USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 26 TYR OH : rot 136:sc= 0.221 USER MOD Set 1.2: A 38 THR OG1 : rot -12:sc= 1.14 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.1 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.481 K(o=0.48,f=-0.61) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 32:sc= 0.05 USER MOD Single : A 27 GLN : amide:sc= 0.0712 X(o=0.071,f=-0.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0169 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.4) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.772 K(o=-0.77,f=-1.8!) USER MOD Single : A 49 ASN : amide:sc= -6.54! C(o=-6.5!,f=-8.8!) USER MOD Single : A 53 GLN : amide:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.23! C(o=-2.2!,f=-3.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.194 K(o=-0.19,f=-2) USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.0171 (180deg=-0.252) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.689 K(o=-0.69,f=-3.4!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -57.530 -23.980 -13.685 1.00 0.00 N ATOM 2 CA GLY A 1 -58.399 -22.861 -13.369 1.00 0.00 C ATOM 3 C GLY A 1 -57.865 -21.545 -13.900 1.00 0.00 C ATOM 4 O GLY A 1 -56.745 -21.480 -14.407 1.00 0.00 O ATOM 0 H1 GLY A 1 -57.960 -24.551 -14.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 -56.606 -23.623 -14.003 1.00 0.00 H new ATOM 0 H3 GLY A 1 -57.400 -24.569 -12.838 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -59.389 -23.044 -13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -58.518 -22.792 -12.288 1.00 0.00 H new ATOM 8 N SER A 2 -58.670 -20.493 -13.785 1.00 0.00 N ATOM 9 CA SER A 2 -58.274 -19.173 -14.263 1.00 0.00 C ATOM 10 C SER A 2 -57.982 -18.237 -13.094 1.00 0.00 C ATOM 11 O SER A 2 -58.165 -18.602 -11.932 1.00 0.00 O ATOM 12 CB SER A 2 -59.372 -18.577 -15.146 1.00 0.00 C ATOM 13 OG SER A 2 -59.397 -19.199 -16.419 1.00 0.00 O ATOM 0 H SER A 2 -59.599 -20.529 -13.366 1.00 0.00 H new ATOM 0 HA SER A 2 -57.364 -19.285 -14.852 1.00 0.00 H new ATOM 0 HB2 SER A 2 -60.340 -18.698 -14.660 1.00 0.00 H new ATOM 0 HB3 SER A 2 -59.207 -17.506 -15.264 1.00 0.00 H new ATOM 0 HG SER A 2 -60.108 -18.801 -16.963 1.00 0.00 H new ATOM 19 N SER A 3 -57.526 -17.029 -13.410 1.00 0.00 N ATOM 20 CA SER A 3 -57.205 -16.042 -12.387 1.00 0.00 C ATOM 21 C SER A 3 -56.849 -14.700 -13.020 1.00 0.00 C ATOM 22 O SER A 3 -56.354 -14.643 -14.144 1.00 0.00 O ATOM 23 CB SER A 3 -56.043 -16.533 -11.521 1.00 0.00 C ATOM 24 OG SER A 3 -55.696 -15.572 -10.539 1.00 0.00 O ATOM 0 H SER A 3 -57.371 -16.711 -14.367 1.00 0.00 H new ATOM 0 HA SER A 3 -58.086 -15.907 -11.759 1.00 0.00 H new ATOM 0 HB2 SER A 3 -56.317 -17.470 -11.036 1.00 0.00 H new ATOM 0 HB3 SER A 3 -55.179 -16.742 -12.151 1.00 0.00 H new ATOM 0 HG SER A 3 -54.952 -15.911 -9.998 1.00 0.00 H new ATOM 30 N GLY A 4 -57.107 -13.620 -12.287 1.00 0.00 N ATOM 31 CA GLY A 4 -56.810 -12.293 -12.792 1.00 0.00 C ATOM 32 C GLY A 4 -55.507 -11.743 -12.245 1.00 0.00 C ATOM 33 O GLY A 4 -55.193 -11.928 -11.069 1.00 0.00 O ATOM 0 H GLY A 4 -57.516 -13.641 -11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -56.759 -12.325 -13.880 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -57.624 -11.617 -12.531 1.00 0.00 H new ATOM 37 N SER A 5 -54.747 -11.066 -13.099 1.00 0.00 N ATOM 38 CA SER A 5 -53.469 -10.492 -12.696 1.00 0.00 C ATOM 39 C SER A 5 -53.393 -9.015 -13.073 1.00 0.00 C ATOM 40 O SER A 5 -52.393 -8.555 -13.624 1.00 0.00 O ATOM 41 CB SER A 5 -52.314 -11.256 -13.347 1.00 0.00 C ATOM 42 OG SER A 5 -52.420 -11.234 -14.760 1.00 0.00 O ATOM 0 H SER A 5 -54.994 -10.901 -14.075 1.00 0.00 H new ATOM 0 HA SER A 5 -53.387 -10.577 -11.612 1.00 0.00 H new ATOM 0 HB2 SER A 5 -51.365 -10.814 -13.044 1.00 0.00 H new ATOM 0 HB3 SER A 5 -52.312 -12.288 -12.995 1.00 0.00 H new ATOM 0 HG SER A 5 -51.669 -11.727 -15.152 1.00 0.00 H new ATOM 48 N SER A 6 -54.457 -8.279 -12.771 1.00 0.00 N ATOM 49 CA SER A 6 -54.514 -6.855 -13.082 1.00 0.00 C ATOM 50 C SER A 6 -53.899 -6.029 -11.957 1.00 0.00 C ATOM 51 O SER A 6 -53.778 -6.494 -10.824 1.00 0.00 O ATOM 52 CB SER A 6 -55.962 -6.420 -13.316 1.00 0.00 C ATOM 53 OG SER A 6 -56.745 -6.603 -12.149 1.00 0.00 O ATOM 0 H SER A 6 -55.291 -8.644 -12.312 1.00 0.00 H new ATOM 0 HA SER A 6 -53.939 -6.684 -13.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 -55.986 -5.372 -13.613 1.00 0.00 H new ATOM 0 HB3 SER A 6 -56.389 -6.994 -14.138 1.00 0.00 H new ATOM 0 HG SER A 6 -57.665 -6.316 -12.324 1.00 0.00 H new ATOM 59 N GLY A 7 -53.510 -4.798 -12.278 1.00 0.00 N ATOM 60 CA GLY A 7 -52.911 -3.926 -11.285 1.00 0.00 C ATOM 61 C GLY A 7 -51.463 -4.274 -11.005 1.00 0.00 C ATOM 62 O GLY A 7 -51.175 -5.219 -10.269 1.00 0.00 O ATOM 0 H GLY A 7 -53.599 -4.390 -13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -52.973 -2.893 -11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -53.482 -3.989 -10.359 1.00 0.00 H new ATOM 66 N LEU A 8 -50.548 -3.512 -11.595 1.00 0.00 N ATOM 67 CA LEU A 8 -49.121 -3.746 -11.406 1.00 0.00 C ATOM 68 C LEU A 8 -48.390 -2.440 -11.110 1.00 0.00 C ATOM 69 O LEU A 8 -48.120 -1.648 -12.014 1.00 0.00 O ATOM 70 CB LEU A 8 -48.524 -4.408 -12.649 1.00 0.00 C ATOM 71 CG LEU A 8 -47.004 -4.321 -12.792 1.00 0.00 C ATOM 72 CD1 LEU A 8 -46.338 -5.527 -12.148 1.00 0.00 C ATOM 73 CD2 LEU A 8 -46.611 -4.212 -14.258 1.00 0.00 C ATOM 0 H LEU A 8 -50.769 -2.727 -12.208 1.00 0.00 H new ATOM 0 HA LEU A 8 -48.997 -4.412 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -48.809 -5.460 -12.648 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -48.978 -3.956 -13.531 1.00 0.00 H new ATOM 0 HG LEU A 8 -46.661 -3.424 -12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -45.257 -5.448 -12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -46.592 -5.560 -11.089 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -46.687 -6.438 -12.634 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -45.526 -4.151 -14.340 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -46.967 -5.090 -14.796 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -47.058 -3.316 -14.689 1.00 0.00 H new ATOM 85 N LYS A 9 -48.069 -2.223 -9.839 1.00 0.00 N ATOM 86 CA LYS A 9 -47.365 -1.015 -9.423 1.00 0.00 C ATOM 87 C LYS A 9 -45.973 -1.351 -8.897 1.00 0.00 C ATOM 88 O LYS A 9 -45.831 -1.951 -7.832 1.00 0.00 O ATOM 89 CB LYS A 9 -48.166 -0.280 -8.346 1.00 0.00 C ATOM 90 CG LYS A 9 -49.097 0.784 -8.901 1.00 0.00 C ATOM 91 CD LYS A 9 -49.864 0.278 -10.112 1.00 0.00 C ATOM 92 CE LYS A 9 -50.798 -0.864 -9.742 1.00 0.00 C ATOM 93 NZ LYS A 9 -52.127 -0.368 -9.288 1.00 0.00 N ATOM 0 H LYS A 9 -48.285 -2.868 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 9 -47.258 -0.367 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -48.752 -1.006 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -47.474 0.185 -7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -49.800 1.093 -8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -48.519 1.666 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -50.440 1.095 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -49.162 -0.058 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -50.930 -1.519 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -50.345 -1.463 -8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -52.735 -1.176 -9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -52.004 0.237 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -52.571 0.182 -10.051 1.00 0.00 H new ATOM 107 N ARG A 10 -44.951 -0.959 -9.650 1.00 0.00 N ATOM 108 CA ARG A 10 -43.571 -1.218 -9.258 1.00 0.00 C ATOM 109 C ARG A 10 -42.788 0.086 -9.131 1.00 0.00 C ATOM 110 O ARG A 10 -42.453 0.721 -10.131 1.00 0.00 O ATOM 111 CB ARG A 10 -42.892 -2.135 -10.278 1.00 0.00 C ATOM 112 CG ARG A 10 -41.428 -2.405 -9.974 1.00 0.00 C ATOM 113 CD ARG A 10 -40.913 -3.611 -10.745 1.00 0.00 C ATOM 114 NE ARG A 10 -40.877 -3.366 -12.184 1.00 0.00 N ATOM 115 CZ ARG A 10 -40.075 -4.015 -13.020 1.00 0.00 C ATOM 116 NH1 ARG A 10 -39.246 -4.943 -12.563 1.00 0.00 N ATOM 117 NH2 ARG A 10 -40.101 -3.736 -14.317 1.00 0.00 N ATOM 0 H ARG A 10 -45.052 -0.461 -10.534 1.00 0.00 H new ATOM 0 HA ARG A 10 -43.582 -1.712 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -43.428 -3.084 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -42.972 -1.686 -11.268 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -40.834 -1.527 -10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -41.302 -2.574 -8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -39.912 -3.864 -10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -41.550 -4.471 -10.540 1.00 0.00 H new ATOM 0 HE ARG A 10 -41.502 -2.657 -12.568 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -39.223 -5.160 -11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -38.631 -5.440 -13.208 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -40.737 -3.023 -14.673 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -39.485 -4.235 -14.958 1.00 0.00 H new ATOM 131 N ASP A 11 -42.500 0.478 -7.895 1.00 0.00 N ATOM 132 CA ASP A 11 -41.756 1.706 -7.636 1.00 0.00 C ATOM 133 C ASP A 11 -41.208 1.719 -6.213 1.00 0.00 C ATOM 134 O ASP A 11 -41.952 1.920 -5.252 1.00 0.00 O ATOM 135 CB ASP A 11 -42.649 2.926 -7.864 1.00 0.00 C ATOM 136 CG ASP A 11 -43.596 3.175 -6.706 1.00 0.00 C ATOM 137 OD1 ASP A 11 -44.597 2.438 -6.588 1.00 0.00 O ATOM 138 OD2 ASP A 11 -43.334 4.107 -5.916 1.00 0.00 O ATOM 0 H ASP A 11 -42.770 -0.036 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 11 -40.916 1.746 -8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -42.025 3.807 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -43.226 2.784 -8.778 1.00 0.00 H new ATOM 143 N PHE A 12 -39.903 1.504 -6.084 1.00 0.00 N ATOM 144 CA PHE A 12 -39.255 1.489 -4.778 1.00 0.00 C ATOM 145 C PHE A 12 -37.737 1.499 -4.924 1.00 0.00 C ATOM 146 O PHE A 12 -37.209 1.438 -6.034 1.00 0.00 O ATOM 147 CB PHE A 12 -39.694 0.259 -3.981 1.00 0.00 C ATOM 148 CG PHE A 12 -40.055 -0.917 -4.844 1.00 0.00 C ATOM 149 CD1 PHE A 12 -41.322 -1.027 -5.394 1.00 0.00 C ATOM 150 CD2 PHE A 12 -39.126 -1.912 -5.106 1.00 0.00 C ATOM 151 CE1 PHE A 12 -41.656 -2.108 -6.188 1.00 0.00 C ATOM 152 CE2 PHE A 12 -39.455 -2.994 -5.900 1.00 0.00 C ATOM 153 CZ PHE A 12 -40.722 -3.093 -6.441 1.00 0.00 C ATOM 0 H PHE A 12 -39.273 1.338 -6.869 1.00 0.00 H new ATOM 0 HA PHE A 12 -39.557 2.388 -4.241 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -38.891 -0.031 -3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -40.552 0.523 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -42.057 -0.260 -5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -38.134 -1.841 -4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -42.647 -2.182 -6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -38.722 -3.762 -6.097 1.00 0.00 H new ATOM 0 HZ PHE A 12 -40.982 -3.939 -7.060 1.00 0.00 H new ATOM 163 N ILE A 13 -37.041 1.578 -3.795 1.00 0.00 N ATOM 164 CA ILE A 13 -35.583 1.596 -3.796 1.00 0.00 C ATOM 165 C ILE A 13 -35.016 0.224 -3.447 1.00 0.00 C ATOM 166 O ILE A 13 -35.446 -0.409 -2.482 1.00 0.00 O ATOM 167 CB ILE A 13 -35.032 2.635 -2.802 1.00 0.00 C ATOM 168 CG1 ILE A 13 -35.578 4.026 -3.130 1.00 0.00 C ATOM 169 CG2 ILE A 13 -33.511 2.638 -2.828 1.00 0.00 C ATOM 170 CD1 ILE A 13 -35.097 4.567 -4.458 1.00 0.00 C ATOM 0 H ILE A 13 -37.463 1.631 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 13 -35.272 1.869 -4.804 1.00 0.00 H new ATOM 0 HB ILE A 13 -35.358 2.364 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -36.667 3.988 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -35.288 4.717 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -33.136 3.378 -2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -33.140 1.651 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -33.165 2.888 -3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -35.524 5.556 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -34.009 4.638 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -35.411 3.897 -5.259 1.00 0.00 H new ATOM 182 N ILE A 14 -34.048 -0.229 -4.236 1.00 0.00 N ATOM 183 CA ILE A 14 -33.420 -1.524 -4.008 1.00 0.00 C ATOM 184 C ILE A 14 -32.310 -1.422 -2.967 1.00 0.00 C ATOM 185 O ILE A 14 -31.479 -0.514 -3.016 1.00 0.00 O ATOM 186 CB ILE A 14 -32.835 -2.103 -5.310 1.00 0.00 C ATOM 187 CG1 ILE A 14 -33.933 -2.256 -6.365 1.00 0.00 C ATOM 188 CG2 ILE A 14 -32.163 -3.441 -5.040 1.00 0.00 C ATOM 189 CD1 ILE A 14 -34.138 -1.016 -7.207 1.00 0.00 C ATOM 0 H ILE A 14 -33.681 0.282 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 14 -34.199 -2.192 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 14 -32.084 -1.412 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -33.684 -3.092 -7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -34.870 -2.508 -5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -31.755 -3.837 -5.970 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -31.357 -3.304 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -32.895 -4.141 -4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -34.931 -1.196 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -34.418 -0.182 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -33.213 -0.775 -7.732 1.00 0.00 H new ATOM 201 N LEU A 15 -32.302 -2.359 -2.026 1.00 0.00 N ATOM 202 CA LEU A 15 -31.292 -2.376 -0.972 1.00 0.00 C ATOM 203 C LEU A 15 -30.012 -3.050 -1.456 1.00 0.00 C ATOM 204 O LEU A 15 -29.981 -3.646 -2.531 1.00 0.00 O ATOM 205 CB LEU A 15 -31.829 -3.101 0.263 1.00 0.00 C ATOM 206 CG LEU A 15 -31.863 -4.628 0.183 1.00 0.00 C ATOM 207 CD1 LEU A 15 -32.207 -5.225 1.539 1.00 0.00 C ATOM 208 CD2 LEU A 15 -32.860 -5.084 -0.872 1.00 0.00 C ATOM 0 H LEU A 15 -32.983 -3.117 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 15 -31.059 -1.344 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -31.220 -2.816 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -32.841 -2.745 0.458 1.00 0.00 H new ATOM 0 HG LEU A 15 -30.873 -4.981 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -32.227 -6.312 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -31.455 -4.926 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -33.186 -4.866 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -32.871 -6.173 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -33.855 -4.721 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -32.569 -4.685 -1.844 1.00 0.00 H new ATOM 220 N GLY A 16 -28.958 -2.952 -0.652 1.00 0.00 N ATOM 221 CA GLY A 16 -27.690 -3.559 -1.013 1.00 0.00 C ATOM 222 C GLY A 16 -27.853 -4.968 -1.546 1.00 0.00 C ATOM 223 O GLY A 16 -27.338 -5.299 -2.613 1.00 0.00 O ATOM 0 H GLY A 16 -28.959 -2.463 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -27.197 -2.944 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -27.038 -3.577 -0.140 1.00 0.00 H new ATOM 227 N ASN A 17 -28.570 -5.802 -0.799 1.00 0.00 N ATOM 228 CA ASN A 17 -28.797 -7.186 -1.202 1.00 0.00 C ATOM 229 C ASN A 17 -29.018 -7.285 -2.708 1.00 0.00 C ATOM 230 O ASN A 17 -29.485 -6.339 -3.341 1.00 0.00 O ATOM 231 CB ASN A 17 -30.003 -7.763 -0.459 1.00 0.00 C ATOM 232 CG ASN A 17 -29.647 -8.251 0.932 1.00 0.00 C ATOM 233 OD1 ASN A 17 -29.290 -7.461 1.806 1.00 0.00 O ATOM 234 ND2 ASN A 17 -29.742 -9.558 1.142 1.00 0.00 N ATOM 0 H ASN A 17 -29.003 -5.544 0.088 1.00 0.00 H new ATOM 0 HA ASN A 17 -27.909 -7.764 -0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -30.779 -7.002 -0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -30.420 -8.589 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -29.515 -9.945 2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -30.042 -10.175 0.388 1.00 0.00 H new ATOM 241 N GLY A 18 -28.678 -8.438 -3.276 1.00 0.00 N ATOM 242 CA GLY A 18 -28.847 -8.640 -4.703 1.00 0.00 C ATOM 243 C GLY A 18 -27.665 -9.351 -5.332 1.00 0.00 C ATOM 244 O GLY A 18 -26.849 -9.968 -4.647 1.00 0.00 O ATOM 0 H GLY A 18 -28.289 -9.236 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -29.752 -9.221 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -28.987 -7.675 -5.189 1.00 0.00 H new ATOM 248 N PRO A 19 -27.563 -9.272 -6.667 1.00 0.00 N ATOM 249 CA PRO A 19 -26.476 -9.908 -7.417 1.00 0.00 C ATOM 250 C PRO A 19 -25.131 -9.232 -7.176 1.00 0.00 C ATOM 251 O PRO A 19 -24.686 -8.411 -7.978 1.00 0.00 O ATOM 252 CB PRO A 19 -26.906 -9.738 -8.877 1.00 0.00 C ATOM 253 CG PRO A 19 -27.793 -8.541 -8.874 1.00 0.00 C ATOM 254 CD PRO A 19 -28.500 -8.553 -7.547 