00 34.02 H new ATOM 0 HA LEU A 8 -27.144 -7.901 -3.276 1.00 65.30 H new ATOM 0 HB2 LEU A 8 -30.095 -7.887 -2.520 1.00 72.24 H new ATOM 0 HB3 LEU A 8 -29.011 -9.240 -2.259 1.00 72.24 H new ATOM 0 HG LEU A 8 -29.320 -8.095 -0.174 1.00 11.23 H new ATOM 0 HD11 LEU A 8 -27.005 -7.476 0.454 1.00 22.14 H new ATOM 0 HD12 LEU A 8 -27.071 -8.965 -0.518 1.00 22.14 H new ATOM 0 HD13 LEU A 8 -26.564 -7.433 -1.269 1.00 22.14 H new ATOM 0 HD21 LEU A 8 -28.725 -5.724 0.214 1.00 22.12 H new ATOM 0 HD22 LEU A 8 -28.426 -5.527 -1.529 1.00 22.12 H new ATOM 0 HD23 LEU A 8 -30.063 -5.911 -0.945 1.00 22.12 H new ATOM 122 N LYS A 9 -27.577 -9.003 -5.495 1.00 40.52 N ATOM 123 CA LYS A 9 -27.785 -9.803 -6.721 1.00 2.42 C ATOM 124 C LYS A 9 -26.691 -10.898 -6.826 1.00 50.43 C ATOM 125 O LYS A 9 -26.513 -11.530 -7.875 1.00 54.13 O ATOM 126 CB LYS A 9 -27.809 -8.850 -7.961 1.00 70.43 C ATOM 127 CG LYS A 9 -28.287 -9.492 -9.290 1.00 43.34 C ATOM 128 CD LYS A 9 -28.377 -8.479 -10.458 1.00 71.24 C ATOM 129 CE LYS A 9 -29.411 -7.369 -10.204 1.00 32.32 C ATOM 130 NZ LYS A 9 -29.556 -6.458 -11.373 1.00 54.30 N1+ ATOM 0 H LYS A 9 -26.597 -8.917 -5.225 1.00 40.52 H new ATOM 0 HA LYS A 9 -28.745 -10.317 -6.685 1.00 2.42 H new ATOM 0 HB2 LYS A 9 -28.457 -8.003 -7.734 1.00 70.43 H new ATOM 0 HB3 LYS A 9 -26.805 -8.452 -8.111 1.00 70.43 H new ATOM 0 HG2 LYS A 9 -27.603 -10.295 -9.565 1.00 43.34 H new ATOM 0 HG3 LYS A 9 -29.266 -9.947 -9.135 1.00 43.34 H new ATOM 0 HD2 LYS A 9 -27.398 -8.028 -10.618 1.00 71.24 H new ATOM 0 HD3 LYS A 9 -28.637 -9.009 -11.374 1.00 71.24 H new ATOM 0 HE2 LYS A 9 -30.377 -7.820 -9.975 1.00 32.32 H new ATOM 0 HE3 LYS A 9 -29.113 -6.791 -9.329 1.00 32.32 H new ATOM 0 HZ1 LYS A 9 -30.263 -5.726 -11.157 1.00 54.30 H new ATOM 0 HZ2 LYS A 9 -28.641 -6.007 -11.577 1.00 54.30 H new ATOM 0 HZ3 LYS A 9 -29.865 -7.004 -12.202 1.00 54.30 H new ATOM 144 N ARG A 10 -26.002 -11.137 -5.684 1.00 13.13 N ATOM 145 CA ARG A 10 -24.890 -12.102 -5.555 1.00 21.41 C ATOM 146 C ARG A 10 -23.723 -11.756 -6.499 1.00 14.23 C ATOM 147 O ARG A 10 -23.085 -12.647 -7.067 1.00 22.01 O ATOM 148 CB ARG A 10 -25.389 -13.569 -5.762 1.00 1.43 C ATOM 149 CG ARG A 10 -26.442 -14.053 -4.741 1.00 22.01 C ATOM 150 CD ARG A 10 -25.975 -13.914 -3.279 1.00 50.22 C ATOM 151 NE ARG A 10 -24.662 -14.544 -3.047 1.00 33.02 N ATOM 152 CZ ARG A 10 -23.818 -14.227 -2.055 1.00 4.32 C ATOM 153 NH1 ARG A 10 -24.130 -13.280 -1.168 1.00 43.13 N1+ ATOM 154 NH2 ARG A 10 -22.653 -14.861 -1.958 1.00 41.04 N ATOM 0 H ARG A 10 -26.210 -10.653 -4.811 1.00 13.13 H new ATOM 0 HA ARG A 10 -24.506 -12.028 -4.537 1.00 21.41 H new ATOM 0 HB2 ARG A 10 -25.810 -13.655 -6.764 1.00 1.43 H new ATOM 0 HB3 ARG A 10 -24.530 -14.238 -5.719 1.00 1.43 H new ATOM 0 HG2 ARG A 10 -27.361 -13.483 -4.878 1.00 22.01 H new ATOM 0 HG3 ARG A 10 -26.681 -15.097 -4.942 1.00 22.01 H new ATOM 0 HD2 ARG A 10 -25.920 -12.857 -3.017 1.00 50.22 H new ATOM 0 HD3 ARG A 10 -26.715 -14.368 -2.619 1.00 50.22 H new ATOM 0 HE ARG A 10 -24.373 -15.279 -3.692 1.00 33.02 H new ATOM 0 HH11 ARG A 10 -25.020 -12.787 -1.240 1.00 43.13 H new ATOM 0 HH12 ARG A 10 -23.478 -13.049 -0.418 1.00 43.13 H new ATOM 0 HH21 ARG A 10 -22.407 -15.583 -2.636 1.00 41.04 H new ATOM 0 HH22 ARG A 10 -22.005 -14.626 -1.206 1.00 41.04 H new ATOM 168 N ARG A 11 -23.419 -10.447 -6.607 1.00 54.22 N ATOM 169 CA ARG A 11 -22.368 -9.946 -7.510 1.00 55.52 C ATOM 170 C ARG A 11 -20.959 -10.227 -6.950 1.00 15.23 C ATOM 171 O ARG A 11 -20.687 -10.015 -5.764 1.00 75.23 O ATOM 172 CB ARG A 11 -22.539 -8.423 -7.795 1.00 3.44 C ATOM 173 CG ARG A 11 -21.506 -7.846 -8.800 1.00 32.42 C ATOM 174 CD ARG A 11 -21.667 -6.338 -9.051 1.00 23.42 C ATOM 175 NE ARG A 11 -20.696 -5.849 -10.048 1.00 71.12 N ATOM 176 CZ ARG A 11 -20.033 -4.682 -9.995 1.00 31.10 C ATOM 177 NH1 ARG A 11 -20.204 -3.831 -8.988 1.00 13.54 N1+ ATOM 178 NH2 ARG A 11 -19.177 -4.371 -10.959 1.00 64.12 N ATOM 0 H ARG A 11 -23.891 -9.715 -6.076 1.00 54.22 H new ATOM 0 HA ARG A 11 -22.476 -10.485 -8.451 1.00 55.52 H new ATOM 0 HB2 ARG A 11 -23.543 -8.247 -8.181 1.00 3.44 H new ATOM 0 HB3 ARG A 11 -22.459 -7.877 -6.855 1.00 3.44 H new ATOM 0 HG2 ARG A 11 -20.501 -8.038 -8.425 1.00 32.42 H new ATOM 0 HG3 ARG A 11 -21.599 -8.376 -9.748 1.00 32.42 H new ATOM 0 HD2 ARG A 11 -22.680 -6.132 -9.397 1.00 23.42 H new ATOM 0 HD3 ARG A 11 -21.533 -5.796 -8.115 1.00 23.42 H new ATOM 0 HE ARG A 11 -20.511 -6.451 -10.850 1.00 71.12 H new ATOM 0 HH11 ARG A 11 -20.851 -4.058 -8.233 1.00 13.54 H new ATOM 0 HH12 ARG A 11 -19.689 -2.951 -8.971 1.00 13.54 H new ATOM 0 HH21 ARG A 11 -19.026 -5.016 -11.734 1.00 64.12 H new ATOM 0 HH22 ARG A 11 -18.670 -3.487 -10.925 1.00 64.12 H new ATOM 192 N HIS A 12 -20.091 -10.729 -7.834 1.00 0.11 N ATOM 193 CA HIS A 12 -18.645 -10.849 -7.607 1.00 45.45 C ATOM 194 C HIS A 12 -17.928 -10.411 -8.892 1.00 71.10 C ATOM 195 O HIS A 12 -18.483 -10.527 -9.991 1.00 50.40 O ATOM 196 CB HIS A 12 -18.254 -12.300 -7.203 1.00 53.54 C ATOM 197 CG HIS A 12 -16.758 -12.526 -7.053 1.00 63.30 C ATOM 198 ND1 HIS A 12 -16.041 -12.156 -5.935 1.00 55.01 N ATOM 199 CD2 HIS A 12 -15.845 -13.051 -7.913 1.00 40.21 C ATOM 200 CE1 HIS A 12 -14.765 -12.436 -6.118 1.00 70.31 C ATOM 201 NE2 HIS A 12 -14.621 -12.982 -7.306 1.00 70.02 N ATOM 0 H HIS A 12 -20.380 -11.072 -8.750 1.00 0.11 H new ATOM 0 HA HIS A 12 -18.343 -10.209 -6.778 1.00 45.45 H new ATOM 0 HB2 HIS A 12 -18.743 -12.547 -6.261 1.00 53.54 H new ATOM 0 HB3 HIS A 12 -18.641 -12.990 -7.953 1.00 53.54 H new ATOM 0 HD2 HIS A 12 -16.049 -13.450 -8.896 1.00 40.21 H new ATOM 0 HE1 HIS A 12 -13.971 -12.248 -5.410 1.00 70.31 H new ATOM 0 HE2 HIS A 12 -13.740 -13.302 -7.709 1.00 70.02 H new ATOM 210 N THR A 13 -16.699 -9.899 -8.745 1.00 14.24 N ATOM 211 CA THR A 13 -15.885 -9.412 -9.863 1.00 43.30 C ATOM 212 C THR A 13 -14.650 -10.321 -10.072 1.00 13.51 C ATOM 213 O THR A 13 -13.673 -10.203 -9.328 1.00 53.01 O ATOM 214 CB THR A 13 -15.427 -7.941 -9.594 1.00 32.21 C ATOM 215 OG1 THR A 13 -16.573 -7.125 -9.289 1.00 41.24 O ATOM 216 CG2 THR A 13 -14.668 -7.343 -10.787 1.00 42.54 C ATOM 0 H THR A 13 -16.239 -9.811 -7.839 1.00 14.24 H new ATOM 0 HA THR A 13 -16.492 -9.436 -10.768 1.00 43.30 H new ATOM 0 HB THR A 13 -14.743 -7.959 -8.746 1.00 32.21 H new ATOM 0 HG1 THR A 13 -16.832 -7.261 -8.354 1.00 41.24 H new ATOM 0 HG21 THR A 13 -14.370 -6.321 -10.553 1.00 42.54 H new ATOM 0 HG22 THR A 13 -13.780 -7.942 -10.991 1.00 42.54 H new ATOM 0 HG23 THR A 13 -15.314 -7.341 -11.665 1.00 42.54 H new ATOM 224 N PRO A 14 -14.709 -11.301 -11.028 1.00 62.13 N ATOM 225 CA PRO A 14 -13.503 -11.995 -11.542 1.00 33.22 C ATOM 226 C PRO A 14 -12.783 -11.162 -12.627 1.00 23.03 C ATOM 227 O PRO A 14 -13.289 -10.104 -13.042 1.00 63.22 O ATOM 228 CB PRO A 14 -14.088 -13.303 -12.113 1.00 42.54 C ATOM 229 CG PRO A 14 -15.457 -12.934 -12.586 1.00 51.02 C ATOM 230 CD PRO A 14 -15.955 -11.858 -11.634 1.00 35.44 C ATOM 0 HA PRO A 14 -12.741 -12.162 -10.781 1.00 33.22 H new ATOM 0 HB2 PRO A 14 -13.477 -13.686 -12.930 1.00 42.54 H new ATOM 0 HB3 PRO A 14 -14.129 -14.083 -11.353 1.00 42.54 H new ATOM 0 HG2 PRO A 14 -15.429 -12.565 -13.611 1.00 51.02 H new ATOM 0 HG3 PRO A 14 -16.119 -13.800 -12.577 1.00 51.02 H new ATOM 0 HD2 PRO A 14 -16.519 -11.089 -12.162 1.00 35.44 H new ATOM 0 HD3 PRO A 14 -16.616 -12.274 -10.874 1.00 35.44 H new ATOM 238 N GLU A 15 -11.603 -11.636 -13.074 1.00 64.33 N ATOM 239 CA GLU A 15 -10.775 -10.927 -14.075 1.00 63.20 C ATOM 240 C GLU A 15 -11.439 -11.040 -15.461 1.00 15.13 C ATOM 241 O GLU A 15 -11.111 -11.920 -16.263 1.00 10.33 O ATOM 242 CB GLU A 15 -9.316 -11.467 -14.106 1.00 2.42 C ATOM 243 CG GLU A 15 -8.546 -11.418 -12.762 1.00 65.32 C ATOM 244 CD GLU A 15 -8.961 -12.529 -11.781 1.00 11.30 C ATOM 245 OE1 GLU A 15 -8.567 -13.695 -12.006 1.00 3.41 O ATOM 246 OE2 GLU A 15 -9.698 -12.255 -10.807 1.00 0.14 O1- ATOM 0 H GLU A 15 -11.197 -12.516 -12.755 1.00 64.33 H new ATOM 0 HA GLU A 15 -10.713 -9.876 -13.791 1.00 63.20 H new ATOM 0 HB2 GLU A 15 -9.339 -12.501 -14.451 1.00 2.42 H new ATOM 0 HB3 GLU A 15 -8.754 -10.896 -14.845 1.00 2.42 H new ATOM 0 HG2 GLU A 15 -7.477 -11.499 -12.961 1.00 65.32 H new ATOM 0 HG3 GLU A 15 -8.710 -10.448 -12.292 1.00 65.32 H new ATOM 253 N ALA A 16 -12.418 -10.160 -15.686 1.00 22.30 N ATOM 254 CA ALA A 16 -13.296 -10.165 -16.869 1.00 42.55 C ATOM 255 C ALA A 16 -14.176 -8.909 -16.833 1.00 52.31 C ATOM 256 O ALA A 16 -14.444 -8.286 -17.865 1.00 13.01 O ATOM 257 CB ALA A 16 -14.166 -11.438 -16.886 1.00 51.43 C ATOM 0 H ALA A 16 -12.631 -9.403 -15.036 1.00 22.30 H new ATOM 0 HA ALA A 16 -12.693 -10.161 -17.777 1.00 42.55 H new ATOM 0 HB1 ALA A 16 -14.809 -11.427 -17.766 1.00 51.43 H new ATOM 0 HB2 ALA A 16 -13.523 -12.318 -16.917 1.00 51.43 H new ATOM 0 HB3 ALA A 16 -14.781 -11.470 -15.987 1.00 51.43 H new ATOM 263 N GLU A 17 -14.623 -8.556 -15.610 1.00 41.15 N ATOM 264 CA GLU A 17 -15.452 -7.358 -15.348 1.00 5.51 C ATOM 265 C GLU A 17 -14.576 -6.152 -14.957 1.00 0.03 C ATOM 266 O GLU A 17 -13.346 -6.200 -15.098 1.00 14.14 O ATOM 267 CB GLU A 17 -16.506 -7.674 -14.240 1.00 23.03 C ATOM 268 CG GLU A 17 -17.727 -8.489 -14.723 1.00 12.31 C ATOM 269 CD GLU A 17 -17.368 -9.837 -15.371 1.00 71.32 C ATOM 270 OE1 GLU A 17 -16.879 -10.729 -14.663 1.00 74.35 O ATOM 271 OE2 GLU A 17 -17.550 -10.000 -16.599 1.00 75.54 O1- ATOM 0 H GLU A 17 -14.418 -9.097 -14.770 1.00 41.15 H new ATOM 0 HA GLU A 17 -15.980 -7.091 -16.263 1.00 5.51 H new ATOM 0 HB2 GLU A 17 -16.015 -8.223 -13.437 1.00 23.03 H new ATOM 0 HB3 GLU A 17 -16.859 -6.734 -13.815 1.00 23.03 H new ATOM 0 HG2 GLU A 17 -18.387 -8.671 -13.875 1.00 12.31 H new ATOM 0 HG3 GLU A 17 -18.288 -7.891 -15.441 1.00 12.31 H new ATOM 278 N ASN A 18 -15.245 -5.075 -14.495 1.00 41.43 N ATOM 279 CA ASN A 18 -14.606 -3.809 -14.077 1.00 21.42 C ATOM 280 C ASN A 18 -13.559 -4.050 -12.953 1.00 21.22 C ATOM 281 O ASN A 18 -13.929 -4.563 -11.903 1.00 12.53 O ATOM 282 CB ASN A 18 -15.694 -2.818 -13.581 1.00 14.31 C ATOM 283 CG ASN A 18 -16.722 -2.431 -14.655 1.00 44.14 C ATOM 284 OD1 ASN A 18 -17.050 -3.215 -15.551 1.00 62.35 O ATOM 285 ND2 ASN A 18 -17.241 -1.219 -14.577 1.00 75.23 N ATOM 0 H ASN A 18 -16.260 -5.060 -14.400 1.00 41.43 H new ATOM 0 HA ASN A 18 -14.086 -3.387 -14.937 1.00 21.42 H new ATOM 0 HB2 ASN A 18 -16.218 -3.263 -12.735 1.00 14.31 H new ATOM 0 HB3 ASN A 18 -15.208 -1.914 -13.215 1.00 14.31 H new ATOM 0 HD21 ASN A 18 -17.928 -0.913 -15.266 1.00 75.23 H new ATOM 0 HD22 ASN A 18 -16.955 -0.589 -13.828 1.00 75.23 H new ATOM 292 N PRO A 19 -12.244 -3.686 -13.167 1.00 2.55 N ATOM 293 CA PRO A 19 -11.127 -4.005 -12.219 1.00 60.43 C ATOM 294 C PRO A 19 -11.314 -3.416 -10.792 1.00 3.11 C ATOM 295 O PRO A 19 -10.803 -2.337 -10.479 1.00 4.23 O ATOM 296 CB PRO A 19 -9.870 -3.407 -12.933 1.00 50.32 C ATOM 297 CG PRO A 19 -10.267 -3.276 -14.374 1.00 52.41 C ATOM 298 CD PRO A 19 -11.738 -2.938 -14.355 1.00 3.54 C ATOM 0 HA PRO A 19 -11.059 -5.076 -12.031 1.00 60.43 H new ATOM 0 HB2 PRO A 19 -9.598 -2.440 -12.509 1.00 50.32 H new ATOM 0 HB3 PRO A 19 -9.004 -4.060 -12.820 1.00 50.32 H new ATOM 0 HG2 PRO A 19 -9.691 -2.495 -14.871 1.00 52.41 H new ATOM 0 HG3 PRO A 19 -10.084 -4.203 -14.918 1.00 52.41 H new ATOM 0 HD2 PRO A 19 -11.903 -1.865 -14.256 1.00 3.54 H new