1.00 0.00 C ATOM 0 HA PRO A 19 -26.329 -10.946 -7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -26.045 -9.591 -9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.433 -10.620 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -27.214 -7.626 -8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -28.507 -8.582 -9.697 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -28.695 -7.543 -7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -29.463 -9.061 -7.609 1.00 0.00 H new ATOM 262 N ARG A 20 -24.488 -9.582 -6.067 1.00 0.00 N ATOM 263 CA ARG A 20 -23.194 -9.008 -5.720 1.00 0.00 C ATOM 264 C ARG A 20 -22.308 -10.042 -5.030 1.00 0.00 C ATOM 265 O ARG A 20 -22.762 -10.777 -4.152 1.00 0.00 O ATOM 266 CB ARG A 20 -23.379 -7.791 -4.811 1.00 0.00 C ATOM 267 CG ARG A 20 -22.151 -6.899 -4.732 1.00 0.00 C ATOM 268 CD ARG A 20 -22.038 -5.997 -5.951 1.00 0.00 C ATOM 269 NE ARG A 20 -21.373 -6.665 -7.066 1.00 0.00 N ATOM 270 CZ ARG A 20 -21.293 -6.151 -8.288 1.00 0.00 C ATOM 271 NH1 ARG A 20 -21.833 -4.969 -8.551 1.00 0.00 N ATOM 272 NH2 ARG A 20 -20.670 -6.819 -9.251 1.00 0.00 N ATOM 0 H ARG A 20 -24.842 -10.261 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 20 -22.705 -8.693 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -24.223 -7.203 -5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -23.635 -8.133 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -22.201 -6.289 -3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.256 -7.516 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.034 -5.679 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.484 -5.096 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.947 -7.576 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.312 -4.452 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.770 -4.577 -9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.252 -7.728 -9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.609 -6.423 -10.189 1.00 0.00 H new ATOM 286 N LEU A 21 -21.043 -10.092 -5.433 1.00 0.00 N ATOM 287 CA LEU A 21 -20.093 -11.035 -4.854 1.00 0.00 C ATOM 288 C LEU A 21 -19.913 -10.780 -3.361 1.00 0.00 C ATOM 289 O LEU A 21 -19.847 -9.632 -2.922 1.00 0.00 O ATOM 290 CB LEU A 21 -18.744 -10.932 -5.567 1.00 0.00 C ATOM 291 CG LEU A 21 -18.584 -11.781 -6.828 1.00 0.00 C ATOM 292 CD1 LEU A 21 -18.861 -13.245 -6.525 1.00 0.00 C ATOM 293 CD2 LEU A 21 -19.508 -11.279 -7.929 1.00 0.00 C ATOM 0 H LEU A 21 -20.652 -9.491 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 21 -20.491 -12.041 -4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -18.575 -9.888 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.961 -11.213 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.555 -11.691 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.742 -13.834 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.160 -13.599 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -19.880 -13.353 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -19.381 -11.895 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -20.543 -11.339 -7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -19.263 -10.244 -8.166 1.00 0.00 H new ATOM 305 N GLN A 22 -19.833 -11.858 -2.587 1.00 0.00 N ATOM 306 CA GLN A 22 -19.659 -11.750 -1.143 1.00 0.00 C ATOM 307 C GLN A 22 -18.215 -12.036 -0.746 1.00 0.00 C ATOM 308 O GLN A 22 -17.884 -13.146 -0.330 1.00 0.00 O ATOM 309 CB GLN A 22 -20.600 -12.716 -0.421 1.00 0.00 C ATOM 310 CG GLN A 22 -22.067 -12.332 -0.530 1.00 0.00 C ATOM 311 CD GLN A 22 -22.981 -13.309 0.182 1.00 0.00 C ATOM 312 OE1 GLN A 22 -23.443 -13.048 1.293 1.00 0.00 O ATOM 313 NE2 GLN A 22 -23.247 -14.443 -0.455 1.00 0.00 N ATOM 0 H GLN A 22 -19.886 -12.815 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 22 -19.902 -10.729 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -20.464 -13.717 -0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -20.322 -12.762 0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -22.210 -11.336 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -22.347 -12.279 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -22.843 -14.618 -1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -23.856 -15.139 -0.025 1.00 0.00 H new ATOM 322 N ASN A 23 -17.359 -11.028 -0.878 1.00 0.00 N ATOM 323 CA ASN A 23 -15.949 -11.172 -0.534 1.00 0.00 C ATOM 324 C ASN A 23 -15.276 -9.808 -0.415 1.00 0.00 C ATOM 325 O ASN A 23 -15.517 -8.913 -1.225 1.00 0.00 O ATOM 326 CB ASN A 23 -15.230 -12.019 -1.585 1.00 0.00 C ATOM 327 CG ASN A 23 -15.761 -11.777 -2.985 1.00 0.00 C ATOM 328 OD1 ASN A 23 -16.245 -12.697 -3.645 1.00 0.00 O ATOM 329 ND2 ASN A 23 -15.674 -10.534 -3.444 1.00 0.00 N ATOM 0 H ASN A 23 -17.617 -10.103 -1.221 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.886 -11.674 0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.163 -11.795 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.340 -13.074 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.016 -10.310 -4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.265 -9.803 -2.862 1.00 0.00 H new ATOM 336 N SER A 24 -14.429 -9.658 0.599 1.00 0.00 N ATOM 337 CA SER A 24 -13.723 -8.403 0.826 1.00 0.00 C ATOM 338 C SER A 24 -12.218 -8.636 0.922 1.00 0.00 C ATOM 339 O SER A 24 -11.766 -9.611 1.522 1.00 0.00 O ATOM 340 CB SER A 24 -14.229 -7.732 2.104 1.00 0.00 C ATOM 341 OG SER A 24 -13.582 -6.490 2.319 1.00 0.00 O ATOM 0 H SER A 24 -14.215 -10.390 1.276 1.00 0.00 H new ATOM 0 HA SER A 24 -13.918 -7.747 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.306 -7.577 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.055 -8.389 2.956 1.00 0.00 H new ATOM 0 HG SER A 24 -13.924 -6.081 3.141 1.00 0.00 H new ATOM 347 N THR A 25 -11.447 -7.733 0.325 1.00 0.00 N ATOM 348 CA THR A 25 -9.993 -7.839 0.341 1.00 0.00 C ATOM 349 C THR A 25 -9.368 -6.707 1.149 1.00 0.00 C ATOM 350 O THR A 25 -9.656 -5.533 0.916 1.00 0.00 O ATOM 351 CB THR A 25 -9.412 -7.818 -1.085 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.984 -6.738 -1.831 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.683 -9.133 -1.799 1.00 0.00 C ATOM 0 H THR A 25 -11.805 -6.920 -0.176 1.00 0.00 H new ATOM 0 HA THR A 25 -9.751 -8.793 0.810 1.00 0.00 H new ATOM 0 HB THR A 25 -8.334 -7.678 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.184 -5.993 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.263 -9.094 -2.804 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.222 -9.950 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.759 -9.298 -1.861 1.00 0.00 H new ATOM 361 N TYR A 26 -8.512 -7.067 2.098 1.00 0.00 N ATOM 362 CA TYR A 26 -7.847 -6.081 2.942 1.00 0.00 C ATOM 363 C TYR A 26 -6.681 -5.431 2.205 1.00 0.00 C ATOM 364 O TYR A 26 -5.710 -6.097 1.847 1.00 0.00 O ATOM 365 CB TYR A 26 -7.349 -6.735 4.232 1.00 0.00 C ATOM 366 CG TYR A 26 -8.449 -7.034 5.224 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.626 -7.654 4.820 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.314 -6.696 6.565 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.635 -7.929 5.723 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.317 -6.968 7.475 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.476 -7.585 7.049 1.00 0.00 C ATOM 372 OH TYR A 26 -11.478 -7.856 7.952 1.00 0.00 O ATOM 0 H TYR A 26 -8.262 -8.034 2.303 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.572 -5.307 3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.834 -7.663 3.983 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.616 -6.079 4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.754 -7.925 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.409 -6.212 6.902 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.543 -8.411 5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.195 -6.699 8.514 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.089 -8.231 8.770 1.00 0.00 H new ATOM 382 N GLN A 27 -6.785 -4.124 1.982 1.00 0.00 N ATOM 383 CA GLN A 27 -5.739 -3.383 1.287 1.00 0.00 C ATOM 384 C GLN A 27 -4.698 -2.860 2.271 1.00 0.00 C ATOM 385 O GLN A 27 -4.922 -1.862 2.957 1.00 0.00 O ATOM 386 CB GLN A 27 -6.346 -2.219 0.501 1.00 0.00 C ATOM 387 CG GLN A 27 -6.713 -2.577 -0.930 1.00 0.00 C ATOM 388 CD GLN A 27 -5.609 -2.250 -1.915 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.821 -1.517 -2.882 1.00 0.00 O ATOM 390 NE2 GLN A 27 -4.421 -2.793 -1.676 1.00 0.00 N ATOM 0 H GLN A 27 -7.582 -3.558 2.272 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.246 -4.063 0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.238 -1.868 1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.637 -1.391 0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.942 -3.641 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.618 -2.041 -1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.289 -3.394 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.640 -2.609 -2.306 1.00 0.00 H new ATOM 399 N CYS A 28 -3.557 -3.539 2.335 1.00 0.00 N ATOM 400 CA CYS A 28 -2.481 -3.144 3.235 1.00 0.00 C ATOM 401 C CYS A 28 -2.081 -1.690 2.999 1.00 0.00 C ATOM 402 O CYS A 28 -2.331 -1.130 1.932 1.00 0.00 O ATOM 403 CB CYS A 28 -1.267 -4.055 3.043 1.00 0.00 C ATOM 404 SG CYS A 28 -0.116 -4.068 4.454 1.00 0.00 S ATOM 0 H CYS A 28 -3.354 -4.366 1.773 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.843 -3.242 4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.615 -5.072 2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.727 -3.739 2.150 1.00 0.00 H new ATOM 409 N LYS A 29 -1.458 -1.084 4.004 1.00 0.00 N ATOM 410 CA LYS A 29 -1.021 0.304 3.908 1.00 0.00 C ATOM 411 C LYS A 29 0.501 0.399 3.944 1.00 0.00 C ATOM 412 O LYS A 29 1.064 1.494 3.986 1.00 0.00 O ATOM 413 CB LYS A 29 -1.621 1.129 5.049 1.00 0.00 C ATOM 414 CG LYS A 29 -1.841 0.334 6.324 1.00 0.00 C ATOM 415 CD LYS A 29 -1.663 1.201 7.559 1.00 0.00 C ATOM 416 CE LYS A 29 -2.533 0.718 8.710 1.00 0.00 C ATOM 417 NZ LYS A 29 -2.472 1.641 9.877 1.00 0.00 N ATOM 0 H LYS A 29 -1.244 -1.532 4.895 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.370 0.704 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.961 1.970 5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.573 1.547 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.844 -0.093 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.140 -0.500 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.617 1.191 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.916 2.234 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.565 0.628 8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.210 -0.277 9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.078 1.277 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.491 1.708 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.804 2.584 9.591 1.00 0.00 H new ATOM 431 N HIS A 30 1.162 -0.754 3.927 1.00 0.00 N ATOM 432 CA HIS A 30 2.620 -0.799 3.956 1.00 0.00 C ATOM 433 C HIS A 30 3.179 -1.171 2.586 1.00 0.00 C ATOM 434 O HIS A 30 4.197 -0.632 2.152 1.00 0.00 O ATOM 435 CB HIS A 30 3.099 -1.804 5.005 1.00 0.00 C ATOM 436 CG HIS A 30 3.232 -1.218 6.377 1.00 0.00 C ATOM 437 ND1 HIS A 30 2.185 -0.619 7.044 1.00 0.00 N ATOM 438 CD2 HIS A 30 4.298 -1.145 7.208 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.602 -0.200 8.226 1.00 0.00 C ATOM 440 NE2 HIS A 30 3.880 -0.508 8.351 1.00 0.00 N ATOM 0 H HIS A 30 0.712 -1.669 3.893 1.00 0.00 H new ATOM 0 HA HIS A 30 2.985 0.193 4.221 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.400 -2.640 5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.063 -2.208 4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.292 -1.518 7.009 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.000 0.308 8.964 1.00 0.00 H new ATOM 0 HE2 HIS A 30 4.462 -0.306 9.164 1.00 0.00 H new ATOM 448 N CYS A 31 2.507 -2.097 1.910 1.00 0.00 N ATOM 449 CA CYS A 31 2.936 -2.543 0.589 1.00 0.00 C ATOM 450 C CYS A 31 1.796 -2.433 -0.419 1.00 0.00 C ATOM 451 O CYS A 31 1.991 -2.639 -1.617 1.00 0.00 O ATOM 452 CB CYS A 31 3.437 -3.987 0.654 1.00 0.00 C ATOM 453 SG CYS A 31 2.259 -5.150 1.413 1.00 0.00 S ATOM 0 H CYS A 31 1.663 -2.553 2.255 1.00 0.00 H new ATOM 0 HA CYS A 31 3.750 -1.897 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.666 -4.326 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.370 -4.012 1.218 1.00 0.00 H new ATOM 458 N ASP A 32 0.607 -2.106 0.074 1.00 0.00 N ATOM 459 CA ASP A 32 -0.565 -1.967 -0.783 1.00 0.00 C ATOM 460 C ASP A 32 -0.939 -3.306 -1.412 1.00 0.00 C ATOM 461 O ASP A 32 -1.196 -3.388 -2.613 1.00 0.00 O ATOM 462 CB ASP A 32 -0.303 -0.931 -1.877 1.00 0.00 C ATOM 463 CG ASP A 32 -0.735 0.464 -1.468 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.787 0.735 -0.250 1.00 0.00 O ATOM 465 OD2 ASP A 32 -1.023 1.283 -2.366 1.00 0.00 O ATOM 0 H ASP A 32 0.429 -1.932 1.063 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.398 -1.630 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.760 -0.923 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.834 -1.222 -2.783 1.00 0.00 H new ATOM 470 N SER A 33 -0.967 -4.352 -0.593 1.00 0.00 N ATOM 471 CA SER A 33 -1.305 -5.688 -1.071 1.00 0.00 C ATOM 472 C SER A 33 -2.801 -5.953 -0.928 1.00 0.00 C ATOM 473 O SER A 33 -3.569 -5.063 -0.565 1.00 0.00 O ATOM 474 CB SER A 33 -0.512 -6.744 -0.299 1.00 0.00 C ATOM 475 OG SER A 33 -0.291 -7.897 -1.093 1.00 0.00 O ATOM 0 H SER A 33 -0.760 -4.301 0.404 1.00 0.00 H new ATOM 0 HA SER A 33 -1.042 -5.747 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.444 -6.327 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.053 -7.020 0.606 1.00 0.00 H new ATOM 0 HG SER A 33 0.219 -8.556 -0.578 1.00 0.00 H new ATOM 481 N LYS A 34 -3.207 -7.185 -1.218 1.00 0.00 N ATOM 482 CA LYS A 34 -4.609 -7.571 -1.122 1.00 0.00 C ATOM 483 C LYS A 34 -4.759 -8.901 -0.391 1.00 0.00 C ATOM 484 O LYS A 34 -4.427 -9.958 -0.929 1.00 0.00 O ATOM 485 CB LYS A 34 -5.228 -7.672 -2.518 1.00 0.00 C ATOM 486 CG LYS A 34 -5.701 -6.339 -3.072 1.00 0.00 C ATOM 487 CD LYS A 34 -6.539 -6.522 -4.326 1.00 0.00 C ATOM 488 CE LYS A 34 -6.552 -5.261 -5.177 1.00 0.00 C ATOM 489 NZ LYS A 34 -5.417 -5.232 -6.142 1.00 0.00 N ATOM 0 H LYS A 34 -2.584 -7.933 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.133 -6.803 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.495 -8.100 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.072 -8.361 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.286 -5.817 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.839 -5.711 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.144 -7.353 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.560 -6.785 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.494 -5.200 -5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.501 -4.385 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.461 -4.358 -6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.517 -5.264 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.479 -6.054 -6.776 1.00 0.00 H new ATOM 503 N LEU A 35 -5.261 -8.842 0.838 1.00 0.00 N ATOM 504 CA LEU A 35 -5.456 -10.043 1.643 1.00 0.00 C ATOM 505 C LEU A 35 -6.935 -10.408 1.726 1.00 0.00 C ATOM 506 O LEU A 35 -7.805 -9.569 1.492 1.00 0.00 O ATOM 507 CB LEU A 35 -4.890 -9.835 3.049 1.00 0.00 C ATOM 508 CG LEU A 35 -3.378 -10.009 3.197 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.641 -9.172 2.163 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.933 -9.637 4.603 1.00 0.00 C ATOM 0 H LEU A 35 -5.540 -7.976 1.298 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.925 -10.864 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.154 -8.831 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.384 -10.534 3.725 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.134 -11.058 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.566 -9.308 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.937 -9.487 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.891 -8.120 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.854 -9.767 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.190 -8.597 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.435 -10.280 5.326 1.00 0.00 H new ATOM 522 N GLN A 36 -7.211 -11.664 2.063 1.00 0.00 N ATOM 523 CA GLN A 36 -8.584 -12.139 2.179 1.00 0.00 C ATOM 524 C GLN A 36 -9.297 -11.465 3.347 1.00 0.00 C ATOM 525 O GLN A 36 -10.315 -10.797 3.164 1.00 0.00 O ATOM 526 CB GLN A 36 -8.607 -13.658 2.360 1.00 0.00 C ATOM 527 CG