ATOM 0 HD3 PRO A 19 -12.236 -3.254 -15.272 1.00 3.54 H new ATOM 306 N ALA A 20 -12.073 -4.138 -9.940 1.00 23.44 N ATOM 307 CA ALA A 20 -12.359 -3.734 -8.543 1.00 32.24 C ATOM 308 C ALA A 20 -11.788 -4.780 -7.560 1.00 24.54 C ATOM 309 O ALA A 20 -10.736 -4.556 -6.949 1.00 31.11 O ATOM 310 CB ALA A 20 -13.877 -3.529 -8.353 1.00 30.20 C ATOM 0 H ALA A 20 -12.508 -5.023 -10.202 1.00 23.44 H new ATOM 0 HA ALA A 20 -11.869 -2.784 -8.330 1.00 32.24 H new ATOM 0 HB1 ALA A 20 -14.078 -3.232 -7.324 1.00 30.20 H new ATOM 0 HB2 ALA A 20 -14.226 -2.750 -9.030 1.00 30.20 H new ATOM 0 HB3 ALA A 20 -14.400 -4.460 -8.571 1.00 30.20 H new ATOM 316 N GLU A 21 -12.479 -5.932 -7.437 1.00 71.04 N ATOM 317 CA GLU A 21 -12.013 -7.074 -6.620 1.00 42.43 C ATOM 318 C GLU A 21 -10.916 -7.839 -7.377 1.00 33.21 C ATOM 319 O GLU A 21 -9.915 -8.260 -6.798 1.00 34.25 O ATOM 320 CB GLU A 21 -13.195 -8.032 -6.320 1.00 70.10 C ATOM 321 CG GLU A 21 -14.399 -7.382 -5.611 1.00 53.42 C ATOM 322 CD GLU A 21 -15.568 -8.361 -5.433 1.00 53.03 C ATOM 323 OE1 GLU A 21 -16.469 -8.384 -6.292 1.00 0.41 O ATOM 324 OE2 GLU A 21 -15.579 -9.130 -4.448 1.00 65.45 O1- ATOM 0 H GLU A 21 -13.373 -6.098 -7.899 1.00 71.04 H new ATOM 0 HA GLU A 21 -11.612 -6.695 -5.680 1.00 42.43 H new ATOM 0 HB2 GLU A 21 -13.537 -8.467 -7.259 1.00 70.10 H new ATOM 0 HB3 GLU A 21 -12.830 -8.853 -5.703 1.00 70.10 H new ATOM 0 HG2 GLU A 21 -14.086 -7.011 -4.635 1.00 53.42 H new ATOM 0 HG3 GLU A 21 -14.735 -6.519 -6.187 1.00 53.42 H new ATOM 331 N ALA A 22 -11.136 -7.965 -8.691 1.00 40.12 N ATOM 332 CA ALA A 22 -10.314 -8.778 -9.602 1.00 60.20 C ATOM 333 C ALA A 22 -8.869 -8.277 -9.725 1.00 71.35 C ATOM 334 O ALA A 22 -7.947 -9.066 -9.966 1.00 20.20 O ATOM 335 CB ALA A 22 -10.979 -8.784 -10.975 1.00 41.34 C ATOM 0 H ALA A 22 -11.908 -7.495 -9.164 1.00 40.12 H new ATOM 0 HA ALA A 22 -10.254 -9.784 -9.187 1.00 60.20 H new ATOM 0 HB1 ALA A 22 -10.384 -9.382 -11.665 1.00 41.34 H new ATOM 0 HB2 ALA A 22 -11.978 -9.211 -10.893 1.00 41.34 H new ATOM 0 HB3 ALA A 22 -11.051 -7.763 -11.349 1.00 41.34 H new ATOM 341 N ASP A 23 -8.686 -6.962 -9.554 1.00 72.01 N ATOM 342 CA ASP A 23 -7.389 -6.296 -9.777 1.00 31.21 C ATOM 343 C ASP A 23 -6.624 -6.141 -8.445 1.00 15.11 C ATOM 344 O ASP A 23 -5.705 -5.334 -8.337 1.00 51.35 O ATOM 345 CB ASP A 23 -7.630 -4.925 -10.468 1.00 43.22 C ATOM 346 CG ASP A 23 -6.379 -4.348 -11.161 1.00 41.14 C ATOM 347 OD1 ASP A 23 -5.878 -3.278 -10.751 1.00 20.40 O ATOM 348 OD2 ASP A 23 -5.887 -4.977 -12.118 1.00 62.31 O1- ATOM 0 H ASP A 23 -9.428 -6.328 -9.258 1.00 72.01 H new ATOM 0 HA ASP A 23 -6.769 -6.907 -10.432 1.00 31.21 H new ATOM 0 HB2 ASP A 23 -8.424 -5.036 -11.206 1.00 43.22 H new ATOM 0 HB3 ASP A 23 -7.983 -4.211 -9.724 1.00 43.22 H new ATOM 353 N LEU A 24 -7.011 -6.948 -7.435 1.00 70.13 N ATOM 354 CA LEU A 24 -6.356 -6.973 -6.109 1.00 15.42 C ATOM 355 C LEU A 24 -4.835 -7.269 -6.263 1.00 54.23 C ATOM 356 O LEU A 24 -4.477 -8.227 -6.954 1.00 53.50 O ATOM 357 CB LEU A 24 -7.038 -8.055 -5.222 1.00 23.13 C ATOM 358 CG LEU A 24 -6.544 -8.186 -3.743 1.00 54.24 C ATOM 359 CD1 LEU A 24 -6.850 -6.919 -2.912 1.00 23.24 C ATOM 360 CD2 LEU A 24 -7.131 -9.456 -3.079 1.00 25.41 C ATOM 0 H LEU A 24 -7.789 -7.603 -7.516 1.00 70.13 H new ATOM 0 HA LEU A 24 -6.463 -5.999 -5.632 1.00 15.42 H new ATOM 0 HB2 LEU A 24 -8.108 -7.850 -5.203 1.00 23.13 H new ATOM 0 HB3 LEU A 24 -6.907 -9.022 -5.708 1.00 23.13 H new ATOM 0 HG LEU A 24 -5.459 -8.287 -3.769 1.00 54.24 H new ATOM 0 HD11 LEU A 24 -6.489 -7.056 -1.893 1.00 23.24 H new ATOM 0 HD12 LEU A 24 -6.351 -6.060 -3.361 1.00 23.24 H new ATOM 0 HD13 LEU A 24 -7.926 -6.746 -2.896 1.00 23.24 H new ATOM 0 HD21 LEU A 24 -6.775 -9.527 -2.051 1.00 25.41 H new ATOM 0 HD22 LEU A 24 -8.219 -9.398 -3.082 1.00 25.41 H new ATOM 0 HD23 LEU A 24 -6.813 -10.338 -3.635 1.00 25.41 H new ATOM 372 N PRO A 25 -3.927 -6.422 -5.669 1.00 3.20 N ATOM 373 CA PRO A 25 -2.457 -6.639 -5.737 1.00 15.23 C ATOM 374 C PRO A 25 -2.043 -7.979 -5.090 1.00 10.44 C ATOM 375 O PRO A 25 -2.350 -8.238 -3.917 1.00 65.24 O ATOM 376 CB PRO A 25 -1.875 -5.410 -4.982 1.00 54.21 C ATOM 377 CG PRO A 25 -2.998 -4.911 -4.127 1.00 73.12 C ATOM 378 CD PRO A 25 -4.254 -5.185 -4.913 1.00 44.30 C ATOM 0 HA PRO A 25 -2.085 -6.713 -6.759 1.00 15.23 H new ATOM 0 HB2 PRO A 25 -1.013 -5.691 -4.377 1.00 54.21 H new ATOM 0 HB3 PRO A 25 -1.539 -4.642 -5.679 1.00 54.21 H new ATOM 0 HG2 PRO A 25 -3.017 -5.424 -3.165 1.00 73.12 H new ATOM 0 HG3 PRO A 25 -2.890 -3.847 -3.919 1.00 73.12 H new ATOM 0 HD2 PRO A 25 -5.113 -5.330 -4.259 1.00 44.30 H new ATOM 0 HD3 PRO A 25 -4.498 -4.359 -5.581 1.00 44.30 H new ATOM 386 N GLN A 26 -1.349 -8.821 -5.874 1.00 23.25 N ATOM 387 CA GLN A 26 -1.016 -10.202 -5.496 1.00 65.11 C ATOM 388 C GLN A 26 0.509 -10.336 -5.341 1.00 1.14 C ATOM 389 O GLN A 26 1.253 -10.134 -6.309 1.00 24.32 O ATOM 390 CB GLN A 26 -1.553 -11.185 -6.576 1.00 40.32 C ATOM 391 CG GLN A 26 -3.088 -11.132 -6.784 1.00 4.01 C ATOM 392 CD GLN A 26 -3.563 -11.868 -8.040 1.00 1.43 C ATOM 393 OE1 GLN A 26 -2.849 -11.950 -9.038 1.00 43.54 O ATOM 394 NE2 GLN A 26 -4.780 -12.380 -8.017 1.00 74.32 N ATOM 0 H GLN A 26 -1.001 -8.558 -6.796 1.00 23.25 H new ATOM 0 HA GLN A 26 -1.486 -10.449 -4.544 1.00 65.11 H new ATOM 0 HB2 GLN A 26 -1.062 -10.967 -7.525 1.00 40.32 H new ATOM 0 HB3 GLN A 26 -1.271 -12.201 -6.298 1.00 40.32 H new ATOM 0 HG2 GLN A 26 -3.579 -11.564 -5.912 1.00 4.01 H new ATOM 0 HG3 GLN A 26 -3.402 -10.090 -6.843 1.00 4.01 H new ATOM 0 HE21 GLN A 26 -5.352 -12.298 -7.176 1.00 74.32 H new ATOM 0 HE22 GLN A 26 -5.148 -12.857 -8.840 1.00 74.32 H new ATOM 403 N GLY A 27 0.958 -10.654 -4.117 1.00 31.41 N ATOM 404 CA GLY A 27 2.382 -10.814 -3.811 1.00 21.34 C ATOM 405 C GLY A 27 2.751 -10.111 -2.515 1.00 51.41 C ATOM 406 O GLY A 27 2.014 -9.230 -2.064 1.00 3.13 O ATOM 0 H GLY A 27 0.344 -10.806 -3.317 1.00 31.41 H new ATOM 0 HA2 GLY A 27 2.622 -11.874 -3.733 1.00 21.34 H new ATOM 0 HA3 GLY A 27 2.979 -10.411 -4.629 1.00 21.34 H new ATOM 410 N ASP A 28 3.897 -10.495 -1.932 1.00 13.12 N ATOM 411 CA ASP A 28 4.390 -9.944 -0.648 1.00 41.31 C ATOM 412 C ASP A 28 4.649 -8.433 -0.751 1.00 24.25 C ATOM 413 O ASP A 28 4.249 -7.653 0.131 1.00 13.01 O ATOM 414 CB ASP A 28 5.693 -10.668 -0.216 1.00 22.33 C ATOM 415 CG ASP A 28 5.498 -12.180 -0.025 1.00 52.42 C ATOM 416 OD1 ASP A 28 5.804 -12.957 -0.955 1.00 1.20 O ATOM 417 OD2 ASP A 28 5.008 -12.599 1.048 1.00 45.23 O1- ATOM 0 H ASP A 28 4.515 -11.199 -2.335 1.00 13.12 H new ATOM 0 HA ASP A 28 3.617 -10.110 0.102 1.00 41.31 H new ATOM 0 HB2 ASP A 28 6.464 -10.498 -0.967 1.00 22.33 H new ATOM 0 HB3 ASP A 28 6.054 -10.232 0.716 1.00 22.33 H new ATOM 422 N ILE A 29 5.310 -8.036 -1.849 1.00 45.12 N ATOM 423 CA ILE A 29 5.691 -6.642 -2.091 1.00 72.23 C ATOM 424 C ILE A 29 4.443 -5.822 -2.460 1.00 33.44 C ATOM 425 O ILE A 29 4.249 -4.727 -1.942 1.00 40.41 O ATOM 426 CB ILE A 29 6.779 -6.523 -3.220 1.00 73.14 C ATOM 427 CG1 ILE A 29 7.996 -7.465 -2.938 1.00 61.55 C ATOM 428 CG2 ILE A 29 7.249 -5.060 -3.394 1.00 44.52 C ATOM 429 CD1 ILE A 29 8.756 -7.193 -1.646 1.00 22.02 C ATOM 0 H ILE A 29 5.594 -8.674 -2.592 1.00 45.12 H new ATOM 0 HA ILE A 29 6.129 -6.246 -1.175 1.00 72.23 H new ATOM 0 HB ILE A 29 6.316 -6.842 -4.154 1.00 73.14 H new ATOM 0 HG12 ILE A 29 7.638 -8.494 -2.918 1.00 61.55 H new ATOM 0 HG13 ILE A 29 8.694 -7.386 -3.772 1.00 61.55 H new ATOM 0 HG21 ILE A 29 8.001 -5.011 -4.182 1.00 44.52 H new ATOM 0 HG22 ILE A 29 6.398 -4.434 -3.665 1.00 44.52 H new ATOM 0 HG23 ILE A 29 7.679 -4.702 -2.459 1.00 44.52 H new ATOM 0 HD11 ILE A 29 9.578 -7.903 -1.551 1.00 22.02 H new ATOM 0 HD12 ILE A 29 9.153 -6.178 -1.664 1.00 22.02 H new ATOM 0 HD13 ILE A 29 8.081 -7.303 -0.797 1.00 22.02 H new ATOM 441 N GLU A 30 3.582 -6.405 -3.320 1.00 34.21 N ATOM 442 CA GLU A 30 2.342 -5.765 -3.792 1.00 13.43 C ATOM 443 C GLU A 30 1.382 -5.460 -2.622 1.00 61.33 C ATOM 444 O GLU A 30 0.718 -4.423 -2.620 1.00 22.24 O ATOM 445 CB GLU A 30 1.639 -6.668 -4.842 1.00 74.55 C ATOM 446 CG GLU A 30 2.334 -6.761 -6.224 1.00 75.30 C ATOM 447 CD GLU A 30 3.751 -7.368 -6.196 1.00 21.25 C ATOM 448 OE1 GLU A 30 3.946 -8.413 -5.532 1.00 53.31 O ATOM 449 OE2 GLU A 30 4.670 -6.825 -6.851 1.00 11.23 O1- ATOM 0 H GLU A 30 3.731 -7.337 -3.707 1.00 34.21 H new ATOM 0 HA GLU A 30 2.612 -4.817 -4.258 1.00 13.43 H new ATOM 0 HB2 GLU A 30 1.555 -7.674 -4.430 1.00 74.55 H new ATOM 0 HB3 GLU A 30 0.624 -6.298 -4.991 1.00 74.55 H new ATOM 0 HG2 GLU A 30 1.711 -7.359 -6.889 1.00 75.30 H new ATOM 0 HG3 GLU A 30 2.391 -5.761 -6.654 1.00 75.30 H new ATOM 456 N LYS A 31 1.332 -6.374 -1.631 1.00 42.42 N ATOM 457 CA LYS A 31 0.524 -6.192 -0.412 1.00 20.43 C ATOM 458 C LYS A 31 1.075 -5.043 0.452 1.00 72.31 C ATOM 459 O LYS A 31 0.303 -4.222 0.958 1.00 64.23 O ATOM 460 CB LYS A 31 0.474 -7.504 0.419 1.00 51.54 C ATOM 461 CG LYS A 31 -0.441 -8.601 -0.157 1.00 73.43 C ATOM 462 CD LYS A 31 -0.517 -9.834 0.769 1.00 15.44 C ATOM 463 CE LYS A 31 -1.564 -10.854 0.311 1.00 1.21 C ATOM 464 NZ LYS A 31 -2.948 -10.293 0.332 1.00 24.03 N1+ ATOM 0 H LYS A 31 1.848 -7.253 -1.655 1.00 42.42 H new ATOM 0 HA LYS A 31 -0.489 -5.935 -0.723 1.00 20.43 H new ATOM 0 HB2 LYS A 31 1.485 -7.902 0.504 1.00 51.54 H new ATOM 0 HB3 LYS A 31 0.140 -7.265 1.429 1.00 51.54 H new ATOM 0 HG2 LYS A 31 -1.442 -8.197 -0.306 1.00 73.43 H new ATOM 0 HG3 LYS A 31 -0.071 -8.905 -1.136 1.00 73.43 H new ATOM 0 HD2 LYS A 31 0.460 -10.315 0.807 1.00 15.44 H new ATOM 0 HD3 LYS A 31 -0.752 -9.508 1.782 1.00 15.44 H new ATOM 0 HE2 LYS A 31 -1.325 -11.188 -0.699 1.00 1.21 H new ATOM 0 HE3 LYS A 31 -1.520 -11.731 0.956 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -3.638 -11.067 0.248 1.00 24.03 H new ATOM 0 HZ2 LYS A 31 -3.104 -9.786 1.227 1.00 24.03 H new ATOM 0 HZ3 LYS A 31 -3.068 -9.635 -0.464 1.00 24.03 H new ATOM 478 N GLN A 32 2.411 -5.009 0.616 1.00 51.34 N ATOM 479 CA GLN A 32 3.105 -3.976 1.408 1.00 62.33 C ATOM 480 C GLN A 32 2.856 -2.576 0.821 1.00 21.14 C ATOM 481 O GLN A 32 2.494 -1.643 1.547 1.00 14.51 O ATOM 482 CB GLN A 32 4.625 -4.285 1.463 1.00 61.30 C ATOM 483 CG GLN A 32 5.488 -3.240 2.216 1.00 31.30 C ATOM 484 CD GLN A 32 5.145 -3.075 3.706 1.00 61.40 C ATOM 485 OE1 GLN A 32 4.681 -4.002 4.370 1.00 73.41 O ATOM 486 NE2 GLN A 32 5.385 -1.897 4.247 1.00 35.14 N ATOM 0 H GLN A 32 3.040 -5.698 0.203 1.00 51.34 H new ATOM 0 HA GLN A 32 2.706 -3.988 2.422 1.00 62.33 H new ATOM 0 HB2 GLN A 32 4.764 -5.256 1.938 1.00 61.30 H new ATOM 0 HB3 GLN A 32 4.998 -4.372 0.443 1.00 61.30 H new ATOM 0 HG2 GLN A 32 6.537 -3.524 2.128 1.00 31.30 H new ATOM 0 HG3 GLN A 32 5.377 -2.274 1.723 1.00 31.30 H new ATOM 0 HE21 GLN A 32 5.770 -1.143 3.678 1.00 35.14 H new ATOM 0 HE22 GLN A 32 5.186 -1.739 5.235 1.00 35.14 H new ATOM 495 N VAL A 33 3.023 -2.468 -0.507 1.00 55.22 N ATOM 496 CA VAL A 33 2.835 -1.213 -1.246 1.00 63.40 C ATOM 497 C VAL A 33 1.352 -0.791 -1.213 1.00 62.45 C ATOM 498 O VAL A 33 1.052 0.386 -1.042 1.00 21.44 O ATOM 499 CB VAL A 33 3.358 -1.357 -2.728 1.00 20.12 C ATOM 500 CG1 VAL A 33 3.139 -0.077 -3.568 1.00 14.22 C ATOM 501 CG2 VAL A 33 4.848 -1.760 -2.738 1.00 32.25 C ATOM 0 H VAL A 33 3.293 -3.253 -1.099 1.00 55.22 H new ATOM 0 HA VAL A 33 3.420 -0.430 -0.763 1.00 63.40 H new ATOM 0 