GLN A 36 -8.265 -14.426 1.094 1.00 0.00 C ATOM 528 CD GLN A 36 -6.781 -14.702 0.962 1.00 0.00 C ATOM 529 OE1 GLN A 36 -6.138 -15.171 1.902 1.00 0.00 O ATOM 530 NE2 GLN A 36 -6.226 -14.412 -0.209 1.00 0.00 N ATOM 0 H GLN A 36 -6.502 -12.370 2.260 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.109 -11.882 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.901 -13.933 3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.597 -13.960 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.808 -15.371 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.604 -13.859 0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.796 -14.025 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.230 -14.577 -0.356 1.00 0.00 H new ATOM 539 N SER A 37 -8.756 -11.645 4.548 1.00 0.00 N ATOM 540 CA SER A 37 -9.342 -11.057 5.746 1.00 0.00 C ATOM 541 C SER A 37 -8.276 -10.818 6.811 1.00 0.00 C ATOM 542 O SER A 37 -7.113 -11.180 6.635 1.00 0.00 O ATOM 543 CB SER A 37 -10.439 -11.968 6.302 1.00 0.00 C ATOM 544 OG SER A 37 -11.506 -12.102 5.380 1.00 0.00 O ATOM 0 H SER A 37 -7.913 -12.193 4.717 1.00 0.00 H new ATOM 0 HA SER A 37 -9.780 -10.097 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.022 -12.950 6.526 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.814 -11.560 7.240 1.00 0.00 H new ATOM 0 HG SER A 37 -12.193 -12.690 5.758 1.00 0.00 H new ATOM 550 N THR A 38 -8.682 -10.204 7.919 1.00 0.00 N ATOM 551 CA THR A 38 -7.764 -9.914 9.012 1.00 0.00 C ATOM 552 C THR A 38 -6.852 -11.103 9.294 1.00 0.00 C ATOM 553 O THR A 38 -5.629 -10.969 9.310 1.00 0.00 O ATOM 554 CB THR A 38 -8.523 -9.547 10.301 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.478 -8.515 10.030 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.560 -9.082 11.383 1.00 0.00 C ATOM 0 H THR A 38 -9.641 -9.898 8.082 1.00 0.00 H new ATOM 0 HA THR A 38 -7.160 -9.062 8.700 1.00 0.00 H new ATOM 0 HB THR A 38 -9.041 -10.437 10.657 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.313 -8.143 9.139 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.119 -8.828 12.283 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.853 -9.880 11.608 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.017 -8.204 11.034 1.00 0.00 H new ATOM 564 N ALA A 39 -7.455 -12.266 9.516 1.00 0.00 N ATOM 565 CA ALA A 39 -6.697 -13.479 9.794 1.00 0.00 C ATOM 566 C ALA A 39 -5.403 -13.515 8.988 1.00 0.00 C ATOM 567 O ALA A 39 -4.368 -13.965 9.478 1.00 0.00 O ATOM 568 CB ALA A 39 -7.541 -14.710 9.497 1.00 0.00 C ATOM 0 H ALA A 39 -8.467 -12.394 9.509 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.435 -13.479 10.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.961 -15.608 9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.434 -14.698 10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.833 -14.706 8.447 1.00 0.00 H new ATOM 574 N GLU A 40 -5.470 -13.038 7.748 1.00 0.00 N ATOM 575 CA GLU A 40 -4.303 -13.018 6.874 1.00 0.00 C ATOM 576 C GLU A 40 -3.403 -11.829 7.195 1.00 0.00 C ATOM 577 O GLU A 40 -2.177 -11.940 7.175 1.00 0.00 O ATOM 578 CB GLU A 40 -4.738 -12.962 5.408 1.00 0.00 C ATOM 579 CG GLU A 40 -5.177 -14.306 4.851 1.00 0.00 C ATOM 580 CD GLU A 40 -4.019 -15.116 4.302 1.00 0.00 C ATOM 581 OE1 GLU A 40 -3.146 -14.526 3.631 1.00 0.00 O ATOM 582 OE2 GLU A 40 -3.985 -16.341 4.543 1.00 0.00 O ATOM 0 H GLU A 40 -6.319 -12.661 7.327 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.738 -13.935 7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.559 -12.251 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.912 -12.582 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.674 -14.876 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.910 -14.146 4.061 1.00 0.00 H new ATOM 589 N LEU A 41 -4.021 -10.690 7.492 1.00 0.00 N ATOM 590 CA LEU A 41 -3.277 -9.478 7.817 1.00 0.00 C ATOM 591 C LEU A 41 -2.460 -9.667 9.092 1.00 0.00 C ATOM 592 O LEU A 41 -1.320 -9.211 9.185 1.00 0.00 O ATOM 593 CB LEU A 41 -4.234 -8.297 7.981 1.00 0.00 C ATOM 594 CG LEU A 41 -3.626 -6.908 7.784 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.154 -6.730 6.350 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.633 -5.828 8.154 1.00 0.00 C ATOM 0 H LEU A 41 -5.035 -10.581 7.514 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.592 -9.270 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.053 -8.417 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.668 -8.343 8.980 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.763 -6.814 8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.724 -5.736 6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.399 -7.482 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.000 -6.845 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.183 -4.846 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.515 -5.921 7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.922 -5.943 9.199 1.00 0.00 H new ATOM 608 N THR A 42 -3.051 -10.343 10.072 1.00 0.00 N ATOM 609 CA THR A 42 -2.378 -10.593 11.341 1.00 0.00 C ATOM 610 C THR A 42 -1.019 -11.248 11.124 1.00 0.00 C ATOM 611 O THR A 42 -0.071 -10.994 11.867 1.00 0.00 O ATOM 612 CB THR A 42 -3.228 -11.492 12.259 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.515 -10.902 12.469 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.537 -11.703 13.599 1.00 0.00 C ATOM 0 H THR A 42 -3.994 -10.727 10.012 1.00 0.00 H new ATOM 0 HA THR A 42 -2.238 -9.624 11.821 1.00 0.00 H new ATOM 0 HB THR A 42 -3.348 -12.460 11.772 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.049 -11.481 13.052 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.155 -12.341 14.231 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.570 -12.179 13.439 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.390 -10.740 14.088 1.00 0.00 H new ATOM 622 N SER A 43 -0.930 -12.090 10.099 1.00 0.00 N ATOM 623 CA SER A 43 0.313 -12.784 9.786 1.00 0.00 C ATOM 624 C SER A 43 1.166 -11.963 8.823 1.00 0.00 C ATOM 625 O SER A 43 2.392 -11.936 8.929 1.00 0.00 O ATOM 626 CB SER A 43 0.017 -14.156 9.179 1.00 0.00 C ATOM 627 OG SER A 43 1.207 -14.785 8.734 1.00 0.00 O ATOM 0 H SER A 43 -1.704 -12.308 9.472 1.00 0.00 H new ATOM 0 HA SER A 43 0.869 -12.917 10.714 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.476 -14.786 9.919 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.674 -14.046 8.343 1.00 0.00 H new ATOM 0 HG SER A 43 0.991 -15.661 8.352 1.00 0.00 H new ATOM 633 N HIS A 44 0.506 -11.293 7.883 1.00 0.00 N ATOM 634 CA HIS A 44 1.202 -10.470 6.900 1.00 0.00 C ATOM 635 C HIS A 44 1.972 -9.343 7.583 1.00 0.00 C ATOM 636 O HIS A 44 3.179 -9.193 7.385 1.00 0.00 O ATOM 637 CB HIS A 44 0.208 -9.888 5.895 1.00 0.00 C ATOM 638 CG HIS A 44 0.833 -8.949 4.909 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.618 -9.373 3.859 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.783 -7.599 4.818 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.026 -8.326 3.165 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.532 -7.237 3.726 1.00 0.00 N ATOM 0 H HIS A 44 -0.509 -11.304 7.781 1.00 0.00 H new ATOM 0 HA HIS A 44 1.913 -11.104 6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.269 -10.705 5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.578 -9.362 6.437 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.848 -10.344 3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.253 -6.931 5.481 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.656 -8.355 2.288 1.00 0.00 H new ATOM 650 N LEU A 45 1.267 -8.554 8.385 1.00 0.00 N ATOM 651 CA LEU A 45 1.884 -7.440 9.097 1.00 0.00 C ATOM 652 C LEU A 45 3.108 -7.904 9.881 1.00 0.00 C ATOM 653 O LEU A 45 4.128 -7.218 9.922 1.00 0.00 O ATOM 654 CB LEU A 45 0.873 -6.792 10.045 1.00 0.00 C ATOM 655 CG LEU A 45 -0.096 -5.793 9.412 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.141 -5.349 10.424 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.659 -4.593 8.861 1.00 0.00 C ATOM 0 H LEU A 45 0.268 -8.664 8.559 1.00 0.00 H new ATOM 0 HA LEU A 45 2.206 -6.704 8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.291 -7.582 10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.422 -6.283 10.837 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.607 -6.286 8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.822 -4.638 9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.703 -6.216 10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.648 -4.874 11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.047 -3.893 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.197 -4.099 9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.368 -4.926 8.103 1.00 0.00 H new ATOM 669 N ASN A 46 2.998 -9.076 10.499 1.00 0.00 N ATOM 670 CA ASN A 46 4.096 -9.633 11.280 1.00 0.00 C ATOM 671 C ASN A 46 5.387 -9.650 10.468 1.00 0.00 C ATOM 672 O ASN A 46 6.474 -9.438 11.006 1.00 0.00 O ATOM 673 CB ASN A 46 3.753 -11.051 11.742 1.00 0.00 C ATOM 674 CG ASN A 46 2.747 -11.061 12.878 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.597 -10.074 13.598 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.052 -12.181 13.042 1.00 0.00 N ATOM 0 H ASN A 46 2.160 -9.657 10.474 1.00 0.00 H new ATOM 0 HA ASN A 46 4.245 -8.999 12.154 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.353 -11.618 10.901 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.664 -11.556 12.062 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.361 -12.247 13.789 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.210 -12.975 12.421 1.00 0.00 H new ATOM 683 N ILE A 47 5.260 -9.904 9.170 1.00 0.00 N ATOM 684 CA ILE A 47 6.416 -9.947 8.283 1.00 0.00 C ATOM 685 C ILE A 47 7.093 -8.583 8.197 1.00 0.00 C ATOM 686 O ILE A 47 8.292 -8.489 7.929 1.00 0.00 O ATOM 687 CB ILE A 47 6.022 -10.403 6.866 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.360 -11.781 6.916 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.244 -10.429 5.959 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.587 -12.125 5.662 1.00 0.00 C ATOM 0 H ILE A 47 4.368 -10.083 8.709 1.00 0.00 H new ATOM 0 HA ILE A 47 7.113 -10.670 8.707 1.00 0.00 H new ATOM 0 HB ILE A 47 5.305 -9.691 6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.127 -12.538 7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.686 -11.820 7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.949 -10.753 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.677 -9.430 5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.982 -11.122 6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.145 -13.116 5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.797 -11.389 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.261 -12.118 4.806 1.00 0.00 H new ATOM 702 N HIS A 48 6.318 -7.528 8.427 1.00 0.00 N ATOM 703 CA HIS A 48 6.844 -6.168 8.377 1.00 0.00 C ATOM 704 C HIS A 48 7.650 -5.851 9.633 1.00 0.00 C ATOM 705 O HIS A 48 8.877 -5.765 9.589 1.00 0.00 O ATOM 706 CB HIS A 48 5.702 -5.163 8.223 1.00 0.00 C ATOM 707 CG HIS A 48 5.036 -5.214 6.883 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.710 -5.515 5.718 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.748 -5.003 6.526 1.00 0.00 C ATOM 710 CE1 HIS A 48 4.866 -5.485 4.703 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.668 -5.176 5.166 1.00 0.00 N ATOM 0 H HIS A 48 5.324 -7.588 8.650 1.00 0.00 H new ATOM 0 HA HIS A 48 7.505 -6.091 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.958 -5.350 8.997 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.089 -4.158 8.389 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.705 -5.728 5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.934 -4.746 7.188 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.113 -5.680 3.670 1.00 0.00 H new ATOM 719 N ASN A 49 6.952 -5.678 10.751 1.00 0.00 N ATOM 720 CA ASN A 49 7.604 -5.369 12.019 1.00 0.00 C ATOM 721 C ASN A 49 8.933 -6.108 12.142 1.00 0.00 C ATOM 722 O ASN A 49 9.993 -5.489 12.225 1.00 0.00 O ATOM 723 CB ASN A 49 6.691 -5.741 13.189 1.00 0.00 C ATOM 724 CG ASN A 49 5.709 -6.840 12.830 1.00 0.00 C ATOM 725 OD1 ASN A 49 5.963 -8.019 13.077 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.581 -6.457 12.244 1.00 0.00 N ATOM 0 H ASN A 49 5.936 -5.746 10.805 1.00 0.00 H new ATOM 0 HA ASN A 49 7.801 -4.297 12.046 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.300 -6.064 14.033 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.141 -4.857 13.512 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.882 -7.152 11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.413 -5.468 12.059 1.00 0.00 H new ATOM 733 N GLU A 50 8.867 -7.436 12.152 1.00 0.00 N ATOM 734 CA GLU A 50 10.065 -8.259 12.265 1.00 0.00 C ATOM 735 C GLU A 50 11.247 -7.599 11.559 1.00 0.00 C ATOM 736 O GLU A 50 12.355 -7.556 12.091 1.00 0.00 O ATOM 737 CB GLU A 50 9.815 -9.648 11.674 1.00 0.00 C ATOM 738 CG GLU A 50 9.410 -9.622 10.209 1.00 0.00 C ATOM 739 CD GLU A 50 9.291 -11.011 9.613 1.00 0.00 C ATOM 740 OE1 GLU A 50 8.994 -11.958 10.370 1.00 0.00 O ATOM 741 OE2 GLU A 50 9.497 -11.151 8.389 1.00 0.00 O ATOM 0 H GLU A 50 7.997 -7.964 12.083 1.00 0.00 H new ATOM 0 HA GLU A 50 10.306 -8.361 13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.719 -10.248 11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.033 -10.143 12.250 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.456 -9.104 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.144 -9.049 9.643 1.00 0.00 H new ATOM 748 N GLU A 51 11.000 -7.088 10.356 1.00 0.00 N ATOM 749 CA GLU A 51 12.043 -6.432 9.577 1.00 0.00 C ATOM 750 C GLU A 51 12.428 -5.093 10.200 1.00 0.00 C ATOM 751 O GLU A 51 13.609 -4.794 10.375 1.00 0.00 O ATOM 752 CB GLU A 51 11.577 -6.221 8.135 1.00 0.00 C ATOM 753 CG GLU A 51 11.867 -7.400 7.222 1.00 0.00 C ATOM 754 CD GLU A 51 13.322 -7.466 6.799 1.00 0.00 C ATOM 755 OE1 GLU A 51 14.161 -6.811 7.452 1.00 0.00 O ATOM 756 OE2 GLU A 51 13.621 -8.174 5.815 1.00 0.00 O ATOM 0 H GLU A 51 10.088 -7.116 9.901 1.00 0.00 H new ATOM 0 HA GLU A 51 12.921 -7.078 9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.504 -6.027 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.062 -5.332 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.599 -8.325 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.237 -7.331 6.335 1.00 0.00 H new ATOM 763 N PHE A 52 11.422 -4.292 10.534 1.00 0.00 N ATOM 764 CA PHE A 52 11.653 -2.984 11.136 1.00 0.00 C ATOM 765 C PHE A 52 12.615 -3.092 12.316 1.00 0.00 C ATOM 766 O PHE A 52 13.536 -2.287 12.454 1.00 0.00 O ATOM 767 CB PHE A 52 10.330 -2.370 11.597 1.00 0.00 C ATOM 768 CG PHE A 52 10.363 -0.871 11.686 1.00 0.00 C ATOM 769 CD1 PHE A 52 10.938 -0.241 12.779 1.00 0.00 C ATOM 770 CD2 PHE A 52 9.821 -0.092 10.677 1.00 0.00 C ATOM 771 CE1 PHE A 52 10.969 1.138 12.863 1.00 0.00 C ATOM 772 CE2 PHE A 52 9.850 1.288 10.756 1.00 0.00 C ATOM 773 CZ PHE A 52 10.426 1.903 11.850 1.00 0.00 C ATOM 0 H PHE A 52 10.438 -4.526 10.398 1.00 0.00 H new ATOM 0 HA PHE A 52 12.101 -2.338 10.381 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.541 -2.668 10.907 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.070 -2.778 12.574 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.366 -0.834 13.573 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.371 -0.568 9.819 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.418 1.617 13.721 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.423 1.884 9.963 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.452 2.981 11.913 1.00 0.00 H new ATOM 783 N GLN A 53 12.393 -4.091 13.164 1.00 0.00 N ATOM 784 CA GLN A 53 13.239 -4.303 14.332 1.00 0.00 C ATOM 785 C GLN A 53 14.630 -4.772 13.920 1.00 0.00 C ATOM 786 O GLN A 53 15.639 -4.282 14.428 1.00 0.00 O ATOM 787 CB GLN A 53 12.600 -5.328 15.272 1.00 0.00 C ATOM 788 CG GLN A 53 11.602 -4.722 16.245 1.00 0.00 C ATOM 789 CD GLN A 53 11.436 -5.551 17.502 1.00 0.00 C ATOM 790 OE1 GLN A 53 10.360 -6.089 17.768 1.00 0.00 O ATOM 791 NE2 GLN A 53 12.503 -5.661 18.285 1.00 0.00 N ATOM 0 H GLN A 53 11.635 -4.766 13.064 1.00 0.00 H new ATOM 0 HA GLN A 53 13.337 -3.352 14.855 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.097 -6.091 14.677 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.386 -5.830 15.836 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.929 -3.718 16.517 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.635 -4.620 15.752 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.375 -5.199 