HB VAL A 33 2.768 -2.146 -3.195 1.00 20.12 H new ATOM 0 HG11 VAL A 33 3.518 -0.235 -4.578 1.00 14.22 H new ATOM 0 HG12 VAL A 33 2.074 0.152 -3.612 1.00 14.22 H new ATOM 0 HG13 VAL A 33 3.670 0.756 -3.107 1.00 14.22 H new ATOM 0 HG21 VAL A 33 5.192 -1.855 -3.768 1.00 32.25 H new ATOM 0 HG22 VAL A 33 5.435 -0.996 -2.228 1.00 32.25 H new ATOM 0 HG23 VAL A 33 4.970 -2.714 -2.225 1.00 32.25 H new ATOM 511 N ALA A 34 0.438 -1.782 -1.305 1.00 42.41 N ATOM 512 CA ALA A 34 -1.017 -1.546 -1.248 1.00 41.32 C ATOM 513 C ALA A 34 -1.435 -0.911 0.078 1.00 23.24 C ATOM 514 O ALA A 34 -2.135 0.103 0.093 1.00 71.30 O ATOM 515 CB ALA A 34 -1.780 -2.852 -1.464 1.00 32.45 C ATOM 0 H ALA A 34 0.689 -2.764 -1.420 1.00 42.41 H new ATOM 0 HA ALA A 34 -1.265 -0.849 -2.048 1.00 41.32 H new ATOM 0 HB1 ALA A 34 -2.852 -2.659 -1.419 1.00 32.45 H new ATOM 0 HB2 ALA A 34 -1.526 -3.264 -2.441 1.00 32.45 H new ATOM 0 HB3 ALA A 34 -1.507 -3.566 -0.687 1.00 32.45 H new ATOM 521 N ALA A 35 -0.963 -1.516 1.178 1.00 65.11 N ATOM 522 CA ALA A 35 -1.274 -1.071 2.540 1.00 53.42 C ATOM 523 C ALA A 35 -0.747 0.346 2.785 1.00 23.11 C ATOM 524 O ALA A 35 -1.469 1.192 3.317 1.00 22.43 O ATOM 525 CB ALA A 35 -0.702 -2.059 3.558 1.00 13.22 C ATOM 0 H ALA A 35 -0.352 -2.332 1.145 1.00 65.11 H new ATOM 0 HA ALA A 35 -2.357 -1.043 2.660 1.00 53.42 H new ATOM 0 HB1 ALA A 35 -0.938 -1.720 4.567 1.00 13.22 H new ATOM 0 HB2 ALA A 35 -1.139 -3.044 3.395 1.00 13.22 H new ATOM 0 HB3 ALA A 35 0.380 -2.118 3.439 1.00 13.22 H new ATOM 531 N LEU A 36 0.500 0.603 2.336 1.00 15.54 N ATOM 532 CA LEU A 36 1.144 1.922 2.471 1.00 31.03 C ATOM 533 C LEU A 36 0.410 2.994 1.646 1.00 71.02 C ATOM 534 O LEU A 36 0.271 4.122 2.095 1.00 43.20 O ATOM 535 CB LEU A 36 2.643 1.854 2.069 1.00 61.34 C ATOM 536 CG LEU A 36 3.579 1.054 3.029 1.00 63.04 C ATOM 537 CD1 LEU A 36 5.030 1.029 2.500 1.00 33.13 C ATOM 538 CD2 LEU A 36 3.509 1.610 4.471 1.00 1.31 C ATOM 0 H LEU A 36 1.083 -0.094 1.873 1.00 15.54 H new ATOM 0 HA LEU A 36 1.083 2.209 3.521 1.00 31.03 H new ATOM 0 HB2 LEU A 36 2.711 1.410 1.076 1.00 61.34 H new ATOM 0 HB3 LEU A 36 3.023 2.873 1.990 1.00 61.34 H new ATOM 0 HG LEU A 36 3.224 0.024 3.059 1.00 63.04 H new ATOM 0 HD11 LEU A 36 5.659 0.465 3.189 1.00 33.13 H new ATOM 0 HD12 LEU A 36 5.051 0.555 1.519 1.00 33.13 H new ATOM 0 HD13 LEU A 36 5.405 2.049 2.419 1.00 33.13 H new ATOM 0 HD21 LEU A 36 4.171 1.033 5.116 1.00 1.31 H new ATOM 0 HD22 LEU A 36 3.820 2.655 4.474 1.00 1.31 H new ATOM 0 HD23 LEU A 36 2.486 1.535 4.841 1.00 1.31 H new ATOM 550 N TRP A 37 -0.070 2.630 0.447 1.00 54.24 N ATOM 551 CA TRP A 37 -0.866 3.552 -0.391 1.00 63.41 C ATOM 552 C TRP A 37 -2.238 3.839 0.259 1.00 52.10 C ATOM 553 O TRP A 37 -2.747 4.952 0.173 1.00 22.01 O ATOM 554 CB TRP A 37 -1.061 2.987 -1.819 1.00 51.25 C ATOM 555 CG TRP A 37 0.142 3.050 -2.737 1.00 1.21 C ATOM 556 CD1 TRP A 37 1.463 3.065 -2.396 1.00 55.02 C ATOM 557 CD2 TRP A 37 0.108 3.083 -4.172 1.00 50.52 C ATOM 558 NE1 TRP A 37 2.243 3.113 -3.522 1.00 24.54 N ATOM 559 CE2 TRP A 37 1.438 3.119 -4.623 1.00 12.12 C ATOM 560 CE3 TRP A 37 -0.921 3.081 -5.115 1.00 72.34 C ATOM 561 CZ2 TRP A 37 1.770 3.158 -5.971 1.00 41.23 C ATOM 562 CZ3 TRP A 37 -0.594 3.125 -6.452 1.00 70.12 C ATOM 563 CH2 TRP A 37 0.743 3.157 -6.871 1.00 52.25 C ATOM 0 H TRP A 37 0.076 1.709 0.034 1.00 54.24 H new ATOM 0 HA TRP A 37 -0.312 4.488 -0.467 1.00 63.41 H new ATOM 0 HB2 TRP A 37 -1.373 1.946 -1.735 1.00 51.25 H new ATOM 0 HB3 TRP A 37 -1.881 3.528 -2.292 1.00 51.25 H new ATOM 0 HD1 TRP A 37 1.840 3.042 -1.384 1.00 55.02 H new ATOM 0 HE1 TRP A 37 3.263 3.140 -3.535 1.00 24.54 H new ATOM 0 HE3 TRP A 37 -1.954 3.046 -4.802 1.00 72.34 H new ATOM 0 HZ2 TRP A 37 2.800 3.188 -6.295 1.00 41.23 H new ATOM 0 HZ3 TRP A 37 -1.382 3.135 -7.191 1.00 70.12 H new ATOM 0 HH2 TRP A 37 0.966 3.181 -7.928 1.00 52.25 H new ATOM 574 N GLN A 38 -2.827 2.837 0.931 1.00 2.33 N ATOM 575 CA GLN A 38 -4.149 2.993 1.583 1.00 0.45 C ATOM 576 C GLN A 38 -4.070 3.866 2.851 1.00 42.50 C ATOM 577 O GLN A 38 -5.061 4.504 3.222 1.00 54.34 O ATOM 578 CB GLN A 38 -4.800 1.607 1.851 1.00 34.22 C ATOM 579 CG GLN A 38 -5.213 0.882 0.548 1.00 0.11 C ATOM 580 CD GLN A 38 -5.927 -0.456 0.731 1.00 4.21 C ATOM 581 OE1 GLN A 38 -6.629 -0.680 1.712 1.00 30.10 O ATOM 582 NE2 GLN A 38 -5.770 -1.353 -0.236 1.00 60.33 N ATOM 0 H GLN A 38 -2.415 1.910 1.040 1.00 2.33 H new ATOM 0 HA GLN A 38 -4.801 3.528 0.893 1.00 0.45 H new ATOM 0 HB2 GLN A 38 -4.099 0.981 2.404 1.00 34.22 H new ATOM 0 HB3 GLN A 38 -5.678 1.738 2.483 1.00 34.22 H new ATOM 0 HG2 GLN A 38 -5.863 1.544 -0.024 1.00 0.11 H new ATOM 0 HG3 GLN A 38 -4.319 0.716 -0.053 1.00 0.11 H new ATOM 0 HE21 GLN A 38 -5.180 -1.138 -1.040 1.00 60.33 H new ATOM 0 HE22 GLN A 38 -6.240 -2.256 -0.175 1.00 60.33 H new ATOM 591 N GLN A 39 -2.884 3.920 3.484 1.00 42.33 N ATOM 592 CA GLN A 39 -2.638 4.796 4.644 1.00 41.25 C ATOM 593 C GLN A 39 -2.229 6.202 4.164 1.00 20.24 C ATOM 594 O GLN A 39 -2.924 7.192 4.430 1.00 61.30 O ATOM 595 CB GLN A 39 -1.539 4.190 5.565 1.00 0.45 C ATOM 596 CG GLN A 39 -1.830 2.763 6.073 1.00 74.12 C ATOM 597 CD GLN A 39 -3.168 2.632 6.807 1.00 64.34 C ATOM 598 OE1 GLN A 39 -4.199 2.344 6.205 1.00 21.00 O ATOM 599 NE2 GLN A 39 -3.161 2.842 8.111 1.00 41.43 N ATOM 0 H GLN A 39 -2.075 3.363 3.209 1.00 42.33 H new ATOM 0 HA GLN A 39 -3.558 4.877 5.223 1.00 41.25 H new ATOM 0 HB2 GLN A 39 -0.595 4.180 5.021 1.00 0.45 H new ATOM 0 HB3 GLN A 39 -1.405 4.846 6.425 1.00 0.45 H new ATOM 0 HG2 GLN A 39 -1.821 2.077 5.226 1.00 74.12 H new ATOM 0 HG3 GLN A 39 -1.027 2.454 6.742 1.00 74.12 H new ATOM 0 HE21 GLN A 39 -2.289 3.080 8.585 1.00 41.43 H new ATOM 0 HE22 GLN A 39 -4.027 2.766 8.644 1.00 41.43 H new ATOM 608 N LEU A 40 -1.108 6.260 3.422 1.00 3.11 N ATOM 609 CA LEU A 40 -0.467 7.515 2.986 1.00 53.24 C ATOM 610 C LEU A 40 -1.368 8.357 2.045 1.00 52.00 C ATOM 611 O LEU A 40 -1.384 9.584 2.160 1.00 33.43 O ATOM 612 CB LEU A 40 0.910 7.204 2.315 1.00 74.24 C ATOM 613 CG LEU A 40 2.139 6.958 3.264 1.00 21.41 C ATOM 614 CD1 LEU A 40 2.516 8.240 4.037 1.00 42.35 C ATOM 615 CD2 LEU A 40 1.923 5.766 4.230 1.00 42.14 C ATOM 0 H LEU A 40 -0.615 5.426 3.104 1.00 3.11 H new ATOM 0 HA LEU A 40 -0.306 8.124 3.875 1.00 53.24 H new ATOM 0 HB2 LEU A 40 0.787 6.321 1.688 1.00 74.24 H new ATOM 0 HB3 LEU A 40 1.157 8.034 1.653 1.00 74.24 H new ATOM 0 HG LEU A 40 2.976 6.689 2.620 1.00 21.41 H new ATOM 0 HD11 LEU A 40 3.369 8.037 4.684 1.00 42.35 H new ATOM 0 HD12 LEU A 40 2.776 9.028 3.330 1.00 42.35 H new ATOM 0 HD13 LEU A 40 1.669 8.562 4.643 1.00 42.35 H new ATOM 0 HD21 LEU A 40 2.804 5.644 4.860 1.00 42.14 H new ATOM 0 HD22 LEU A 40 1.052 5.959 4.857 1.00 42.14 H new ATOM 0 HD23 LEU A 40 1.761 4.855 3.654 1.00 42.14 H new ATOM 627 N LEU A 41 -2.101 7.702 1.114 1.00 35.22 N ATOM 628 CA LEU A 41 -3.030 8.416 0.192 1.00 70.23 C ATOM 629 C LEU A 41 -4.394 8.655 0.860 1.00 33.32 C ATOM 630 O LEU A 41 -5.191 9.457 0.361 1.00 54.24 O ATOM 631 CB LEU A 41 -3.250 7.632 -1.142 1.00 41.42 C ATOM 632 CG LEU A 41 -1.991 7.266 -1.966 1.00 74.03 C ATOM 633 CD1 LEU A 41 -2.356 6.508 -3.265 1.00 24.14 C ATOM 634 CD2 LEU A 41 -1.145 8.512 -2.254 1.00 12.04 C ATOM 0 H LEU A 41 -2.072 6.692 0.978 1.00 35.22 H new ATOM 0 HA LEU A 41 -2.561 9.372 -0.039 1.00 70.23 H new ATOM 0 HB2 LEU A 41 -3.780 6.709 -0.907 1.00 41.42 H new ATOM 0 HB3 LEU A 41 -3.908 8.225 -1.777 1.00 41.42 H new ATOM 0 HG LEU A 41 -1.387 6.587 -1.365 1.00 74.03 H new ATOM 0 HD11 LEU A 41 -1.446 6.269 -3.815 1.00 24.14 H new ATOM 0 HD12 LEU A 41 -2.880 5.586 -3.013 1.00 24.14 H new ATOM 0 HD13 LEU A 41 -2.999 7.134 -3.883 1.00 24.14 H new ATOM 0 HD21 LEU A 41 -0.266 8.229 -2.834 1.00 12.04 H new ATOM 0 HD22 LEU A 41 -1.737 9.231 -2.820 1.00 12.04 H new ATOM 0 HD23 LEU A 41 -0.829 8.963 -1.313 1.00 12.04 H new ATOM 646 N SER A 42 -4.648 7.925 1.969 1.00 20.12 N ATOM 647 CA SER A 42 -5.938 7.929 2.688 1.00 20.24 C ATOM 648 C SER A 42 -7.051 7.360 1.785 1.00 22.53 C ATOM 649 O SER A 42 -8.116 7.968 1.609 1.00 31.52 O ATOM 650 CB SER A 42 -6.273 9.350 3.235 1.00 50.24 C ATOM 651 OG SER A 42 -5.269 9.796 4.135 1.00 21.51 O ATOM 0 H SER A 42 -3.954 7.310 2.393 1.00 20.12 H new ATOM 0 HA SER A 42 -5.862 7.278 3.559 1.00 20.24 H new ATOM 0 HB2 SER A 42 -6.361 10.052 2.406 1.00 50.24 H new ATOM 0 HB3 SER A 42 -7.238 9.331 3.741 1.00 50.24 H new ATOM 0 HG SER A 42 -5.499 10.690 4.464 1.00 21.51 H new ATOM 657 N THR A 43 -6.783 6.162 1.220 1.00 74.42 N ATOM 658 CA THR A 43 -7.693 5.491 0.268 1.00 15.14 C ATOM 659 C THR A 43 -8.295 4.217 0.886 1.00 0.14 C ATOM 660 O THR A 43 -7.704 3.608 1.789 1.00 71.40 O ATOM 661 CB THR A 43 -6.944 5.148 -1.064 1.00 13.14 C ATOM 662 OG1 THR A 43 -5.828 4.283 -0.797 1.00 63.00 O ATOM 663 CG2 THR A 43 -6.432 6.410 -1.773 1.00 3.04 C ATOM 0 H THR A 43 -5.931 5.635 1.411 1.00 74.42 H new ATOM 0 HA THR A 43 -8.508 6.179 0.042 1.00 15.14 H new ATOM 0 HB THR A 43 -7.661 4.650 -1.716 1.00 13.14 H new ATOM 0 HG1 THR A 43 -5.025 4.643 -1.227 1.00 63.00 H new ATOM 0 HG21 THR A 43 -5.919 6.128 -2.692 1.00 3.04 H new ATOM 0 HG22 THR A 43 -7.274 7.060 -2.012 1.00 3.04 H new ATOM 0 HG23 THR A 43 -5.740 6.939 -1.119 1.00 3.04 H new ATOM 671 N GLY A 44 -9.484 3.821 0.378 1.00 53.13 N ATOM 672 CA GLY A 44 -10.190 2.633 0.862 1.00 64.52 C ATOM 673 C GLY A 44 -9.613 1.343 0.303 1.00 21.32 C ATOM 674 O GLY A 44 -9.417 0.370 1.040 1.00 0.01 O ATOM 0 H GLY A 44 -9.969 4.316 -0.370 1.00 53.13 H new ATOM 0 HA2 GLY A 44 -10.144 2.606 1.951 1.00 64.52 H new ATOM 0 HA3 GLY A 44 -11.243 2.704 0.589 1.00 64.52 H new ATOM 678 N ASN A 45 -9.319 1.357 -1.005 1.00 43.32 N ATOM 679 CA ASN A 45 -8.807 0.182 -1.727 1.00 33.54 C ATOM 680 C ASN A 45 -8.064 0.621 -2.995 1.00 32.40 C ATOM 681 O ASN A 45 -8.692 0.951 -4.007 1.00 42.11 O ATOM 682 CB ASN A 45 -9.968 -0.785 -2.117 1.00 62.20 C ATOM 683 CG ASN A 45 -9.499 -2.017 -2.926 1.00 2.21 C ATOM 684 OD1 ASN A 45 -8.443 -2.593 -2.657 1.00 4.40 O ATOM 685 ND2 ASN A 45 -10.248 -2.392 -3.955 1.00 11.40 N ATOM 0 H ASN A 45 -9.429 2.183 -1.593 1.00 43.32 H new ATOM 0 HA ASN A 45 -8.120 -0.344 -1.064 1.00 33.54 H new ATOM 0 HB2 ASN A 45 -10.468 -1.125 -1.210 1.00 62.20 H new ATOM 0 HB3 ASN A 45 -10.707 -0.236 -2.701 1.00 62.20 H new ATOM 0 HD21 ASN A 45 -9.954 -3.172 -4.543 1.00 11.40 H new ATOM 0 HD22 ASN A 45 -11.118 -1.900 -4.158 1.00 11.40 H new ATOM 692 N VAL A 46 -6.727 0.660 -2.934 1.00 23.21 N ATOM 693 CA VAL A 46 -5.897 0.770 -4.141 1.00 42.32 C ATOM 694 C VAL A 46 -5.613 -0.646 -4.678 1.00 61.44 C ATOM 695 O VAL A 46 -5.291 -1.567 -3.912 1.00 22.00 O ATOM 696 CB VAL A 46 -4.546 1.538 -3.890 1.00 5.41 C ATOM 697 CG1 VAL A 46 -4.803 3.033 -3.593 1.00 5.20 C ATOM 698 CG2 VAL A 46 -3.727 0.876 -2.766 1.00 21.14 C ATOM 0 H VAL A 46 -6.197 0.617 -2.063 1.00 23.21 H new ATOM 0 HA VAL A 46 -6.451 1.357 -4.874 1.00 42.32 H new ATOM 0 HB VAL A 46 -3.955 1.479 -4.804 1.00 5.41 H new ATOM 0 HG11 VAL A 46 -3.853 3.539 -3.424 1.00 5.20 H new ATOM 0 HG12 VAL A 46 -5.311 3.490 -4.442 1.00 5.20 H new ATOM 0 HG13 VAL A 46 -5.427 3.125 -2.704 1.00 5.20 H new ATOM 0 HG21 VAL A 46 -2.800 1.430 -2.617 1.00 21.14 H new ATOM 0 HG22 VAL A 46 -4.306 0.882 -1.842 1.00 21.14 H new ATOM 0 HG23 VAL A 46 -3.495 -0.153 -3.042 1.00 21.14 H new ATOM 708 N THR A 47 -5.777 -0.821 -5.987 1.00 73.01 N ATOM 709 CA THR A 47 -5.498 -2.089 -6.673 1.00 43.44 C ATOM 710 C THR A 47 -4.142 -2.007 -7.416 1.00 65.32 C ATOM 711 O THR A 47 -3.511 -0.949 -7.441 1.00 75.51 O ATOM 712 CB THR A 47 -6.663 -2.426 -7.651 1.00 32.54 C ATOM 713 OG1 THR A 47 -6.797 -1.395 -8.639 1.00 12.41 O ATOM 714 CG2 THR A 47 -8.003 -2.616 -6.910 1.00 33.43 C ATOM 0 H THR A 47 -6.109 -0.085 -6.610 1.00 73.01 H new ATOM 0 HA THR A 47 -5.427 -2.892 -5.939 1.00 43.44 H new ATOM 0 HB THR A 47 -6.414 -3.369 -8.138 1.00 32.54 H new ATOM 0 HG1 THR A 47 -6.286 -0.607 -8.360 1.00 12.41 H new ATOM 0 HG21 THR A 47 -8.787 -2.849 -7.630 1.00 33.43 H new ATOM 0 HG22 THR A 47 -7.911 -3.434 -6.196 1.00 33.43 H new ATOM 0 HG23 THR A 47 -8.259 -1.699 -6.380 1.00 33.43 H new ATOM 722 N ARG A 48 -3.710 -3.124 -8.028 1.00 44.13 N ATOM 723 CA ARG A 48 -2.345 -3.268 -8.596 1.00 34.10 C ATOM 724 C ARG A 48 -2.083 -2.322 -9.788 1.00 73.05 C ATOM 725 O ARG A 48 -0.937 -1.926 -10.030 1.00 4.03 O ATOM 726 CB ARG A 48 -2.109 -4.735 -9.010 1.00 62.33 C ATOM 727 CG ARG A 48 -3.046 -5.230 -10.124 1.00 43.32 C ATOM 728 CD ARG A 48 -3.028 -6.743 -10.274 1.00 52.31 C ATOM 729 NE ARG A 48 -4.010 -7.220 -11.254 1.00 60.02 N ATOM 730 CZ ARG A 48 -4.521 -8.457 -11.279 1.00 75.14 C ATOM 731 NH1 ARG A 48 -4.154 -9.364 -10.366 1.00 61.32 N1+ ATOM 732 NH2 ARG A 48 -5.379 -8.795 -12.236 1.00 4.42 N ATOM 0 H ARG A 48 -4.291 -3.954 -8.146 1.00 44.13 H new ATOM 0 HA ARG A 48 -1.639 -2.982 -7.817 1.00 34.10 H new ATOM 0 HB2 ARG A 48 -1.077 -4.846 -9.342 1.00 62.33 H new ATOM 0 HB3 ARG A 48 -2.233 -5.373 -8.135 1.00 62.33 H new ATOM 0 HG2 ARG A 48 -4.063 -4.902 -9.910 1.00 43.32 H new ATOM 0 HG3 ARG A 48 -2.755 -4.771 -11.069 1.00 43.32 H new ATOM 0 HD2 ARG A 48 -2.031 -7.063 -10.577 1.00 52.31 H new ATOM 0 HD3 ARG A 48 -3.231 -7.204 -9.307 1.00 52.31 H new ATOM 0 HE ARG A 48 -4.326 -6.562 -11.967 1.00 60.02 H new ATOM 0 HH11 ARG A 48 -3.479 -9.115 -9.643 1.00 61.32 H new ATOM 0 HH12 ARG A 48 -4.549 -10.304 -10.393 1.00 61.32 H new ATOM 0 HH21 ARG A 48 -5.645 -8.113 -12.947 1.00 4.42 H new ATOM 0 HH22 ARG A 48 -5.771 -9.736 -12.260 1.00 4.42 H new ATOM 746 N GLU A 49 -3.140 -1.964 -10.531 1.00 22.03 N ATOM 747 CA GLU A 49 -3.037 -1.024 -11.662 1.00 45.22 C ATOM 748 C GLU A 49 -3.684 0.323 -11.307 1.00 23.22 C ATOM 749 O GLU A 49 -4.142 1.056 -12.188 1.00 41.24 O ATOM 750 CB GLU A 49 -3.633 -1.650 -12.954 1.00 62.41 C ATOM 751 CG GLU A 49 -2.874 -2.902 -13.448 1.00 31.43 C ATOM 752 CD GLU A 49 -3.399 -3.453 -14.782 1.00 0.21 C ATOM 753 OE1 GLU A 49 -4.097 -4.487 -14.788 1.00 1.05 O ATOM 754 OE2 GLU A 49 -3.131 -2.839 -15.830 1.00 70.13 O1- ATOM 0 H GLU A 49 -4.084 -2.313 -10.369 1.00 22.03 H new ATOM 0 HA GLU A 49 -1.984 -0.827 -11.863 1.00 45.22 H new ATOM 0 HB2 GLU A 49 -4.674 -1.916 -12.771 1.00 62.41 H new ATOM 0 HB3 GLU A 49 -3.631 -0.900 -13.745 1.00 62.41 H new ATOM 0 HG2 GLU A 49 -1.817 -2.657 -13.556 1.00 31.43 H new ATOM 0 HG3 GLU A 49 -2.944 -3.682 -12.690 1.00 31.43 H new ATOM 761 N THR A 50 -3.688 0.655 -10.003 1.00 30.42 N ATOM 762 CA THR A 50 -3.999 2.010 -9.534 1.00 25.33 C ATOM 763 C THR A 50 -2.746 2.883 -9.657 1.00 63.25 C ATOM 764 O THR A 50 -1.639 2.423 -9.364 1.00 33.52 O ATOM 765 CB THR A 50 -4.512 2.000 -8.060 1.00 55.31 C ATOM 766 OG1 THR A 50 -5.709 1.214 -7.990 1.00 31.21 O ATOM 767 CG2 THR A 50 -4.804 3.415 -7.512 1.00 50.50 C ATOM 0 H THR A 50 -3.477 -0.005 -9.254 1.00 30.42 H new ATOM 0 HA THR A 50 -4.797 2.420 -10.154 1.00 25.33 H new ATOM 0 HB THR A 50 -3.720 1.574 -7.444 1.00 55.31 H new ATOM 0 HG1 THR A 50 -6.350 1.647 -7.388 1.00 31.21 H new ATOM 0 HG21 THR A 50 -5.157 3.341 -6.483 1.00 50.50 H new ATOM 0 HG22 THR A 50 -3.892 4.012 -7.541 1.00 50.50 H new ATOM 0 HG23 THR A 50 -5.569 3.892 -8.125 1.00 50.50 H new ATOM 775 N ASP A 51 -2.935 4.129 -10.106 1.00 54.25 N ATOM 776 CA ASP A 51 -1.841 5.087 -10.327 1.00 54.15 C ATOM 777 C ASP A 51 -1.682 5.991 -9.100 1.00 2.24 C ATOM 778 O ASP A 51 -2.667 6.576 -8.653 1.00 73.44 O ATOM 779 CB ASP A 51 -2.136 5.939 -11.581 1.00 63.35 C ATOM 780 CG ASP A 51 -2.411 5.100 -12.836 1.00 21.41 C ATOM 781 OD1 ASP A 51 -3.589 4.780 -13.102 1.00 73.24 O ATOM 782 OD2 ASP A 51 -1.460 4.765 -13.569 1.00 14.11 O1- ATOM 0 H ASP A 51 -3.857 4.505 -10.328 1.00 54.25 H new ATOM 0 HA ASP A 51 -0.912 4.539 -10.483 1.00 54.15 H new ATOM 0 HB2 ASP A 51 -2.997 6.577 -11.383 1.00 63.35 H new ATOM 0 HB3 ASP A 51 -1.289 6.598 -11.772 1.00 63.35 H new ATOM 787 N PHE A 52 -0.437 6.120 -8.598 1.00 15.33 N ATOM 788 CA PHE A 52 -0.119 6.838 -7.347 1.00 23.21 C ATOM 789 C PHE A 52 -0.559 8.318 -7.392 1.00 74.55 C ATOM 790 O PHE A 52 -1.436 8.736 -6.626 1.00 35.40 O ATOM 791 CB PHE A 52 1.406 6.737 -7.062 1.00 13.50 C ATOM 792 CG PHE A 52 1.851 7.343 -5.733 1.00 55.14 C ATOM 793 CD1 PHE A 52 1.642 6.658 -4.542 1.00 1.13 C ATOM 794 CD2 PHE A 52 2.473 8.588 -5.673 1.00 14.22 C ATOM 795 CE1 PHE A 52 2.049 7.191 -3.342 1.00 74.22 C ATOM 796 CE2 PHE A 52 2.876 9.121 -4.473 1.00 12.12 C ATOM 797 CZ PHE A 52 2.660 8.426 -3.308 1.00 55.42 C ATOM 0 H PHE A 52 0.385 5.724 -9.055 1.00 15.33 H new ATOM 0 HA PHE A 52 -0.679 6.364 -6.541 1.00 23.21 H new ATOM 0 HB2 PHE A 52 1.696 5.686 -7.081 1.00 13.50 H new ATOM 0 HB3 PHE A 52 1.946 7.232 -7.870 1.00 13.50 H new ATOM 0 HD1 PHE A 52 1.154 5.695 -4.559 1.00 1.13 H new ATOM 0 HD2 PHE A 52 2.641 9.143 -6.584 1.00 14.22 H new ATOM 0 HE1 PHE A 52 1.890 6.642 -2.426 1.00 74.22 H new ATOM 0 HE2 PHE A 52 3.362 10.085 -4.445 1.00 12.12 H new ATOM 0 HZ PHE A 52 2.970 8.848 -2.363 1.00 55.42 H new ATOM 807 N PHE A 53 0.047 9.082 -8.316 1.00 45.50 N ATOM 808 CA PHE A 53 -0.140 10.542 -8.416 1.00 72.24 C ATOM 809 C PHE A 53 -1.544 10.888 -8.940 1.00 45.11 C ATOM 810 O PHE A 53 -2.120 11.909 -8.549 1.00 52.24 O ATOM 811 CB PHE A 53 0.951 11.165 -9.332 1.00 3.44 C ATOM 812 CG PHE A 53 2.382 11.042 -8.789 1.00 60.41 C ATOM 813 CD1 PHE A 53 2.963 12.081 -8.054 1.00 22.42 C ATOM 814 CD2 PHE A 53 3.140 9.888 -9.001 1.00 24.44 C ATOM 815 CE1 PHE A 53 4.248 11.968 -7.553 1.00 54.35 C ATOM 816 CE2 PHE A 53 4.426 9.783 -8.497 1.00 64.41 C ATOM 817 CZ PHE A 53 4.977 10.819 -7.773 1.00 3.13 C ATOM 0 H PHE A 53 0.683 8.704 -9.018 1.00 45.50 H new ATOM 0 HA PHE A 53 -0.042 10.964 -7.416 1.00 72.24 H new ATOM 0 HB2 PHE A 53 0.904 10.686 -10.310 1.00 3.44 H new ATOM 0 HB3 PHE A 53 0.722 12.220 -9.483 1.00 3.44 H new ATOM 0 HD1 PHE A 53 2.400 12.985 -7.875 1.00 22.42 H new ATOM 0 HD2 PHE A 53 2.719 9.068 -9.564 1.00 24.44 H new ATOM 0 HE1 PHE A 53 4.680 12.781 -6.989 1.00 54.35 H new ATOM 0 HE2 PHE A 53 5.000 8.885 -8.672 1.00 64.41 H new ATOM 0 HZ PHE A 53 5.979 10.730 -7.379 1.00 3.13 H new ATOM 827 N GLN A 54 -2.084 10.022 -9.815 1.00 1.01 N ATOM 828 CA GLN A 54 -3.431 10.192 -10.393 1.00 74.21 C ATOM 829 C GLN A 54 -4.509 9.986 -9.303 1.00 71.10 C ATOM 830 O GLN A 54 -5.534 10.673 -9.302 1.00 22.35 O ATOM 831 CB GLN A 54 -3.609 9.221 -11.600 1.00 70.42 C ATOM 832 CG GLN A 54 -4.908 9.380 -12.446 1.00 2.40 C ATOM 833 CD GLN A 54 -6.170 8.740 -11.841 1.00 13.42 C ATOM 834 OE1 GLN A 54 -7.281 9.239 -12.021 1.00 42.14 O ATOM 835 NE2 GLN A 54 -6.013 7.618 -11.148 1.00 41.44 N ATOM 0 H GLN A 54 -1.601 9.185 -10.142 1.00 1.01 H new ATOM 0 HA GLN A 54 -3.550 11.208 -10.769 1.00 74.21 H new ATOM 0 HB2 GLN A 54 -2.754 9.345 -12.264 1.00 70.42 H new ATOM 0 HB3 GLN A 54 -3.573 8.199 -11.222 1.00 70.42 H new ATOM 0 HG2 GLN A 54 -5.096 10.443 -12.596 1.00 2.40 H new ATOM 0 HG3 GLN A 54 -4.736 8.945 -13.430 1.00 2.40 H new ATOM 0 HE21 GLN A 54 -5.080 7.227 -11.015 1.00 41.44 H new ATOM 0 HE22 GLN A 54 -6.825 7.147 -10.749 1.00 41.44 H new ATOM 844 N GLN A 55 -4.244 9.044 -8.372 1.00 65.50 N ATOM 845 CA GLN A 55 -5.108 8.791 -7.188 1.00 4.31 C ATOM 846 C GLN A 55 -5.057 9.994 -6.207 1.00 22.01 C ATOM 847 O GLN A 55 -5.954 10.170 -5.376 1.00 34.43 O ATOM 848 CB GLN A 55 -4.650 7.477 -6.481 1.00 23.10 C ATOM 849 CG GLN A 55 -5.487 7.037 -5.259 1.00 62.41 C ATOM 850 CD GLN A 55 -6.914 6.588 -5.604 1.00 45.42 C ATOM 851 OE1 GLN A 55 -7.843 7.391 -5.658 1.00 53.43 O ATOM 852 NE2 GLN A 55 -7.103 5.294 -5.805 1.00 21.41 N ATOM 0 H GLN A 55 -3.427 8.435 -8.416 1.00 65.50 H new ATOM 0 HA GLN A 55 -6.141 8.674 -7.517 1.00 4.31 H new ATOM 0 HB2 GLN A 55 -4.662 6.670 -7.214 1.00 23.10 H new ATOM 0 HB3 GLN A 55 -3.615 7.602 -6.162 1.00 23.10 H new ATOM 0 HG2 GLN A 55 -4.972 6.219 -4.755 1.00 62.41 H new ATOM 0 HG3 GLN A 55 -5.539 7.864 -4.551 1.00 62.41 H new ATOM 0 HE21 GLN A 55 -6.314 4.649 -5.754 1.00 21.41 H new ATOM 0 HE22 GLN A 55 -8.038 4.941 -6.011 1.00 21.41 H new ATOM 861 N GLY A 56 -4.004 10.827 -6.335 1.00 32.24 N ATOM 862 CA GLY A 56 -3.850 12.049 -5.535 1.00 41.52 C ATOM 863 C GLY A 56 -2.561 12.087 -4.721 1.00 33.41 C ATOM 864 O GLY A 56 -2.433 12.899 -3.803 1.00 14.03 O ATOM 0 H GLY A 56 -3.242 10.668 -6.994 1.00 32.24 H new ATOM 0 HA2 GLY A 56 -3.877 12.913 -6.198 1.00 41.52 H new ATOM 0 HA3 GLY A 56 -4.700 12.140 -4.859 1.00 41.52 H new ATOM 868 N GLY A 57 -1.598 11.211 -5.065 1.00 3.33 N ATOM 869 CA GLY A 57 -0.299 11.188 -4.393 1.00 61.32 C ATOM 870 C GLY A 57 0.567 12.380 -4.759 1.00 54.21 C ATOM 871 O GLY A 57 0.725 12.686 -5.940 1.00 41.51 O ATOM 0 H GLY A 57 -1.701 10.515 -5.803 1.00 3.33 H new ATOM 0 HA2 GLY A 57 -0.452 11.172 -3.314 1.00 61.32 H new ATOM 0 HA3 GLY A 57 0.225 10.269 -4.654 1.00 61.32 H new ATOM 875 N ASP A 58 1.132 13.051 -3.746 1.00 1.54 N ATOM 876 CA ASP A 58 1.963 14.253 -3.940 1.00 52.00 C ATOM 877 C ASP A 58 3.448 13.854 -4.000 1.00 42.45 C ATOM 878 O ASP A 58 3.794 12.722 -3.662 1.00 2.52 O ATOM 879 CB ASP A 58 1.683 15.254 -2.787 1.00 33.24 C ATOM 880 CG ASP A 58 2.480 16.565 -2.902 1.00 13.43 C ATOM 881 OD1 ASP A 58 2.229 17.348 -3.838 1.00 33.43 O ATOM 882 OD2 ASP A 58 3.385 16.796 -2.078 1.00 24.25 O1- ATOM 0 H ASP A 58 1.028 12.778 -2.769 1.00 1.54 H new ATOM 0 HA ASP A 58 1.713 14.739 -4.883 1.00 52.00 H new ATOM 0 HB2 ASP A 58 0.618 15.486 -2.769 1.00 33.24 H new ATOM 0 HB3 ASP A 58 1.921 14.776 -1.837 1.00 33.24 H new ATOM 887 N SER A 59 4.301 14.782 -4.455 1.00 60.21 N ATOM 888 CA SER A 59 5.764 14.616 -4.482 1.00 54.11 C ATOM 889 C SER A 59 6.356 14.351 -3.071 1.00 51.42 C ATOM 890 O SER A 59 7.179 13.445 -2.896 1.00 32.40 O ATOM 891 CB SER A 59 6.375 15.883 -5.086 1.00 62.22 C ATOM 892 OG SER A 59 5.953 17.038 -4.370 1.00 1.02 O ATOM 0 H SER A 59 3.991 15.683 -4.820 1.00 60.21 H new ATOM 0 HA SER A 59 6.006 13.742 -5.087 1.00 54.11 H new ATOM 0 HB2 SER A 59 7.463 15.814 -5.065 1.00 62.22 H new ATOM 0 HB3 SER A 59 6.082 15.971 -6.132 1.00 62.22 H new ATOM 0 HG SER A 59 6.356 17.837 -4.771 1.00 1.02 H new ATOM 898 N LEU A 60 5.925 15.158 -2.078 1.00 4.34 N ATOM 899 CA LEU A 60 6.322 15.002 -0.664 1.00 53.11 C ATOM 900 C LEU A 60 5.802 13.666 -0.105 1.00 0.24 C ATOM 901 O LEU A 60 6.525 12.946 0.593 1.00 11.31 O ATOM 902 CB LEU A 60 5.778 16.195 0.168 1.00 71.23 C ATOM 903 CG LEU A 60 5.970 16.116 1.719 1.00 73.24 C ATOM 904 CD1 LEU A 60 7.452 15.955 2.100 1.00 73.34 C ATOM 905 CD2 LEU A 60 5.325 17.328 2.429 1.00 2.34 C ATOM 0 H LEU A 60 5.289 15.939 -2.237 1.00 4.34 H new ATOM 0 HA LEU A 60 7.410 14.996 -0.598 1.00 53.11 H new ATOM 0 HB2 LEU A 60 6.259 17.106 -0.188 1.00 71.23 H new ATOM 0 HB3 