18.027 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.451 -6.208 19.145 1.00 0.00 H new ATOM 800 N LYS A 54 14.678 -5.725 12.994 1.00 0.00 N ATOM 801 CA LYS A 54 15.945 -6.260 12.511 1.00 0.00 C ATOM 802 C LYS A 54 16.844 -5.144 11.991 1.00 0.00 C ATOM 803 O LYS A 54 17.998 -5.020 12.404 1.00 0.00 O ATOM 804 CB LYS A 54 15.699 -7.289 11.405 1.00 0.00 C ATOM 805 CG LYS A 54 15.312 -8.662 11.926 1.00 0.00 C ATOM 806 CD LYS A 54 16.497 -9.373 12.558 1.00 0.00 C ATOM 807 CE LYS A 54 16.059 -10.609 13.328 1.00 0.00 C ATOM 808 NZ LYS A 54 15.603 -10.272 14.705 1.00 0.00 N ATOM 0 H LYS A 54 13.853 -6.142 12.563 1.00 0.00 H new ATOM 0 HA LYS A 54 16.447 -6.747 13.347 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.909 -6.923 10.749 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.600 -7.381 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.513 -8.561 12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.919 -9.265 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.207 -9.659 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.017 -8.690 13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.252 -11.105 12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.887 -11.315 13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.313 -11.141 15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.381 -9.821 15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.796 -9.618 14.653 1.00 0.00 H new ATOM 822 N ARG A 55 16.310 -4.333 11.084 1.00 0.00 N ATOM 823 CA ARG A 55 17.065 -3.227 10.509 1.00 0.00 C ATOM 824 C ARG A 55 17.350 -2.158 11.560 1.00 0.00 C ATOM 825 O ARG A 55 18.497 -1.761 11.760 1.00 0.00 O ATOM 826 CB ARG A 55 16.297 -2.613 9.336 1.00 0.00 C ATOM 827 CG ARG A 55 17.159 -1.751 8.428 1.00 0.00 C ATOM 828 CD ARG A 55 18.034 -2.601 7.520 1.00 0.00 C ATOM 829 NE ARG A 55 18.819 -1.786 6.597 1.00 0.00 N ATOM 830 CZ ARG A 55 18.355 -1.336 5.436 1.00 0.00 C ATOM 831 NH1 ARG A 55 17.116 -1.621 5.059 1.00 0.00 N ATOM 832 NH2 ARG A 55 19.130 -0.600 4.651 1.00 0.00 N ATOM 0 H ARG A 55 15.357 -4.421 10.731 1.00 0.00 H new ATOM 0 HA ARG A 55 18.016 -3.618 10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 55 15.851 -3.414 8.746 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.478 -2.009 9.726 1.00 0.00 H new ATOM 0 HG2 ARG A 55 16.521 -1.108 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 55 17.787 -1.098 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 55 18.705 -3.208 8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 55 17.407 -3.289 6.953 1.00 0.00 H new ATOM 0 HE ARG A 55 19.776 -1.549 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.517 -2.187 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.762 -1.275 4.167 1.00 0.00 H new ATOM 0 HH21 ARG A 55 20.083 -0.379 4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 55 18.773 -0.255 3.760 1.00 0.00 H new ATOM 846 N ALA A 56 16.297 -1.695 12.226 1.00 0.00 N ATOM 847 CA ALA A 56 16.434 -0.674 13.257 1.00 0.00 C ATOM 848 C ALA A 56 17.423 0.406 12.831 1.00 0.00 C ATOM 849 O ALA A 56 18.249 0.855 13.626 1.00 0.00 O ATOM 850 CB ALA A 56 16.873 -1.305 14.570 1.00 0.00 C ATOM 0 H ALA A 56 15.340 -2.011 12.070 1.00 0.00 H new ATOM 0 HA ALA A 56 15.461 -0.204 13.400 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.971 -0.531 15.331 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.129 -2.035 14.889 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.833 -1.802 14.432 1.00 0.00 H new ATOM 856 N LYS A 57 17.333 0.820 11.572 1.00 0.00 N ATOM 857 CA LYS A 57 18.219 1.849 11.039 1.00 0.00 C ATOM 858 C LYS A 57 18.540 2.895 12.103 1.00 0.00 C ATOM 859 O LYS A 57 17.652 3.603 12.578 1.00 0.00 O ATOM 860 CB LYS A 57 17.578 2.522 9.824 1.00 0.00 C ATOM 861 CG LYS A 57 18.585 3.156 8.879 1.00 0.00 C ATOM 862 CD LYS A 57 18.900 4.588 9.279 1.00 0.00 C ATOM 863 CE LYS A 57 20.094 5.132 8.509 1.00 0.00 C ATOM 864 NZ LYS A 57 20.672 6.339 9.162 1.00 0.00 N ATOM 0 H LYS A 57 16.655 0.459 10.901 1.00 0.00 H new ATOM 0 HA LYS A 57 19.149 1.370 10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.993 1.783 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 57 16.883 3.288 10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 57 19.503 2.568 8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 57 18.192 3.139 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 57 18.030 5.218 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 57 19.105 4.631 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 57 20.859 4.359 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.788 5.380 7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 21.483 6.679 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 19.950 7.086 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 20.987 6.096 10.123 1.00 0.00 H new ATOM 878 N ARG A 58 19.813 2.986 12.470 1.00 0.00 N ATOM 879 CA ARG A 58 20.251 3.946 13.477 1.00 0.00 C ATOM 880 C ARG A 58 19.435 5.232 13.393 1.00 0.00 C ATOM 881 O ARG A 58 19.271 5.805 12.316 1.00 0.00 O ATOM 882 CB ARG A 58 21.738 4.260 13.301 1.00 0.00 C ATOM 883 CG ARG A 58 22.637 3.042 13.433 1.00 0.00 C ATOM 884 CD ARG A 58 22.681 2.534 14.866 1.00 0.00 C ATOM 885 NE ARG A 58 23.610 3.303 15.691 1.00 0.00 N ATOM 886 CZ ARG A 58 23.507 3.406 17.011 1.00 0.00 C ATOM 887 NH1 ARG A 58 22.522 2.793 17.653 1.00 0.00 N ATOM 888 NH2 ARG A 58 24.391 4.124 17.692 1.00 0.00 N ATOM 0 H ARG A 58 20.560 2.407 12.086 1.00 0.00 H new ATOM 0 HA ARG A 58 20.095 3.501 14.459 1.00 0.00 H new ATOM 0 HB2 ARG A 58 21.892 4.710 12.320 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.034 5.002 14.043 1.00 0.00 H new ATOM 0 HG2 ARG A 58 22.277 2.250 12.776 1.00 0.00 H new ATOM 0 HG3 ARG A 58 23.645 3.295 13.105 1.00 0.00 H new ATOM 0 HD2 ARG A 58 21.682 2.586 15.300 1.00 0.00 H new ATOM 0 HD3 ARG A 58 22.976 1.485 14.870 1.00 0.00 H new ATOM 0 HE ARG A 58 24.379 3.787 15.228 1.00 0.00 H new ATOM 0 HH11 ARG A 58 21.841 2.240 17.133 1.00 0.00 H new ATOM 0 HH12 ARG A 58 22.446 2.874 18.667 1.00 0.00 H new ATOM 0 HH21 ARG A 58 25.150 4.597 17.202 1.00 0.00 H new ATOM 0 HH22 ARG A 58 24.311 4.203 18.706 1.00 0.00 H new ATOM 902 N GLN A 59 18.925 5.679 14.536 1.00 0.00 N ATOM 903 CA GLN A 59 18.125 6.897 14.590 1.00 0.00 C ATOM 904 C GLN A 59 18.132 7.491 15.995 1.00 0.00 C ATOM 905 O GLN A 59 18.570 6.848 16.948 1.00 0.00 O ATOM 906 CB GLN A 59 16.688 6.609 14.153 1.00 0.00 C ATOM 907 CG GLN A 59 15.996 7.800 13.510 1.00 0.00 C ATOM 908 CD GLN A 59 14.784 7.400 12.692 1.00 0.00 C ATOM 909 OE1 GLN A 59 14.017 6.521 13.087 1.00 0.00 O ATOM 910 NE2 GLN A 59 14.604 8.045 11.546 1.00 0.00 N ATOM 0 H GLN A 59 19.051 5.217 15.436 1.00 0.00 H new ATOM 0 HA GLN A 59 18.567 7.622 13.906 1.00 0.00 H new ATOM 0 HB2 GLN A 59 16.691 5.778 13.448 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.111 6.289 15.020 1.00 0.00 H new ATOM 0 HG2 GLN A 59 15.690 8.500 14.287 1.00 0.00 H new ATOM 0 HG3 GLN A 59 16.705 8.325 12.869 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.265 8.767 11.258 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.805 7.819 10.954 1.00 0.00 H new ATOM 919 N GLU A 60 17.643 8.722 16.115 1.00 0.00 N ATOM 920 CA GLU A 60 17.595 9.402 17.404 1.00 0.00 C ATOM 921 C GLU A 60 16.332 9.022 18.172 1.00 0.00 C ATOM 922 O GLU A 60 15.354 9.769 18.186 1.00 0.00 O ATOM 923 CB GLU A 60 17.649 10.918 17.208 1.00 0.00 C ATOM 924 CG GLU A 60 16.647 11.437 16.191 1.00 0.00 C ATOM 925 CD GLU A 60 17.208 11.471 14.783 1.00 0.00 C ATOM 926 OE1 GLU A 60 18.160 10.711 14.506 1.00 0.00 O ATOM 927 OE2 GLU A 60 16.696 12.257 13.958 1.00 0.00 O ATOM 0 H GLU A 60 17.275 9.268 15.336 1.00 0.00 H new ATOM 0 HA GLU A 60 18.462 9.087 17.985 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.468 11.406 18.166 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.653 11.199 16.892 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.758 10.807 16.208 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.332 12.441 16.477 1.00 0.00 H new ATOM 934 N ARG A 61 16.362 7.856 18.809 1.00 0.00 N ATOM 935 CA ARG A 61 15.221 7.376 19.578 1.00 0.00 C ATOM 936 C ARG A 61 14.704 8.460 20.519 1.00 0.00 C ATOM 937 O ARG A 61 15.442 9.369 20.899 1.00 0.00 O ATOM 