LEU A 60 4.712 16.296 -0.038 1.00 71.23 H new ATOM 0 HG LEU A 60 5.452 15.222 2.067 1.00 73.24 H new ATOM 0 HD11 LEU A 60 7.545 15.904 3.185 1.00 73.34 H new ATOM 0 HD12 LEU A 60 7.844 15.039 1.658 1.00 73.34 H new ATOM 0 HD13 LEU A 60 8.018 16.808 1.727 1.00 73.34 H new ATOM 0 HD21 LEU A 60 5.476 17.242 3.505 1.00 2.34 H new ATOM 0 HD22 LEU A 60 5.786 18.248 2.070 1.00 2.34 H new ATOM 0 HD23 LEU A 60 4.257 17.350 2.213 1.00 2.34 H new ATOM 917 N LEU A 61 4.550 13.343 -0.460 1.00 23.13 N ATOM 918 CA LEU A 61 3.891 12.084 -0.073 1.00 75.35 C ATOM 919 C LEU A 61 4.656 10.885 -0.691 1.00 3.34 C ATOM 920 O LEU A 61 4.774 9.826 -0.073 1.00 4.34 O ATOM 921 CB LEU A 61 2.397 12.143 -0.526 1.00 22.23 C ATOM 922 CG LEU A 61 1.373 11.194 0.185 1.00 3.41 C ATOM 923 CD1 LEU A 61 -0.075 11.616 -0.134 1.00 30.44 C ATOM 924 CD2 LEU A 61 1.593 9.717 -0.185 1.00 32.52 C ATOM 0 H LEU A 61 3.961 13.952 -1.028 1.00 23.13 H new ATOM 0 HA LEU A 61 3.909 11.948 1.008 1.00 75.35 H new ATOM 0 HB2 LEU A 61 2.049 13.168 -0.395 1.00 22.23 H new ATOM 0 HB3 LEU A 61 2.364 11.929 -1.594 1.00 22.23 H new ATOM 0 HG LEU A 61 1.543 11.290 1.257 1.00 3.41 H new ATOM 0 HD11 LEU A 61 -0.769 10.944 0.370 1.00 30.44 H new ATOM 0 HD12 LEU A 61 -0.242 12.636 0.213 1.00 30.44 H new ATOM 0 HD13 LEU A 61 -0.239 11.567 -1.210 1.00 30.44 H new ATOM 0 HD21 LEU A 61 0.859 9.099 0.333 1.00 32.52 H new ATOM 0 HD22 LEU A 61 1.479 9.591 -1.262 1.00 32.52 H new ATOM 0 HD23 LEU A 61 2.597 9.413 0.112 1.00 32.52 H new ATOM 936 N ALA A 62 5.215 11.104 -1.889 1.00 33.11 N ATOM 937 CA ALA A 62 5.993 10.097 -2.621 1.00 42.11 C ATOM 938 C ALA A 62 7.349 9.838 -1.948 1.00 72.13 C ATOM 939 O ALA A 62 7.855 8.711 -1.971 1.00 22.43 O ATOM 940 CB ALA A 62 6.174 10.561 -4.066 1.00 71.54 C ATOM 0 H ALA A 62 5.139 11.994 -2.381 1.00 33.11 H new ATOM 0 HA ALA A 62 5.450 9.152 -2.611 1.00 42.11 H new ATOM 0 HB1 ALA A 62 6.751 9.818 -4.617 1.00 71.54 H new ATOM 0 HB2 ALA A 62 5.197 10.682 -4.534 1.00 71.54 H new ATOM 0 HB3 ALA A 62 6.703 11.514 -4.079 1.00 71.54 H new ATOM 946 N THR A 63 7.914 10.899 -1.337 1.00 51.40 N ATOM 947 CA THR A 63 9.165 10.824 -0.563 1.00 42.43 C ATOM 948 C THR A 63 8.936 10.006 0.732 1.00 34.11 C ATOM 949 O THR A 63 9.802 9.231 1.160 1.00 41.22 O ATOM 950 CB THR A 63 9.681 12.268 -0.214 1.00 51.23 C ATOM 951 OG1 THR A 63 9.636 13.104 -1.380 1.00 2.45 O ATOM 952 CG2 THR A 63 11.120 12.262 0.327 1.00 61.44 C ATOM 0 H THR A 63 7.511 11.836 -1.368 1.00 51.40 H new ATOM 0 HA THR A 63 9.923 10.324 -1.166 1.00 42.43 H new ATOM 0 HB THR A 63 9.023 12.655 0.564 1.00 51.23 H new ATOM 0 HG1 THR A 63 8.705 13.222 -1.662 1.00 2.45 H new ATOM 0 HG21 THR A 63 11.428 13.283 0.552 1.00 61.44 H new ATOM 0 HG22 THR A 63 11.165 11.661 1.235 1.00 61.44 H new ATOM 0 HG23 THR A 63 11.789 11.838 -0.422 1.00 61.44 H new ATOM 960 N ARG A 64 7.734 10.179 1.319 1.00 32.53 N ATOM 961 CA ARG A 64 7.297 9.424 2.500 1.00 54.11 C ATOM 962 C ARG A 64 7.058 7.955 2.140 1.00 75.34 C ATOM 963 O ARG A 64 7.453 7.073 2.885 1.00 4.55 O ATOM 964 CB ARG A 64 6.001 10.034 3.095 1.00 3.03 C ATOM 965 CG ARG A 64 6.146 11.494 3.532 1.00 44.35 C ATOM 966 CD ARG A 64 4.912 12.045 4.256 1.00 12.02 C ATOM 967 NE ARG A 64 5.177 13.406 4.743 1.00 13.42 N ATOM 968 CZ ARG A 64 5.796 13.710 5.896 1.00 34.45 C ATOM 969 NH1 ARG A 64 6.230 12.757 6.726 1.00 52.03 N1+ ATOM 970 NH2 ARG A 64 6.022 14.976 6.197 1.00 4.03 N ATOM 0 H ARG A 64 7.042 10.848 0.983 1.00 32.53 H new ATOM 0 HA ARG A 64 8.088 9.483 3.248 1.00 54.11 H new ATOM 0 HB2 ARG A 64 5.205 9.964 2.354 1.00 3.03 H new ATOM 0 HB3 ARG A 64 5.691 9.437 3.953 1.00 3.03 H new ATOM 0 HG2 ARG A 64 7.012 11.584 4.188 1.00 44.35 H new ATOM 0 HG3 ARG A 64 6.346 12.109 2.654 1.00 44.35 H new ATOM 0 HD2 ARG A 64 4.057 12.053 3.580 1.00 12.02 H new ATOM 0 HD3 ARG A 64 4.651 11.396 5.092 1.00 12.02 H new ATOM 0 HE ARG A 64 4.866 14.182 4.159 1.00 13.42 H new ATOM 0 HH11 ARG A 64 6.094 11.774 6.490 1.00 52.03 H new ATOM 0 HH12 ARG A 64 6.697 13.012 7.596 1.00 52.03 H new ATOM 0 HH21 ARG A 64 5.727 15.713 5.556 1.00 4.03 H new ATOM 0 HH22 ARG A 64 6.491 15.217 7.070 1.00 4.03 H new ATOM 984 N LEU A 65 6.438 7.724 0.965 1.00 23.21 N ATOM 985 CA LEU A 65 6.040 6.385 0.500 1.00 72.34 C ATOM 986 C LEU A 65 7.289 5.498 0.311 1.00 54.43 C ATOM 987 O LEU A 65 7.349 4.368 0.820 1.00 25.32 O ATOM 988 CB LEU A 65 5.209 6.518 -0.822 1.00 22.14 C ATOM 989 CG LEU A 65 4.341 5.281 -1.256 1.00 24.14 C ATOM 990 CD1 LEU A 65 5.177 4.137 -1.877 1.00 70.21 C ATOM 991 CD2 LEU A 65 3.481 4.787 -0.069 1.00 24.43 C ATOM 0 H LEU A 65 6.199 8.468 0.310 1.00 23.21 H new ATOM 0 HA LEU A 65 5.409 5.903 1.247 1.00 72.34 H new ATOM 0 HB2 LEU A 65 4.545 7.376 -0.718 1.00 22.14 H new ATOM 0 HB3 LEU A 65 5.900 6.746 -1.633 1.00 22.14 H new ATOM 0 HG LEU A 65 3.676 5.618 -2.051 1.00 24.14 H new ATOM 0 HD11 LEU A 65 4.518 3.314 -2.155 1.00 70.21 H new ATOM 0 HD12 LEU A 65 5.693 4.504 -2.764 1.00 70.21 H new ATOM 0 HD13 LEU A 65 5.909 3.786 -1.150 1.00 70.21 H new ATOM 0 HD21 LEU A 65 2.885 3.930 -0.383 1.00 24.43 H new ATOM 0 HD22 LEU A 65 4.132 4.494 0.755 1.00 24.43 H new ATOM 0 HD23 LEU A 65 2.819 5.589 0.259 1.00 24.43 H new ATOM 1003 N THR A 66 8.278 6.049 -0.411 1.00 13.30 N ATOM 1004 CA THR A 66 9.572 5.396 -0.638 1.00 12.21 C ATOM 1005 C THR A 66 10.319 5.177 0.694 1.00 63.33 C ATOM 1006 O THR A 66 10.935 4.128 0.909 1.00 13.30 O ATOM 1007 CB THR A 66 10.448 6.235 -1.624 1.00 64.34 C ATOM 1008 OG1 THR A 66 10.563 7.586 -1.152 1.00 64.20 O ATOM 1009 CG2 THR A 66 9.862 6.238 -3.046 1.00 73.01 C ATOM 0 H THR A 66 8.199 6.964 -0.855 1.00 13.30 H new ATOM 0 HA THR A 66 9.383 4.421 -1.088 1.00 12.21 H new ATOM 0 HB THR A 66 11.433 5.770 -1.664 1.00 64.34 H new ATOM 0 HG1 THR A 66 9.752 8.084 -1.385 1.00 64.20 H new ATOM 0 HG21 THR A 66 10.500 6.832 -3.701 1.00 73.01 H new ATOM 0 HG22 THR A 66 9.809 5.216 -3.420 1.00 73.01 H new ATOM 0 HG23 THR A 66 8.861 6.669 -3.026 1.00 73.01 H new ATOM 1017 N GLY A 67 10.215 6.182 1.581 1.00 33.30 N ATOM 1018 CA GLY A 67 10.789 6.134 2.930 1.00 10.21 C ATOM 1019 C GLY A 67 10.228 5.010 3.799 1.00 3.13 C ATOM 1020 O GLY A 67 10.992 4.316 4.474 1.00 60.41 O ATOM 0 H GLY A 67 9.727 7.054 1.377 1.00 33.30 H new ATOM 0 HA2 GLY A 67 11.870 6.015 2.851 1.00 10.21 H new ATOM 0 HA3 GLY A 67 10.609 7.088 3.425 1.00 10.21 H new ATOM 1024 N GLN A 68 8.893 4.814 3.738 1.00 64.34 N ATOM 1025 CA GLN A 68 8.184 3.765 4.505 1.00 53.45 C ATOM 1026 C GLN A 68 8.649 2.368 4.056 1.00 62.14 C ATOM 1027 O GLN A 68 8.796 1.444 4.875 1.00 45.22 O ATOM 1028 CB GLN A 68 6.644 3.891 4.320 1.00 60.11 C ATOM 1029 CG GLN A 68 6.014 5.187 4.874 1.00 51.01 C ATOM 1030 CD GLN A 68 6.108 5.330 6.398 1.00 4.24 C ATOM 1031 OE1 GLN A 68 6.095 4.345 7.138 1.00 22.22 O ATOM 1032 NE2 GLN A 68 6.189 6.558 6.877 1.00 65.31 N ATOM 0 H GLN A 68 8.275 5.379 3.155 1.00 64.34 H new ATOM 0 HA GLN A 68 8.421 3.899 5.560 1.00 53.45 H new ATOM 0 HB2 GLN A 68 6.416 3.822 3.256 1.00 60.11 H new ATOM 0 HB3 GLN A 68 6.166 3.039 4.804 1.00 60.11 H new ATOM 0 HG2 GLN A 68 6.503 6.043 4.409 1.00 51.01 H new ATOM 0 HG3 GLN A 68 4.965 5.222 4.581 1.00 51.01 H new ATOM 0 HE21 GLN A 68 6.198 7.354 6.240 1.00 65.31 H new ATOM 0 HE22 GLN A 68 6.243 6.710 7.884 1.00 65.31 H new ATOM 1041 N LEU A 69 8.889 2.244 2.736 1.00 1.33 N ATOM 1042 CA LEU A 69 9.426 1.027 2.116 1.00 1.03 C ATOM 1043 C LEU A 69 10.844 0.739 2.636 1.00 4.23 C ATOM 1044 O LEU A 69 11.151 -0.401 2.956 1.00 74.44 O ATOM 1045 CB LEU A 69 9.409 1.176 0.572 1.00 24.03 C ATOM 1046 CG LEU A 69 7.992 1.167 -0.087 1.00 51.33 C ATOM 1047 CD1 LEU A 69 8.051 1.681 -1.537 1.00 34.13 C ATOM 1048 CD2 LEU A 69 7.361 -0.242 -0.011 1.00 45.31 C ATOM 0 H LEU A 69 8.713 2.995 2.068 1.00 1.33 H new ATOM 0 HA LEU A 69 8.798 0.178 2.386 1.00 1.03 H new ATOM 0 HB2 LEU A 69 9.908 2.109 0.309 1.00 24.03 H new ATOM 0 HB3 LEU A 69 9.997 0.367 0.139 1.00 24.03 H new ATOM 0 HG LEU A 69 7.352 1.848 0.474 1.00 51.33 H new ATOM 0 HD11 LEU A 69 7.051 1.664 -1.970 1.00 34.13 H new ATOM 0 HD12 LEU A 69 8.433 2.702 -1.546 1.00 34.13 H new ATOM 0 HD13 LEU A 69 8.711 1.042 -2.123 1.00 34.13 H new ATOM 0 HD21 LEU A 69 6.375 -0.225 -0.476 1.00 45.31 H new ATOM 0 HD22 LEU A 69 7.997 -0.954 -0.536 1.00 45.31 H new ATOM 0 HD23 LEU A 69 7.265 -0.542 1.033 1.00 45.31 H new ATOM 1060 N HIS A 70 11.676 1.796 2.766 1.00 74.05 N ATOM 1061 CA HIS A 70 13.062 1.680 3.291 1.00 35.14 C ATOM 1062 C HIS A 70 13.088 1.139 4.730 1.00 54.13 C ATOM 1063 O HIS A 70 13.986 0.373 5.104 1.00 71.21 O ATOM 1064 CB HIS A 70 13.797 3.043 3.238 1.00 55.13 C ATOM 1065 CG HIS A 70 14.131 3.500 1.849 1.00 1.41 C ATOM 1066 ND1 HIS A 70 13.616 4.634 1.273 1.00 15.33 N ATOM 1067 CD2 HIS A 70 14.974 2.976 0.938 1.00 4.13 C ATOM 1068 CE1 HIS A 70 14.118 4.777 0.071 1.00 34.32 C ATOM 1069 NE2 HIS A 70 14.952 3.789 -0.159 1.00 61.42 N ATOM 0 H HIS A 70 11.412 2.748 2.513 1.00 74.05 H new ATOM 0 HA HIS A 70 13.580 0.969 2.647 1.00 35.14 H new ATOM 0 HB2 HIS A 70 13.176 3.799 3.719 1.00 55.13 H new ATOM 0 HB3 HIS A 70 14.717 2.971 3.817 1.00 55.13 H new ATOM 0 HD2 HIS A 70 15.560 2.077 1.054 1.00 4.13 H new ATOM 0 HE1 HIS A 70 13.884 5.576 -0.617 1.00 34.32 H new ATOM 0 HE2 HIS A 70 15.492 3.652 -1.013 1.00 61.42 H new ATOM 1078 N GLN A 71 12.084 1.543 5.514 1.00 51.42 N ATOM 1079 CA GLN A 71 11.906 1.081 6.902 1.00 45.22 C ATOM 1080 C GLN A 71 11.415 -0.382 6.926 1.00 10.23 C ATOM 1081 O GLN A 71 11.679 -1.119 7.876 1.00 1.43 O ATOM 1082 CB GLN A 71 10.914 2.013 7.635 1.00 34.14 C ATOM 1083 CG GLN A 71 11.321 3.505 7.605 1.00 42.30 C ATOM 1084 CD GLN A 71 10.362 4.417 8.371 1.00 63.32 C ATOM 1085 OE1 GLN A 71 9.160 4.152 8.460 1.00 55.01 O ATOM 1086 NE2 GLN A 71 10.882 5.502 8.925 1.00 73.24 N ATOM 0 H GLN A 71 11.368 2.201 5.207 1.00 51.42 H new ATOM 0 HA GLN A 71 12.865 1.117 7.419 1.00 45.22 H new ATOM 0 HB2 GLN A 71 9.928 1.906 7.183 1.00 34.14 H new ATOM 0 HB3 GLN A 71 10.826 1.691 8.673 1.00 34.14 H new ATOM 0 HG2 GLN A 71 12.321 3.609 8.026 1.00 42.30 H new ATOM 0 HG3 GLN A 71 11.375 3.837 6.568 1.00 42.30 H new ATOM 0 HE21 GLN A 71 11.880 5.693 8.834 1.00 73.24 H new ATOM 0 HE22 GLN A 71 10.285 6.146 9.443 1.00 73.24 H new ATOM 1095 N ALA A 72 10.696 -0.782 5.859 1.00 23.20 N ATOM 1096 CA ALA A 72 10.266 -2.182 5.636 1.00 10.14 C ATOM 1097 C ALA A 72 11.372 -3.019 4.938 1.00 11.15 C ATOM 1098 O ALA A 72 11.148 -4.191 4.598 1.00 32.53 O ATOM 1099 CB ALA A 72 8.959 -2.201 4.820 1.00 20.04 C ATOM 0 H ALA A 72 10.395 -0.143 5.123 1.00 23.20 H new ATOM 0 HA ALA A 72 10.085 -2.643 6.607 1.00 10.14 H new ATOM 0 HB1 ALA A 72 8.646 -3.232 4.658 1.00 20.04 H new ATOM 0 HB2 ALA A 72 8.181 -1.667 5.366 1.00 20.04 H new ATOM 0 HB3 ALA A 72 9.124 -1.717 3.858 1.00 20.04 H new ATOM 1105 N GLY A 73 12.558 -2.402 4.740 1.00 2.24 N ATOM 1106 CA GLY A 73 13.725 -3.087 4.169 1.00 61.24 C ATOM 1107 C GLY A 73 13.670 -3.206 2.653 1.00 11.31 C ATOM 1108 O GLY A 73 14.170 -4.185 2.084 1.00 43.42 O ATOM 0 H GLY A 73 12.726 -1.423 4.971 1.00 2.24 H new ATOM 0 HA2 GLY A 73 14.629 -2.547 4.452 1.00 61.24 H new ATOM 0 HA3 GLY A 73 13.800 -4.084 4.602 1.00 61.24 H new ATOM 1112 N TYR A 74 13.026 -2.226 2.001 1.00 21.33 N ATOM 1113 CA TYR A 74 12.888 -2.165 0.533 1.00 62.10 C ATOM 1114 C TYR A 74 13.486 -0.859 -0.001 1.00 51.04 C ATOM 1115 O TYR A 74 13.110 0.226 0.456 1.00 43.51 O ATOM 1116 CB TYR A 74 11.393 -2.286 0.109 1.00 12.33 C ATOM 1117 CG TYR A 74 10.684 -3.526 0.670 1.00 53.31 C ATOM 1118 CD1 TYR A 74 11.219 -4.805 0.485 1.00 12.54 C ATOM 1119 CD2 TYR A 74 9.491 -3.422 1.383 1.00 53.10 C ATOM 1120 CE1 TYR A 74 10.592 -5.923 0.998 1.00 52.55 C ATOM 1121 CE2 TYR A 74 8.862 -4.542 1.894 1.00 32.41 C ATOM 1122 CZ TYR A 74 9.414 -5.787 1.696 1.00 71.23 C ATOM 1123 OH TYR A 74 8.786 -6.906 2.201 1.00 34.40 O ATOM 0 H TYR A 74 12.581 -1.444 2.481 1.00 21.33 H new ATOM 0 HA TYR A 74 13.433 -3.006 0.104 1.00 62.10 H new ATOM 0 HB2 TYR A 74 10.859 -1.395 0.438 1.00 12.33 H new ATOM 0 HB3 TYR A 74 11.335 -2.308 -0.979 1.00 12.33 H new ATOM 0 HD1 TYR A 74 12.139 -4.920 -0.069 1.00 12.54 H new ATOM 0 HD2 TYR A 74 9.050 -2.449 1.539 1.00 53.10 H new ATOM 0 HE1 TYR A 74 11.025 -6.902 0.852 1.00 52.55 H new ATOM 0 HE2 TYR A 74 7.940 -4.440 2.447 1.00 32.41 H new ATOM 0 HH TYR A 74 7.967 -6.639 2.668 1.00 34.40 H new ATOM 1133 N GLU A 75 14.409 -0.959 -0.973 1.00 30.25 N ATOM 1134 CA GLU A 75 15.038 0.213 -1.588 1.00 41.40 C ATOM 1135 C GLU A 75 14.075 0.759 -2.664 1.00 12.03 C ATOM 1136 O GLU A 75 13.600 0.008 -3.532 1.00 11.22 O ATOM 1137 CB GLU A 75 16.447 -0.158 -2.153 1.00 4.53 C ATOM 1138 CG GLU A 75 17.469 1.006 -2.273 1.00 64.50 C ATOM 1139 CD GLU A 75 16.997 2.206 -3.116 1.00 52.24 C ATOM 1140 OE1 GLU A 75 16.938 2.095 -4.360 1.00 24.20 O ATOM 1141 OE2 GLU A 75 16.676 3.263 -2.534 1.00 40.51 O1- ATOM 0 H GLU A 75 14.735 -1.849 -1.349 1.00 30.25 H new ATOM 0 HA GLU A 75 15.212 0.999 -0.853 1.00 41.40 H new ATOM 0 HB2 GLU A 75 16.879 -0.928 -1.515 1.00 4.53 H new ATOM 0 HB3 GLU A 75 16.314 -0.600 -3.141 1.00 4.53 H new ATOM 0 HG2 GLU A 75 17.713 1.359 -1.271 1.00 64.50 H new ATOM 0 HG3 GLU A 75 18.390 0.617 -2.707 1.00 64.50 H new ATOM 1148 N ALA A 76 13.797 2.062 -2.574 1.00 70.33 N ATOM 1149 CA ALA A 76 12.752 2.728 -3.347 1.00 75.30 C ATOM 1150 C ALA A 76 13.203 4.135 -3.741 1.00 43.33 C ATOM 1151 O ALA A 76 13.802 4.848 -2.933 1.00 71.03 O ATOM 1152 CB ALA A 76 11.462 2.773 -2.521 1.00 20.55 C ATOM 0 H ALA A 76 14.302 2.692 -1.951 1.00 70.33 H new ATOM 0 HA ALA A 76 12.561 2.170 -4.264 1.00 75.30 H new ATOM 0 HB1 ALA A 76 10.680 3.270 -3.095 1.00 20.55 H new ATOM 0 HB2 ALA A 76 11.147 1.757 -2.282 1.00 20.55 H new ATOM 0 HB3 ALA A 76 11.640 3.324 -1.598 1.00 20.55 H new ATOM 1158 N GLN A 77 12.925 4.519 -4.991 1.00 34.23 N ATOM 1159 CA GLN A 77 13.220 5.868 -5.504 1.00 51.31 C ATOM 1160 C GLN A 77 11.933 6.541 -5.991 1.00 12.24 C ATOM 1161 O GLN A 77 11.049 5.878 -6.552 1.00 53.11 O ATOM 1162 CB GLN A 77 14.265 5.805 -6.652 1.00 13.23 C ATOM 1163 CG GLN A 77 15.646 5.252 -6.238 1.00 44.22 C ATOM 1164 CD GLN A 77 16.359 6.090 -5.172 1.00 14.22 C ATOM 1165 OE1 GLN A 77 16.202 7.315 -5.085 1.00 54.35 O ATOM 1166 NE2 GLN A 77 17.135 5.438 -4.341 1.00 65.53 N ATOM 0 H GLN A 77 12.489 3.905 -5.679 1.00 34.23 H new ATOM 0 HA GLN A 77 13.642 6.460 -4.692 1.00 51.31 H new ATOM 0 HB2 GLN A 77 13.866 5.184 -7.454 1.00 13.23 H new ATOM 0 HB3 GLN A 77 14.397 6.807 -7.060 1.00 13.23 H new ATOM 0 HG2 GLN A 77 15.522 4.236 -5.863 1.00 44.22 H new ATOM 0 HG3 GLN A 77 16.281 5.190 -7.122 1.00 44.22 H new ATOM 0 HE21 GLN A 77 17.248 4.429 -4.434 1.00 65.53 H new ATOM 0 HE22 GLN A 77 17.626 5.940 -3.601 1.00 65.53 H new ATOM 1175 N LEU A 78 11.852 7.863 -5.766 1.00 44.24 N ATOM 1176 CA LEU A 78 10.728 8.705 -6.216 1.00 21.22 C ATOM 1177 C LEU A 78 10.725 8.760 -7.758 1.00 43.43 C ATOM 1178 O LEU A 78 9.662 8.846 -8.380 1.00 41.43 O ATOM 1179 CB LEU A 78 10.853 10.123 -5.567 1.00 14.23 C ATOM 1180 CG LEU A 78 9.540 10.972 -5.397 1.00 15.05 C ATOM 1181 CD1 LEU A 78 9.791 12.195 -4.495 1.00 34.43 C ATOM 1182 CD2 LEU A 78 8.922 11.426 -6.738 1.00 45.24 C ATOM 0 H LEU A 78 12.571 8.383 -5.262 1.00 44.24 H new ATOM 0 HA LEU A 78 9.774 8.284 -5.899 1.00 21.22 H new ATOM 0 HB2 LEU A 78 11.303 10.001 -4.582 1.00 14.23 H new ATOM 0 HB3 LEU A 78 11.552 10.705 -6.167 1.00 14.23 H new ATOM 0 HG LEU A 78 8.816 10.308 -4.924 1.00 15.05 H new ATOM 0 HD11 LEU A 78 8.869 12.767 -4.392 1.00 34.43 H new ATOM 0 HD12 LEU A 78 10.122 11.860 -3.512 1.00 34.43 H new ATOM 0 HD13 LEU A 78 10.560 12.825 -4.942 1.00 34.43 H new ATOM 0 HD21 LEU A 78 8.020 12.006 -6.545 1.00 45.24 H new ATOM 0 HD22 LEU A 78 9.640 12.041 -7.280 1.00 45.24 H new ATOM 0 HD23 LEU A 78 8.669 10.551 -7.337 1.00 45.24 H new ATOM 1194 N SER A 79 11.937 8.663 -8.348 1.00 25.13 N ATOM 1195 CA SER A 79 12.138 8.596 -9.802 1.00 0.45 C ATOM 1196 C SER A 79 11.298 7.471 -10.430 1.00 13.22 C ATOM 1197 O SER A 79 10.700 7.644 -11.493 1.00 11.33 O ATOM 1198 CB SER A 79 13.632 8.389 -10.119 1.00 20.11 C ATOM 1199 OG SER A 79 14.442 9.354 -9.456 1.00 63.51 O ATOM 0 H SER A 79 12.808 8.629 -7.818 1.00 25.13 H new ATOM 0 HA SER A 79 11.808 9.541 -10.235 1.00 0.45 H new ATOM 0 HB2 SER A 79 13.935 7.387 -9.815 1.00 20.11 H new ATOM 0 HB3 SER A 79 13.790 8.457 -11.195 1.00 20.11 H new ATOM 0 HG SER A 79 15.384 9.196 -9.675 1.00 63.51 H new ATOM 1205 N ASP A 80 11.228 6.342 -9.709 1.00 1.33 N ATOM 1206 CA ASP A 80 10.504 5.141 -10.138 1.00 30.24 C ATOM 1207 C ASP A 80 8.999 5.258 -9.865 1.00 73.44 C ATOM 1208 O ASP A 80 8.231 4.501 -10.432 1.00 53.41 O ATOM 1209 CB ASP A 80 11.087 3.885 -9.423 1.00 53.05 C ATOM 1210 CG ASP A 80 12.537 3.571 -9.820 1.00 53.20 C ATOM 1211 OD1 ASP A 80 13.390 4.470 -9.687 1.00 52.33 O ATOM 1212 OD2 ASP A 80 12.831 2.437 -10.265 1.00 10.01 O1- ATOM 0 H ASP A 80 11.679 6.238 -8.800 1.00 1.33 H new ATOM 0 HA ASP A 80 10.635 5.038 -11.215 1.00 30.24 H new ATOM 0 HB2 ASP A 80 11.039 4.036 -8.345 1.00 53.05 H new ATOM 0 HB3 ASP A 80 10.461 3.023 -9.653 1.00 53.05 H new ATOM 1217 N LEU A 81 8.586 6.194 -8.993 1.00 74.15 N ATOM 1218 CA LEU A 81 7.154 6.395 -8.663 1.00 5.11 C ATOM 1219 C LEU A 81 6.409 7.100 -9.810 1.00 21.15 C ATOM 1220 O LEU A 81 5.310 6.674 -10.189 1.00 13.13 O ATOM 1221 CB LEU A 81 6.976 7.154 -7.300 1.00 54.12 C ATOM 1222 CG LEU A 81 6.491 6.269 -6.109 1.00 51.30 C ATOM 1223 CD1 LEU A 81 6.439 7.064 -4.801 1.00 0.24 C ATOM 1224 CD2 LEU A 81 5.120 5.620 -6.417 1.00 3.20 C ATOM 0 H LEU A 81 9.219 6.825 -8.502 1.00 74.15 H new ATOM 0 HA LEU A 81 6.704 5.410 -8.541 1.00 5.11 H new ATOM 0 HB2 LEU A 81 7.928 7.611 -7.029 1.00 54.12 H new ATOM 0 HB3 LEU A 81 6.262 7.965 -7.444 1.00 54.12 H new ATOM 0 HG LEU A 81 7.221 5.470 -5.980 1.00 51.30 H new ATOM 0 HD11 LEU A 81 6.097 6.415 -3.994 1.00 0.24 H new ATOM 0 HD12 LEU A 81 7.434 7.442 -4.565 1.00 0.24 H new ATOM 0 HD13 LEU A 81 5.749 7.901 -4.911 1.00 0.24 H new ATOM 0 HD21 LEU A 81 4.808 5.010 -5.570 1.00 3.20 H new ATOM 0 HD22 LEU A 81 4.380 6.400 -6.594 1.00 3.20 H new ATOM 0 HD23 LEU A 81 5.206 4.993 -7.304 1.00 3.20 H new ATOM 1236 N PHE A 82 6.985 8.194 -10.350 1.00 24.12 N ATOM 1237 CA PHE A 82 6.366 8.907 -11.489 1.00 60.00 C ATOM 1238 C PHE A 82 6.636 8.173 -12.815 1.00 71.45 C ATOM 1239 O PHE A 82 5.867 8.329 -13.768 1.00 4.01 O ATOM 1240 CB PHE A 82 6.782 10.411 -11.544 1.00 43.43 C ATOM 1241 CG PHE A 82 8.279 10.722 -11.693 1.00 12.01 C ATOM 1242 CD1 PHE A 82 9.026 11.189 -10.611 1.00 13.30 C ATOM 1243 CD2 PHE A 82 8.929 10.581 -12.922 1.00 61.11 C ATOM 1244 CE1 PHE A 82 10.365 11.500 -10.755 1.00 43.04 C ATOM 1245 CE2 PHE A 82 10.270 10.886 -13.058 1.00 71.25 C ATOM 1246 CZ PHE A 82 10.984 11.346 -11.976 1.00 71.24 C ATOM 0 H PHE A 82 7.863 8.598 -10.023 1.00 24.12 H new ATOM 0 HA PHE A 82 5.288 8.901 -11.330 1.00 60.00 H new ATOM 0 HB2 PHE A 82 6.256 10.876 -12.378 1.00 43.43 H new ATOM 0 HB3 PHE A 82 6.426 10.893 -10.634 1.00 43.43 H new ATOM 0 HD1 PHE A 82 8.552 11.309 -9.648 1.00 13.30 H new ATOM 0 HD2 PHE A 82 8.375 10.228 -13.779 1.00 61.11 H new ATOM 0 HE1 PHE A 82 10.927 11.865 -9.908 1.00 43.04 H new ATOM 0 HE2 PHE A 82 10.757 10.763 -14.014 1.00 71.25 H new ATOM 0 HZ PHE A 82 12.031 11.587 -12.084 1.00 71.24 H new ATOM 1256 N ASN A 83 7.732 7.381 -12.867 1.00 71.43 N ATOM 1257 CA ASN A 83 8.074 6.560 -14.053 1.00 50.35 C ATOM 1258 C ASN A 83 7.224 5.268 -14.091 1.00 43.32 C ATOM 1259 O ASN A 83 6.857 4.783 -15.167 1.00 2.43 O ATOM 1260 CB ASN A 83 9.594 6.220 -14.048 1.00 25.24 C ATOM 1261 CG ASN A 83 10.078 5.455 -15.293 1.00 54.41 C ATOM 1262 OD1 ASN A 83 9.575 5.649 -16.403 1.00 3.24 O ATOM 1263 ND2 ASN A 83 11.067 4.591 -15.126 1.00 11.23 N ATOM 0 H ASN A 83 8.397 7.293 -12.099 1.00 71.43 H new ATOM 0 HA ASN A 83 7.848 7.136 -14.951 1.00 50.35 H new ATOM 0 HB2 ASN A 83 10.161 7.147 -13.963 1.00 25.24 H new ATOM 0 HB3 ASN A 83 9.818 5.626 -13.162 1.00 25.24 H new ATOM 0 HD21 ASN A 83 11.429 4.069 -15.924 1.00 11.23 H new ATOM 0 HD22 ASN A 83 11.467 4.447 -14.199 1.00 11.23 H new ATOM 1270 N HIS A 84 6.889 4.746 -12.901 1.00 15.15 N ATOM 1271 CA HIS A 84 6.046 3.545 -12.737 1.00 42.10 C ATOM 1272 C HIS A 84 4.848 3.917 -11.849 1.00 13.12 C ATOM 1273 O HIS A 84 4.916 3.770 -10.619 1.00 54.15 O ATOM 1274 CB HIS A 84 6.846 2.362 -12.125 1.00 72.20 C ATOM 1275 CG HIS A 84 8.045 1.949 -12.934 1.00 43.14 C ATOM 1276 ND1 HIS A 84 7.964 1.086 -14.007 1.00 55.03 N ATOM 1277 CD2 HIS A 84 9.349 2.316 -12.852 1.00 43.43 C ATOM 1278 CE1 HIS A 84 9.159 0.938 -14.540 1.00 31.22 C ATOM 1279 NE2 HIS A 84 10.016 1.673 -13.859 1.00 32.13 N ATOM 0 H HIS A 84 7.197 5.147 -12.015 1.00 15.15 H new ATOM 0 HA HIS A 84 5.698 3.211 -13.714 1.00 42.10 H new ATOM 0 HB2 HIS A 84 7.175 2.639 -11.123 1.00 72.20 H new ATOM 0 HB3 HIS A 84 6.181 1.505 -12.017 1.00 72.20 H new ATOM 0 HD2 HIS A 84 9.780 2.990 -12.127 1.00 43.43 H new ATOM 0 HE1 HIS A 84 9.397 0.319 -15.392 1.00 31.22 H new ATOM 0 HE2 HIS A 84 11.015 1.750 -14.052 1.00 32.13 H new ATOM 1288 N PRO A 85 3.744 4.467 -12.456 1.00 12.11 N ATOM 1289 CA PRO A 85 2.591 4.989 -11.692 1.00 14.33 C ATOM 1290 C PRO A 85 1.794 3.882 -10.986 1.00 63.32 C ATOM 1291 O PRO A 85 1.244 4.104 -9.909 1.00 54.33 O ATOM 1292 CB PRO A 85 1.727 5.709 -12.766 1.00 72.15 C ATOM 1293 CG PRO A 85 2.596 5.806 -13.992 1.00 11.34 C ATOM 1294 CD PRO A 85 3.535 4.629 -13.919 1.00 63.43 C ATOM 0 HA PRO A 85 2.909 5.649 -10.885 1.00 14.33 H new ATOM 0 HB2 PRO A 85 0.816 5.148 -12.975 1.00 72.15 H new ATOM 0 HB3 PRO A 85 1.421 6.698 -12.424 1.00 72.15 H new ATOM 0 HG2 PRO A 85 1.996 5.772 -14.901 1.00 11.34 H new ATOM 0 HG3 PRO A 85 3.147 6.746 -14.008 1.00 11.34 H new ATOM 0 HD2 PRO A 85 3.100 3.736 -14.367 1.00 63.43 H new ATOM 0 HD3 PRO A 85 4.471 4.825 -14.442 1.00 63.43 H new ATOM 1302 N ARG A 86 1.746 2.691 -11.613 1.00 35.33 N ATOM 1303 CA ARG A 86 0.948 1.557 -11.110 1.00 52.33 C ATOM 1304 C ARG A 86 1.593 0.953 -9.852 1.00 60.22 C ATOM 1305 O ARG A 86 2.814 1.001 -9.687 1.00 45.42 O ATOM 1306 CB ARG A 86 0.770 0.449 -12.185 1.00 5.20 C ATOM 1307 CG ARG A 86 -0.187 0.773 -13.349 1.00 44.40 C ATOM 1308 CD ARG A 86 0.295 1.918 -14.256 1.00 74.33 C ATOM 1309 NE ARG A 86 1.650 1.671 -14.815 1.00 11.24 N ATOM 1310 CZ ARG A 86 1.974 1.715 -16.119 1.00 15.32 C ATOM 1311 NH1 ARG A 86 1.060 1.990 -17.050 1.00 11.03 N1+ ATOM 1312 NH2 ARG A 86 3.231 1.510 -16.497 1.00 51.52 N ATOM 0 H ARG A 86 2.254 2.489 -12.474 1.00 35.33 H new ATOM 0 HA ARG A 86 -0.038 1.950 -10.860 1.00 52.33 H new ATOM 0 HB2 ARG A 86 1.750 0.217 -12.602 1.00 5.20 H new ATOM 0 HB3 ARG A 86 0.413 -0.454 -11.690 1.00 5.20 H new ATOM 0 HG2 ARG A 86 -0.323 -0.123 -13.954 1.00 44.40 H new ATOM 0 HG3 ARG A 86 -1.164 1.033 -12.941 1.00 44.40 H new ATOM 0 HD2 ARG A 86 -0.413 2.051 -15.074 1.00 74.33 H new ATOM 0 HD3 ARG A 86 0.304 2.848 -13.687 1.00 74.33 H new ATOM 0 HE ARG A 86 2.395 1.450 -14.155 1.00 11.24 H new ATOM 0 HH11 ARG A 86 0.094 2.172 -16.778 1.00 11.03 H new ATOM 0 HH12 ARG A 86 1.327 2.018 -18.034 1.00 11.03 H new ATOM 0 HH21 ARG A 86 3.949 1.319 -15.798 1.00 51.52 H new ATOM 0 HH22 ARG A 86 3.478 1.543 -17.486 1.00 51.52 H new ATOM 1326 N LEU A 87 0.744 0.357 -9.006 1.00 52.23 N ATOM 1327 CA LEU A 87 1.135 -0.227 -7.719 1.00 35.35 C ATOM 1328 C LEU A 87 2.130 -1.383 -7.925 1.00 4.43 C ATOM 1329 O LEU A 87 3.245 -1.339 -7.398 1.00 70.10 O ATOM 1330 CB LEU A 87 -0.161 -0.664 -6.981 1.00 71.12 C ATOM 1331 CG LEU A 87 -0.067 -1.085 -5.473 1.00 12.14 C ATOM 1332 CD1 LEU A 87 -1.461 -1.048 -4.830 1.00 51.01 C ATOM 1333 CD2 LEU A 87 0.562 -2.484 -5.283 1.00 40.12 C ATOM 0 H LEU A 87 -0.253 0.266 -9.201 1.00 52.23 H new ATOM 0 HA LEU A 87 1.658 0.503 -7.101 1.00 35.35 H new ATOM 0 HB2 LEU A 87 -0.873 0.158 -7.050 1.00 71.12 H new ATOM 0 HB3 LEU A 87 -0.588 -1.502 -7.532 1.00 71.12 H new ATOM 0 HG LEU A 87 0.590 -0.367 -4.981 1.00 12.14 H new ATOM 0 HD11 LEU A 87 -1.387 -1.342 -3.783 1.00 51.01 H new ATOM 0 HD12 LEU A 87 -1.865 -0.038 -4.896 1.00 51.01 H new ATOM 0 HD13 LEU A 87 -2.122 -1.738 -5.354 1.00 51.01 H new ATOM 0 HD21 LEU A 87 0.602 -2.724 -4.220 1.00 40.12 H new ATOM 0 HD22 LEU A 87 -0.043 -3.228 -5.800 1.00 40.12 H new ATOM 0 HD23 LEU A 87 1.571 -2.488 -5.694 1.00 40.12 H new ATOM 1345 N ALA A 88 1.726 -2.384 -8.734 1.00 11.20 N ATOM 1346 CA ALA A 88 2.526 -3.610 -8.964 1.00 54.51 C ATOM 1347 C ALA A 88 3.719 -3.335 -9.894 1.00 72.31 C ATOM 1348 O ALA A 88 4.723 -4.039 -9.847 1.00 71.01 O ATOM 1349 CB ALA A 88 1.642 -4.721 -9.549 1.00 4.35 C ATOM 0 H ALA A 88 0.843 -2.368 -9.244 1.00 11.20 H new ATOM 0 HA ALA A 88 2.919 -3.937 -8.002 1.00 54.51 H new ATOM 0 HB1 ALA A 88 2.243 -5.616 -9.713 1.00 4.35 H new ATOM 0 HB2 ALA A 88 0.835 -4.948 -8.853 1.00 4.35 H new ATOM 0 HB3 ALA A 88 1.220 -4.389 -10.497 1.00 4.35 H new ATOM 1355 N ASP A 89 3.576 -2.294 -10.729 1.00 21.05 N ATOM 1356 CA ASP A 89 4.617 -1.854 -11.683 1.00 73.42 C ATOM 1357 C ASP A 89 5.756 -1.125 -10.942 1.00 74.44 C ATOM 1358 O ASP A 89 6.924 -1.210 -11.336 1.00 30.21 O ATOM 1359 CB ASP A 89 3.947 -0.962 -12.758 1.00 52.41 C ATOM 1360 CG ASP A 89 4.881 -0.357 -13.817 1.00 34.03 C ATOM 1361 OD1 ASP A 89 4.742 0.842 -14.132 1.00 34.35 O ATOM 1362 OD2 ASP A 89 5.742 -1.075 -14.368 1.00 52.34 O1- ATOM 0 H ASP A 89 2.729 -1.727 -10.765 1.00 21.05 H new ATOM 0 HA ASP A 89 5.072 -2.713 -12.177 1.00 73.42 H new ATOM 0 HB2 ASP A 89 3.188 -1.554 -13.269 1.00 52.41 H new ATOM 0 HB3 ASP A 89 3.429 -0.147 -12.252 1.00 52.41 H new ATOM 1367 N PHE A 90 5.398 -0.416 -9.857 1.00 40.31 N ATOM 1368 CA PHE A 90 6.375 0.202 -8.939 1.00 64.41 C ATOM 1369 C PHE A 90 6.968 -0.870 -8.000 1.00 55.44 C ATOM 1370 O PHE A 90 8.169 -0.856 -7.706 1.00 71.35 O ATOM 1371 CB PHE A 90 5.715 1.352 -8.125 1.00 13.53 C ATOM 1372 CG PHE A 90 6.646 2.039 -7.121 1.00 70.33 C ATOM 1373 CD1 PHE A 90 7.837 2.631 -7.544 1.00 34.25 C ATOM 1374 CD2 PHE A 90 6.341 2.077 -5.756 1.00 61.20 C ATOM 1375 CE1 PHE A 90 8.689 3.242 -6.641 1.00 71.14 C ATOM 1376 CE2 PHE A 90 7.192 2.693 -4.859 1.00 55.13 C ATOM 1377 CZ PHE A 90 8.369 3.268 -5.298 1.00 2.52 C ATOM 0 H PHE A 90 4.427 -0.255 -9.591 1.00 40.31 H new ATOM 0 HA PHE A 90 7.185 0.634 -9.527 1.00 64.41 H new ATOM 0 HB2 PHE A 90 5.336 2.101 -8.821 1.00 13.53 H new ATOM 0 HB3 PHE A 90 4.855 0.952 -7.588 1.00 13.53 H new ATOM 0 HD1 PHE A 90 8.098 2.612 -8.592 1.00 34.25 H new ATOM 0 HD2 PHE A 90 5.430 1.620 -5.400 1.00 61.20 H new ATOM 0 HE1 PHE A 90 9.605 3.699 -6.987 1.00 71.14 H new ATOM 0 HE2 PHE A 90 6.936 2.725 -3.810 1.00 55.13 H new ATOM 0 HZ PHE A 90 9.038 3.737 -4.592 1.00 2.52 H new ATOM 1387 N ALA A 91 6.107 -1.808 -7.566 1.00 44.42 N ATOM 1388 CA ALA A 91 6.474 -2.893 -6.636 1.00 12.33 C ATOM 1389 C ALA A 91 7.477 -3.876 -7.277 1.00 0.10 C ATOM 1390 O ALA A 91 8.348 -4.423 -6.589 1.00 73.13 O ATOM 1391 CB ALA A 91 5.206 -3.618 -6.161 1.00 43.22 C ATOM 0 H ALA A 91 5.129 -1.835 -7.853 1.00 44.42 H new ATOM 0 HA ALA A 91 6.973 -2.455 -5.771 1.00 12.33 H new ATOM 0 HB1 ALA A 91 5.480 -4.419 -5.474 1.00 43.22 H new ATOM 0 HB2 ALA A 91 4.552 -2.911 -5.651 1.00 43.22 H new ATOM 0 HB3 ALA A 91 4.685 -4.040 -7.020 1.00 43.22 H new ATOM 1397 N ALA A 92 7.355 -4.063 -8.604 1.00 44.44 N ATOM 1398 CA ALA A 92 8.268 -4.918 -9.388 1.00 0.22 C ATOM 1399 C ALA A 92 9.667 -4.282 -9.510 1.00 24.23 C ATOM 1400 O ALA A 92 10.671 -4.994 -9.620 1.00 22.24 O ATOM 1401 CB ALA A 92 7.676 -5.188 -10.778 1.00 12.21 C ATOM 0 H ALA A 92 6.622 -3.627 -9.163 1.00 44.44 H new ATOM 0 HA ALA A 92 8.380 -5.866 -8.861 1.00 0.22 H new ATOM 0 HB1 ALA A 92 8.358 -5.820 -11.347 1.00 12.21 H new ATOM 0 HB2 ALA A 92 6.716 -5.693 -10.673 1.00 12.21 H new ATOM 0 HB3 ALA A 92 7.533 -4.243 -11.302 1.00 12.21 H new ATOM 1407 N THR A 93 9.718 -2.928 -9.493 1.00 0.21 N ATOM 1408 CA THR A 93 10.978 -2.160 -9.573 1.00 51.10 C ATOM 1409 C THR A 93 11.534 -1.812 -8.176 1.00 21.53 C ATOM 1410 O THR A 93 12.499 -1.047 -8.059 1.00 35.52 O ATOM 1411 CB THR A 93 10.790 -0.864 -10.440 1.00 63.43 C ATOM 1412 OG1 THR A 93 9.657 -0.103 -9.988 1.00 62.22 O ATOM 1413 CG2 THR A 93 10.596 -1.206 -11.925 1.00 1.34 C ATOM 0 H THR A 93 8.887 -2.341 -9.423 1.00 0.21 H new ATOM 0 HA THR A 93 11.714 -2.798 -10.063 1.00 51.10 H new ATOM 0 HB THR A 93 11.698 -0.272 -10.325 1.00 63.43 H new ATOM 0 HG1 THR A 93 9.357 -0.447 -9.121 1.00 62.22 H new ATOM 0 HG21 THR A 93 10.469 -0.287 -12.497 1.00 1.34 H new ATOM 0 HG22 THR A 93 11.471 -1.743 -12.292 1.00 1.34 H new ATOM 0 HG23 THR A 93 9.711 -1.831 -12.042 1.00 1.34 H new ATOM 1421 N LEU A 94 10.928 -2.380 -7.116 1.00 22.25 N ATOM 1422 CA LEU A 94 11.457 -2.259 -5.747 1.00 5.30 C ATOM 1423 C LEU A 94 12.535 -3.310 -5.485 1.00 63.41 C ATOM 1424 O LEU A 94 12.425 -4.463 -5.915 1.00 51.23 O ATOM 1425 CB LEU A 94 10.334 -2.382 -4.689 1.00 35.43 C ATOM 1426 CG LEU A 94 9.308 -1.218 -4.666 1.00 1.41 C ATOM 1427 CD1 LEU A 94 8.290 -1.401 -3.534 1.00 10.34 C ATOM 1428 CD2 LEU A 94 10.010 0.150 -4.582 1.00 72.11 C ATOM 0 H LEU A 94 10.070 -2.928 -7.183 1.00 22.25 H new ATOM 0 HA LEU A 94 11.900 -1.267 -5.660 1.00 5.30 H new ATOM 0 HB2 LEU A 94 9.796 -3.314 -4.862 1.00 35.43 H new ATOM 0 HB3 LEU A 94 10.794 -2.458 -3.704 1.00 35.43 H new ATOM 0 HG LEU A 94 8.760 -1.241 -5.608 1.00 1.41 H new ATOM 0 HD11 LEU A 94 7.584 -0.571 -3.542 1.00 10.34 H new ATOM 0 HD12 LEU A 94 7.751 -2.337 -3.677 1.00 10.34 H new ATOM 0 HD13 LEU A 94 8.811 -1.425 -2.577 1.00 10.34 H new ATOM 0 HD21 LEU A 94 9.262 0.943 -4.568 1.00 72.11 H new ATOM 0 HD22 LEU A 94 10.606 0.198 -3.671 1.00 72.11 H new ATOM 0 HD23 LEU A 94 10.659 0.279 -5.448 1.00 72.11 H new ATOM 1440 N ARG A 95 13.573 -2.884 -4.770 1.00 33.33 N ATOM 1441 CA ARG A 95 14.681 -3.745 -4.342 1.00 42.55 C ATOM 1442 C ARG A 95 14.466 -4.081 -2.856 1.00 0.13 C ATOM 1443 O ARG A 95 13.690 -3.409 -2.184 1.00 74.40 O ATOM 1444 CB ARG A 95 16.045 -3.006 -4.532 1.00 11.44 C ATOM 1445 CG ARG A 95 16.071 -1.923 -5.635 1.00 3.42 C ATOM 1446 CD ARG A 95 17.411 -1.167 -5.685 1.00 31.42 C ATOM 1447 NE ARG A 95 17.339 0.045 -6.510 1.00 14.40 N ATOM 1448 CZ ARG A 95 17.774 0.165 -7.763 1.00 34.01 C ATOM 1449 NH1 ARG A 95 18.321 -0.867 -8.401 1.00 45.31 N1+ ATOM 1450 NH2 ARG A 95 17.677 1.327 -8.373 1.00 30.53 N ATOM 0 H ARG A 95 13.673 -1.916 -4.465 1.00 33.33 H new ATOM 0 HA ARG A 95 14.705 -4.656 -4.940 1.00 42.55 H new ATOM 0 HB2 ARG A 95 16.321 -2.541 -3.585 1.00 11.44 H new ATOM 0 HB3 ARG A 95 16.811 -3.748 -4.758 1.00 11.44 H new ATOM 0 HG2 ARG A 95 15.884 -2.389 -6.602 1.00 3.42 H new ATOM 0 HG3 ARG A 95 15.263 -1.213 -5.462 1.00 3.42 H new ATOM 0 HD2 ARG A 95 17.711 -0.897 -4.672 1.00 31.42 H new ATOM 0 HD3 ARG A 95 18.183 -1.827 -6.080 1.00 31.42 H new ATOM 0 HE ARG A 95 16.917 0.871 -6.085 1.00 14.40 H new ATOM 0 HH11 ARG A 95 18.412 -1.767 -7.930 1.00 45.31 H new ATOM 0 HH12 ARG A 95 18.649 -0.758 -9.361 1.00 45.31 H new ATOM 0 HH21 ARG A 95 17.271 2.126 -7.886 1.00 30.53 H new ATOM 0 HH22 ARG A 95 18.008 1.428 -9.333 1.00 30.53 H new ATOM 1464 N LYS A 96 15.108 -5.138 -2.359 1.00 73.11 N ATOM 1465 CA LYS A 96 15.213 -5.402 -0.914 1.00 72.24 C ATOM 1466 C LYS A 96 16.532 -4.819 -0.383 1.00 33.53 C ATOM 1467 O LYS A 96 17.608 -5.316 -0.732 1.00 35.13 O ATOM 1468 CB LYS A 96 15.088 -6.927 -0.635 1.00 3.24 C ATOM 1469 CG LYS A 96 13.662 -7.465 -0.883 1.00 43.30 C ATOM 1470 CD LYS A 96 13.531 -8.989 -0.690 1.00 3.25 C ATOM 1471 CE LYS A 96 12.078 -9.459 -0.846 1.00 62.43 C ATOM 1472 NZ LYS A 96 11.976 -10.936 -0.828 1.00 22.24 N1+ ATOM 0 H LYS A 96 15.571 -5.837 -2.940 1.00 73.11 H new ATOM 0 HA LYS A 96 14.394 -4.913 -0.385 1.00 72.24 H new ATOM 0 HB2 LYS A 96 15.791 -7.467 -1.270 1.00 3.24 H new ATOM 0 HB3 LYS A 96 15.373 -7.127 0.398 1.00 3.24 H new ATOM 0 HG2 LYS A 96 12.971 -6.962 -0.207 1.00 43.30 H new ATOM 0 HG3 LYS A 96 13.358 -7.209 -1.898 1.00 43.30 H new ATOM 0 HD2 LYS A 96 14.160 -9.503 -1.417 1.00 3.25 H new ATOM 0 HD3 LYS A 96 13.898 -9.263 0.299 1.00 3.25 H new ATOM 0 HE2 LYS A 96 11.472 -9.042 -0.041 1.00 62.43 H new ATOM 0 HE3 LYS A 96 11.670 -9.077 -1.782 1.00 62.43 H new ATOM 0 HZ1 LYS A 96 10.980 -11.217 -0.936 1.00 22.24 H new ATOM 0 HZ2 LYS A 96 12.534 -11.332 -1.611 1.00 22.24 H new ATOM 0 HZ3 LYS A 96 12.342 -11.298 0.076 1.00 22.24 H new ATOM 1486 N THR A 97 16.443 -3.738 0.417 1.00 64.33 N ATOM 1487 CA THR A 97 17.611 -3.113 1.056 1.00 24.42 C ATOM 1488 C THR A 97 18.268 -4.087 2.049 1.00 43.32 C ATOM 1489 O THR A 97 17.565 -4.837 2.743 1.00 4.33 O ATOM 1490 CB THR A 97 17.207 -1.810 1.825 1.00 24.15 C ATOM 1491 OG1 THR A 97 16.435 -0.970 0.977 1.00 55.25 O ATOM 1492 CG2 THR A 97 18.423 -1.014 2.325 1.00 60.14 C ATOM 0 H THR A 97 15.560 -3.277 0.636 1.00 64.33 H new ATOM 0 HA THR A 97 18.316 -2.858 0.264 1.00 24.42 H new ATOM 0 HB THR A 97 16.630 -2.126 2.694 1.00 24.15 H new ATOM 0 HG1 THR A 97 16.183 -0.157 1.463 1.00 55.25 H new ATOM 0 HG21 THR A 97 18.083 -0.122 2.850 1.00 60.14 H new ATOM 0 HG22 THR A 97 19.009 -1.633 3.004 1.00 60.14 H new ATOM 0 HG23 THR A 97 19.041 -0.722 1.476 1.00 60.14 H new ATOM 1500 N ASP A 98 19.608 -4.082 2.100 1.00 13.43 N ATOM 1501 CA ASP A 98 20.349 -4.798 3.141 1.00 60.15 C ATOM 1502 C ASP A 98 20.083 -4.130 4.491 1.00 31.32 C ATOM 1503 O ASP A 98 20.533 -3.002 4.722 1.00 53.53 O ATOM 1504 CB ASP A 98 21.867 -4.826 2.838 1.00 74.25 C ATOM 1505 CG ASP A 98 22.186 -5.642 1.583 1.00 50.34 C ATOM 1506 OD1 ASP A 98 22.052 -5.107 0.471 1.00 10.20 O ATOM 1507 OD2 ASP A 98 22.540 -6.831 1.697 1.00 61.42 O1- ATOM 0 H ASP A 98 20.198 -3.589 1.430 1.00 13.43 H new ATOM 0 HA ASP A 98 20.006 -5.832 3.168 1.00 60.15 H new ATOM 0 HB2 ASP A 98 22.230 -3.806 2.709 1.00 74.25 H new ATOM 0 HB3 ASP A 98 22.399 -5.249 3.690 1.00 74.25 H new ATOM 1512 N VAL A 99 19.287 -4.803 5.335 1.00 31.13 N ATOM 1513 CA VAL A 99 18.996 -4.349 6.703 1.00 65.52 C ATOM 1514 C VAL A 99 20.300 -4.345 7.550 1.00 12.14 C ATOM 1515 O VAL A 99 21.185 -5.174 7.303 1.00 4.43 O ATOM 1516 CB VAL A 99 17.869 -5.235 7.368 1.00 33.23 C ATOM 1517 CG1 VAL A 99 16.539 -5.109 6.587 1.00 25.02 C ATOM 1518 CG2 VAL A 99 18.301 -6.713 7.501 1.00 3.55 C ATOM 0 H VAL A 99 18.826 -5.679 5.088 1.00 31.13 H new ATOM 0 HA VAL A 99 18.615 -3.328 6.662 1.00 65.52 H new ATOM 0 HB VAL A 99 17.709 -4.857 8.378 1.00 33.23 H new ATOM 0 HG11 VAL A 99 15.778 -5.727 7.063 1.00 25.02 H new ATOM 0 HG12 VAL A 99 16.214 -4.069 6.588 1.00 25.02 H new ATOM 0 HG13 VAL A 99 16.687 -5.442 5.560 1.00 25.02 H new ATOM 0 HG21 VAL A 99 17.497 -7.287 7.963 1.00 3.55 H new ATOM 0 HG22 VAL A 99 18.516 -7.120 6.513 1.00 3.55 H new ATOM 0 HG23 VAL A 99 19.195 -6.776 8.121 1.00 3.55 H new ATOM 1528 N PRO A 100 20.439 -3.425 8.568 1.00 61.44 N ATOM 1529 CA PRO A 100 21.724 -3.194 9.303 1.00 24.42 C ATOM 1530 C PRO A 100 22.256 -4.390 10.154 1.00 63.12 C ATOM 1531 O PRO A 100 23.159 -4.202 10.980 1.00 61.40 O ATOM 1532 CB PRO A 100 21.405 -1.953 10.183 1.00 52.44 C ATOM 1533 CG PRO A 100 19.916 -1.975 10.355 1.00 22.32 C ATOM 1534 CD PRO A 100 19.369 -2.503 9.051 1.00 64.13 C ATOM 0 HA PRO A 100 22.544 -3.056 8.598 1.00 24.42 H new ATOM 0 HB2 PRO A 100 21.915 -2.009 11.145 1.00 52.44 H new ATOM 0 HB3 PRO A 100 21.734 -1.032 9.701 1.00 52.44 H new ATOM 0 HG2 PRO A 100 19.626 -2.613 11.190 1.00 22.32 H new ATOM 0 HG3 PRO A 100 19.530 -0.978 10.568 1.00 22.32 H new ATOM 0 HD2 PRO A 100 18.424 -3.027 9.196 1.00 64.13 H new ATOM 0 HD3 PRO A 100 19.182 -1.698 8.340 1.00 64.13 H new ATOM 1542 N VAL A 101 21.723 -5.610 9.936 1.00 43.40 N ATOM 1543 CA VAL A 101 22.237 -6.842 10.577 1.00 43.03 C ATOM 1544 C VAL A 101 23.572 -7.286 9.936 1.00 52.41 C ATOM 1545 O VAL A 101 24.345 -8.026 10.554 1.00 22.31 O ATOM 1546 CB VAL A 101 21.189 -8.011 10.507 1.00 54.54 C ATOM 1547 CG1 VAL A 101 19.836 -7.559 11.095 1.00 63.41 C ATOM 1548 CG2 VAL A 101 21.036 -8.559 9.072 1.00 52.22 C ATOM 0 H VAL A 101 20.930 -5.770 9.315 1.00 43.40 H new ATOM 0 HA VAL A 101 22.414 -6.608 11.627 1.00 43.03 H new ATOM 0 HB VAL A 101 21.562 -8.834 11.116 1.00 54.54 H new ATOM 0 HG11 VAL A 101 19.122 -8.381 11.039 1.00 63.41 H new ATOM 0 HG12 VAL A 101 19.971 -7.267 12.136 1.00 63.41 H new ATOM 0 HG13 VAL A 101 19.458 -6.710 10.526 1.00 63.41 H new ATOM 0 HG21 VAL A 101 20.303 -9.365 9.067 1.00 52.22 H new ATOM 0 HG22 VAL A 101 20.701 -7.760 8.411 1.00 52.22 H new ATOM 0 HG23 VAL A 101 21.996 -8.939 8.724 1.00 52.22 H new ATOM 1558 N GLU A 102 23.835 -6.814 8.695 1.00 11.53 N ATOM 1559 CA GLU A 102 25.066 -7.144 7.946 1.00 45.20 C ATOM 1560 C GLU A 102 26.292 -6.363 8.489 1.00 0.15 C ATOM 1561 O GLU A 102 26.211 -5.711 9.538 1.00 32.53 O ATOM 1562 CB GLU A 102 24.847 -6.936 6.409 1.00 64.02 C ATOM 1563 CG GLU A 102 24.133 -5.633 5.972 1.00 2.13 C ATOM 1564 CD GLU A 102 24.851 -4.329 6.367 1.00 15.11 C ATOM 1565 OE1 GLU A 102 24.356 -3.606 7.252 1.00 31.11 O ATOM 1566 OE2 GLU A 102 25.926 -4.043 5.809 1.00 51.53 O1- ATOM 0 H GLU A 102 23.201 -6.196 8.188 1.00 11.53 H new ATOM 0 HA GLU A 102 25.290 -8.200 8.099 1.00 45.20 H new ATOM 0 HB2 GLU A 102 25.821 -6.969 5.920 1.00 64.02 H new ATOM 0 HB3 GLU A 102 24.272 -7.781 6.031 1.00 64.02 H new ATOM 0 HG2 GLU A 102 24.013 -5.649 4.889 1.00 2.13 H new ATOM 0 HG3 GLU A 102 23.132 -5.623 6.404 1.00 2.13 H new ATOM 1573 N GLN A 103 27.422 -6.438 7.761 1.00 32.15 N ATOM 1574 CA GLN A 103 28.712 -5.870 8.191 1.00 22.24 C ATOM 1575 C GLN A 103 29.291 -4.960 7.077 1.00 63.24 C ATOM 1576 O GLN A 103 28.881 -5.084 5.913 1.00 25.43 O ATOM 1577 CB GLN A 103 29.696 -7.029 8.529 1.00 41.13 C ATOM 1578 CG GLN A 103 30.052 -7.942 7.338 1.00 14.23 C ATOM 1579 CD GLN A 103 31.083 -9.014 7.697 1.00 71.11 C ATOM 1580 OE1 GLN A 103 30.732 -10.119 8.113 1.00 23.31 O ATOM 1581 NE2 GLN A 103 32.362 -8.686 7.561 1.00 12.10 N ATOM 0 H GLN A 103 27.465 -6.898 6.852 1.00 32.15 H new ATOM 0 HA GLN A 103 28.566 -5.260 9.082 1.00 22.24 H new ATOM 0 HB2 GLN A 103 30.616 -6.601 8.929 1.00 41.13 H new ATOM 0 HB3 GLN A 103 29.259 -7.640 9.319 1.00 41.13 H new ATOM 0 HG2 GLN A 103 29.145 -8.425 6.973 1.00 14.23 H new ATOM 0 HG3 GLN A 103 30.439 -7.332 6.522 1.00 14.23 H new ATOM 0 HE21 GLN A 103 32.617 -7.762 7.213 1.00 12.10 H new ATOM 0 HE22 GLN A 103 33.090 -9.358 7.804 1.00 12.10 H new ATOM 1590 N PRO A 104 30.237 -4.014 7.413 1.00 23.33 N ATOM 1591 CA PRO A 104 30.951 -3.210 6.392 1.00 33.15 C ATOM 1592 C PRO A 104 31.825 -4.094 5.471 1.00 52.23 C ATOM 1593 O PRO A 104 32.979 -4.410 5.789 1.00 40.25 O ATOM 1594 CB PRO A 104 31.805 -2.219 7.235 1.00 1.23 C ATOM 1595 CG PRO A 104 31.937 -2.872 8.581 1.00 74.21 C ATOM 1596 CD PRO A 104 30.640 -3.620 8.795 1.00 64.31 C ATOM 0 HA PRO A 104 30.272 -2.698 5.710 1.00 33.15 H new ATOM 0 HB2 PRO A 104 32.781 -2.052 6.779 1.00 1.23 H new ATOM 0 HB3 PRO A 104 31.319 -1.246 7.313 1.00 1.23 H new ATOM 0 HG2 PRO A 104 32.790 -3.550 8.606 1.00 74.21 H new ATOM 0 HG3 PRO A 104 32.096 -2.130 9.363 1.00 74.21 H new ATOM 0 HD2 PRO A 104 30.779 -4.490 9.437 1.00 64.31 H new ATOM 0 HD3 PRO A 104 29.887 -2.991 9.269 1.00 64.31 H new ATOM 1604 N PHE A 105 31.229 -4.556 4.364 1.00 72.35 N ATOM 1605 CA PHE A 105 31.932 -5.340 3.335 1.00 11.24 C ATOM 1606 C PHE A 105 31.927 -4.525 2.033 1.00 14.14 C ATOM 1607 O PHE A 105 30.859 -4.094 1.575 1.00 74.34 O ATOM 1608 CB PHE A 105 31.244 -6.723 3.141 1.00 11.11 C ATOM 1609 CG PHE A 105 32.092 -7.743 2.366 1.00 44.11 C ATOM 1610 CD1 PHE A 105 32.191 -7.693 0.973 1.00 41.32 C ATOM 1611 CD2 PHE A 105 32.801 -8.742 3.038 1.00 44.30 C ATOM 1612 CE1 PHE A 105 32.970 -8.600 0.283 1.00 23.02 C ATOM 1613 CE2 PHE A 105 33.579 -9.652 2.342 1.00 34.45 C ATOM 1614 CZ PHE A 105 33.660 -9.578 0.966 1.00 62.41 C ATOM 0 H PHE A 105 30.243 -4.397 4.155 1.00 72.35 H new ATOM 0 HA PHE A 105 32.960 -5.535 3.640 1.00 11.24 H new ATOM 0 HB2 PHE A 105 31.002 -7.137 4.120 1.00 11.11 H new ATOM 0 HB3 PHE A 105 30.301 -6.577 2.615 1.00 11.11 H new ATOM 0 HD1 PHE A 105 31.650 -6.933 0.428 1.00 41.32 H new ATOM 0 HD2 PHE A 105 32.741 -8.805 4.114 1.00 44.30 H new ATOM 0 HE1 PHE A 105 33.039 -8.543 -0.793 1.00 23.02 H new ATOM 0 HE2 PHE A 105 34.122 -10.419 2.875 1.00 34.45 H new ATOM 0 HZ PHE A 105 34.266 -10.289 0.423 1.00 62.41 H new ATOM 1624 N VAL A 106 33.113 -4.335 1.435 1.00 54.03 N ATOM 1625 CA VAL A 106 33.300 -3.457 0.260 1.00 35.31 C ATOM 1626 C VAL A 106 32.996 -4.194 -1.072 1.00 54.03 C ATOM 1627 O VAL A 106 33.790 -4.172 -2.016 1.00 61.12 O ATOM 1628 CB VAL A 106 34.750 -2.819 0.266 1.00 45.34 C ATOM 1629 CG1 VAL A 106 34.918 -1.848 1.461 1.00 53.25 C ATOM 1630 CG2 VAL A 106 35.866 -3.896 0.274 1.00 22.40 C ATOM 0 H VAL A 106 33.973 -4.784 1.750 1.00 54.03 H new ATOM 0 HA VAL A 106 32.577 -2.645 0.333 1.00 35.31 H new ATOM 0 HB VAL A 106 34.855 -2.255 -0.661 1.00 45.34 H new ATOM 0 HG11 VAL A 106 35.921 -1.422 1.445 1.00 53.25 H new ATOM 0 HG12 VAL A 106 34.182 -1.047 1.385 1.00 53.25 H new ATOM 0 HG13 VAL A 106 34.769 -2.391 2.394 1.00 53.25 H new ATOM 0 HG21 VAL A 106 36.841 -3.409 0.278 1.00 22.40 H new ATOM 0 HG22 VAL A 106 35.767 -4.516 1.165 1.00 22.40 H new ATOM 0 HG23 VAL A 106 35.776 -4.520 -0.615 1.00 22.40 H new ATOM 1640 N HIS A 107 31.807 -4.824 -1.141 1.00 71.30 N ATOM 1641 CA HIS A 107 31.326 -5.518 -2.361 1.00 75.43 C ATOM 1642 C HIS A 107 30.896 -4.483 -3.426 1.00 23.22 C ATOM 1643 O HIS A 107 30.873 -4.780 -4.626 1.00 74.11 O ATOM 1644 CB HIS A 107 30.153 -6.472 -2.007 1.00 53.13 C ATOM 1645 CG HIS A 107 29.742 -7.432 -3.109 1.00 0.43 C ATOM 1646 ND1 HIS A 107 28.512 -8.054 -3.144 1.00 44.43 N ATOM 1647 CD2 HIS A 107 30.416 -7.905 -4.194 1.00 12.51 C ATOM 1648 CE1 HIS A 107 28.448 -8.850 -4.193 1.00 64.43 C ATOM 1649 NE2 HIS A 107 29.585 -8.779 -4.843 1.00 61.24 N ATOM 0 H HIS A 107 31.153 -4.869 -0.359 1.00 71.30 H new ATOM 0 HA HIS A 107 32.138 -6.116 -2.775 1.00 75.43 H new ATOM 0 HB2 HIS A 107 30.431 -7.052 -1.127 1.00 53.13 H new ATOM 0 HB3 HIS A 107 29.287 -5.870 -1.731 1.00 53.13 H new ATOM 0 HD2 HIS A 107 31.421 -7.640 -4.488 1.00 12.51 H new ATOM 0 HE1 HIS A 107 27.601 -9.459 -4.471 1.00 64.43 H new ATOM 0 HE2 HIS A 107 29.813 -9.292 -5.695 1.00 61.24 H new ATOM 1658 N SER A 108 30.536 -3.278 -2.954 1.00 55.24 N ATOM 1659 CA SER A 108 30.257 -2.116 -3.807 1.00 41.30 C ATOM 1660 C SER A 108 31.580 -1.562 -4.394 1.00 52.03 C ATOM 1661 O SER A 108 32.625 -1.650 -3.725 1.00 21.02 O ATOM 1662 CB SER A 108 29.498 -1.051 -2.975 1.00 75.31 C ATOM 1663 OG SER A 108 30.152 -0.789 -1.749 1.00 21.43 O ATOM 0 H SER A 108 30.430 -3.084 -1.958 1.00 55.24 H new ATOM 0 HA SER A 108 29.626 -2.404 -4.648 1.00 41.30 H new ATOM 0 HB2 SER A 108 29.417 -0.128 -3.550 1.00 75.31 H new ATOM 0 HB3 SER A 108 28.482 -1.396 -2.781 1.00 75.31 H new ATOM 0 HG SER A 108 29.650 -0.112 -1.248 1.00 21.43 H new ATOM 1669 N PRO A 109 31.560 -0.997 -5.655 1.00 35.34 N ATOM 1670 CA PRO A 109 32.792 -0.553 -6.374 1.00 4.21 C ATOM 1671 C PRO A 109 33.649 0.458 -5.581 1.00 5.14 C ATOM 1672 O PRO A 109 34.880 0.450 -5.712 1.00 74.14 O ATOM 1673 CB PRO A 109 32.248 0.080 -7.690 1.00 31.10 C ATOM 1674 CG PRO A 109 30.788 0.333 -7.437 1.00 53.10 C ATOM 1675 CD PRO A 109 30.345 -0.758 -6.488 1.00 43.02 C ATOM 0 HA PRO A 109 33.470 -1.390 -6.539 1.00 4.21 H new ATOM 0 HB2 PRO A 109 32.772 1.006 -7.927 1.00 31.10 H new ATOM 0 HB3 PRO A 109 32.389 -0.592 -8.537 1.00 31.10 H new ATOM 0 HG2 PRO A 109 30.631 1.320 -7.001 1.00 53.10 H new ATOM 0 HG3 PRO A 109 30.218 0.300 -8.365 1.00 53.10 H new ATOM 0 HD2 PRO A 109 29.496 -0.444 -5.881 1.00 43.02 H new ATOM 0 HD3 PRO A 109 30.040 -1.657 -7.022 1.00 43.02 H new ATOM 1683 N GLU A 110 32.974 1.296 -4.762 1.00 13.45 N ATOM 1684 CA GLU A 110 33.591 2.390 -3.988 1.00 14.30 C ATOM 1685 C GLU A 110 34.302 3.351 -4.961 1.00 2.24 C ATOM 1686 O GLU A 110 35.528 3.314 -5.125 1.00 73.22 O ATOM 1687 CB GLU A 110 34.532 1.841 -2.858 1.00 61.53 C ATOM 1688 CG GLU A 110 34.756 2.780 -1.638 1.00 65.11 C ATOM 1689 CD GLU A 110 35.530 4.081 -1.941 1.00 60.31 C ATOM 1690 OE1 GLU A 110 36.782 4.049 -1.947 1.00 24.30 O ATOM 1691 OE2 GLU A 110 34.898 5.133 -2.175 1.00 51.14 O1- ATOM 0 H GLU A 110 31.966 1.227 -4.620 1.00 13.45 H new ATOM 0 HA GLU A 110 32.818 2.952 -3.464 1.00 14.30 H new ATOM 0 HB2 GLU A 110 34.119 0.900 -2.495 1.00 61.53 H new ATOM 0 HB3 GLU A 110 35.503 1.615 -3.300 1.00 61.53 H new ATOM 0 HG2 GLU A 110 33.784 3.044 -1.220 1.00 65.11 H new ATOM 0 HG3 GLU A 110 35.295 2.227 -0.869 1.00 65.11 H new ATOM 1698 N ASP A 111 33.486 4.141 -5.663 1.00 32.44 N ATOM 1699 CA ASP A 111 33.947 5.109 -6.668 1.00 40.33 C ATOM 1700 C ASP A 111 34.541 6.375 -5.992 1.00 55.42 C ATOM 1701 O ASP A 111 35.629 6.831 -6.407 1.00 60.45 O ATOM 1702 CB ASP A 111 32.781 5.481 -7.629 1.00 70.11 C ATOM 1703 CG ASP A 111 31.584 6.167 -6.941 1.00 23.11 C ATOM 1704 OD1 ASP A 111 31.444 7.401 -7.057 1.00 74.13 O ATOM 1705 OD2 ASP A 111 30.791 5.472 -6.261 1.00 3.50 O1- ATOM 1706 OXT ASP A 111 33.942 6.889 -5.025 1.00 37.89 O1- ATOM 0 H ASP A 111 32.472 4.128 -5.550 1.00 32.44 H new ATOM 0 HA ASP A 111 34.742 4.647 -7.254 1.00 40.33 H new ATOM 0 HB2 ASP A 111 33.164 6.141 -8.407 1.00 70.11 H new ATOM 0 HB3 ASP A 111 32.430 4.575 -8.123 1.00 70.11 H new TER 1711 ASP A 111