938 CB ARG A 61 15.606 6.131 20.380 1.00 0.00 C ATOM 939 CG ARG A 61 16.417 6.438 21.628 1.00 0.00 C ATOM 940 CD ARG A 61 17.891 6.621 21.304 1.00 0.00 C ATOM 941 NE ARG A 61 18.480 5.413 20.731 1.00 0.00 N ATOM 942 CZ ARG A 61 19.776 5.129 20.788 1.00 0.00 C ATOM 943 NH1 ARG A 61 20.615 5.961 21.390 1.00 0.00 N ATOM 944 NH2 ARG A 61 20.235 4.010 20.244 1.00 0.00 N ATOM 0 H ARG A 61 17.164 7.226 18.807 1.00 0.00 H new ATOM 0 HA ARG A 61 14.427 7.118 18.878 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.699 5.600 20.668 1.00 0.00 H new ATOM 0 HB3 ARG A 61 16.179 5.460 19.740 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.032 7.342 22.100 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.300 5.628 22.348 1.00 0.00 H new ATOM 0 HD2 ARG A 61 18.008 7.448 20.604 1.00 0.00 H new ATOM 0 HD3 ARG A 61 18.431 6.892 22.211 1.00 0.00 H new ATOM 0 HE ARG A 61 17.862 4.751 20.261 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.265 6.822 21.811 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.610 5.740 21.432 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.592 3.367 19.781 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.231 3.792 20.288 1.00 0.00 H new ATOM 958 N ARG A 62 13.431 8.358 20.889 1.00 0.00 N ATOM 959 CA ARG A 62 12.815 9.331 21.783 1.00 0.00 C ATOM 960 C ARG A 62 13.665 9.534 23.034 1.00 0.00 C ATOM 961 O ARG A 62 14.011 8.576 23.726 1.00 0.00 O ATOM 962 CB ARG A 62 11.410 8.874 22.178 1.00 0.00 C ATOM 963 CG ARG A 62 10.719 9.808 23.158 1.00 0.00 C ATOM 964 CD ARG A 62 11.007 9.414 24.599 1.00 0.00 C ATOM 965 NE ARG A 62 10.134 10.109 25.541 1.00 0.00 N ATOM 966 CZ ARG A 62 9.849 9.651 26.755 1.00 0.00 C ATOM 967 NH1 ARG A 62 10.365 8.503 27.171 1.00 0.00 N ATOM 968 NH2 ARG A 62 9.046 10.341 27.554 1.00 0.00 N ATOM 0 H ARG A 62 12.807 7.611 20.583 1.00 0.00 H new ATOM 0 HA ARG A 62 12.746 10.281 21.253 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.799 8.787 21.279 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.471 7.879 22.619 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.054 10.831 22.985 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.643 9.790 22.983 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.879 8.338 24.713 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.047 9.638 24.835 1.00 0.00 H new ATOM 0 HE ARG A 62 9.720 10.995 25.251 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.982 7.970 26.559 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.145 8.153 28.103 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.647 11.224 27.236 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.828 9.988 28.486 1.00 0.00 H new ATOM 982 N LYS A 63 13.999 10.788 23.319 1.00 0.00 N ATOM 983 CA LYS A 63 14.808 11.119 24.487 1.00 0.00 C ATOM 984 C LYS A 63 14.558 12.556 24.932 1.00 0.00 C ATOM 985 O LYS A 63 14.588 13.480 24.121 1.00 0.00 O ATOM 986 CB LYS A 63 16.293 10.921 24.176 1.00 0.00 C ATOM 987 CG LYS A 63 16.845 11.926 23.180 1.00 0.00 C ATOM 988 CD LYS A 63 18.337 11.733 22.961 1.00 0.00 C ATOM 989 CE LYS A 63 18.853 12.611 21.832 1.00 0.00 C ATOM 990 NZ LYS A 63 20.319 12.449 21.629 1.00 0.00 N ATOM 0 H LYS A 63 13.722 11.593 22.757 1.00 0.00 H new ATOM 0 HA LYS A 63 14.521 10.451 25.299 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.862 10.991 25.103 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.443 9.915 23.785 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.321 11.824 22.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.657 12.937 23.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.874 11.968 23.880 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.540 10.687 22.731 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.329 12.361 20.909 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.630 13.655 22.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.632 13.064 20.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.821 12.711 22.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.529 11.458 21.393 1.00 0.00 H new ATOM 1004 N GLN A 64 14.312 12.735 26.226 1.00 0.00 N ATOM 1005 CA GLN A 64 14.058 14.061 26.778 1.00 0.00 C ATOM 1006 C GLN A 64 15.292 14.949 26.652 1.00 0.00 C ATOM 1007 O GLN A 64 16.300 14.728 27.323 1.00 0.00 O ATOM 1008 CB GLN A 64 13.641 13.953 28.246 1.00 0.00 C ATOM 1009 CG GLN A 64 14.559 13.070 29.077 1.00 0.00 C ATOM 1010 CD GLN A 64 14.153 11.610 29.041 1.00 0.00 C ATOM 1011 OE1 GLN A 64 12.978 11.284 28.868 1.00 0.00 O ATOM 1012 NE2 GLN A 64 15.125 10.721 29.206 1.00 0.00 N ATOM 0 H GLN A 64 14.283 11.980 26.911 1.00 0.00 H new ATOM 0 HA GLN A 64 13.247 14.515 26.209 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.618 14.951 28.683 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.626 13.559 28.299 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.581 13.168 28.711 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.556 13.419 30.110 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.085 11.035 29.346 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.912 9.724 29.192 1.00 0.00 H new ATOM 1021 N LEU A 65 15.205 15.954 25.787 1.00 0.00 N ATOM 1022 CA LEU A 65 16.314 16.876 25.572 1.00 0.00 C ATOM 1023 C LEU A 65 16.983 17.241 26.894 1.00 0.00 C ATOM 1024 O LEU A 65 16.389 17.912 27.738 1.00 0.00 O ATOM 1025 CB LEU A 65 15.821 18.143 24.871 1.00 0.00 C ATOM 1026 CG LEU A 65 15.827 18.109 23.342 1.00 0.00 C ATOM 1027 CD1 LEU A 65 17.165 17.603 22.825 1.00 0.00 C ATOM 1028 CD2 LEU A 65 14.690 17.241 22.823 1.00 0.00 C ATOM 0 H LEU A 65 14.378 16.151 25.223 1.00 0.00 H new ATOM 0 HA LEU A 65 17.049 16.380 24.938 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.804 18.347 25.206 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.439 18.979 25.198 1.00 0.00 H new ATOM 0 HG LEU A 65 15.679 19.124 22.975 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.151 17.586 21.735 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.961 18.264 23.167 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.343 16.596 23.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.710 17.229 21.733 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.807 16.225 23.200 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.738 17.647 23.164 1.00 0.00 H new ATOM 1040 N LEU A 66 18.223 16.796 27.065 1.00 0.00 N ATOM 1041 CA LEU A 66 18.975 17.077 28.283 1.00 0.00 C ATOM 1042 C LEU A 66 19.125 18.580 28.496 1.00 0.00 C ATOM 1043 O LEU A 66 18.836 19.375 27.602 1.00 0.00 O ATOM 1044 CB LEU A 66 20.355 16.420 28.217 1.00 0.00 C ATOM 1045 CG LEU A 66 21.293 16.938 27.127 1.00 0.00 C ATOM 1046 CD1 LEU A 66 22.742 16.835 27.577 1.00 0.00 C ATOM 1047 CD2 LEU A 66 21.080 16.169 25.831 1.00 0.00 C ATOM 0 H LEU A 66 18.729 16.239 26.376 1.00 0.00 H new ATOM 0 HA LEU A 66 18.422 16.663 29.126 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.844 16.551 29.182 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.219 15.348 28.072 1.00 0.00 H new ATOM 0 HG LEU A 66 21.064 17.988 26.946 1.00 0.00 H new ATOM 0 HD11 LEU A 66 23.395 17.208 26.788 1.00 0.00 H new ATOM 0 HD12 LEU A 66 22.886 17.430 28.479 1.00 0.00 H new ATOM 0 HD13 LEU A 66 22.985 15.793 27.786 1.00 0.00 H new ATOM 0 HD21 LEU A 66 21.756 16.551 25.066 1.00 0.00 H new ATOM 0 HD22 LEU A 66 21.282 15.111 25.998 1.00 0.00 H new ATOM 0 HD23 LEU A 66 20.049 16.293 25.499 1.00 0.00 H new ATOM 1059 N SER A 67 19.579 18.962 29.685 1.00 0.00 N ATOM 1060 CA SER A 67 19.766 20.369 30.017 1.00 0.00 C ATOM 1061 C SER A 67 21.172 20.620 30.553 1.00 0.00 C ATOM 1062 O SER A 67 21.723 19.802 31.291 1.00 0.00 O ATOM 1063 CB SER A 67 18.728 20.815 31.048 1.00 0.00 C ATOM 1064 OG SER A 67 18.944 20.180 32.297 1.00 0.00 O ATOM 0 H SER A 67 19.824 18.316 30.435 1.00 0.00 H new ATOM 0 HA SER A 67 19.635 20.951 29.105 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.777 21.897 31.173 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.727 20.581 30.686 1.00 0.00 H new ATOM 0 HG SER A 67 18.269 20.483 32.939 1.00 0.00 H new ATOM 1070 N LYS A 68 21.749 21.756 30.176 1.00 0.00 N ATOM 1071 CA LYS A 68 23.090 22.117 30.618 1.00 0.00 C ATOM 1072 C LYS A 68 23.049 23.323 31.552 1.00 0.00 C ATOM 1073 O LYS A 68 22.333 24.291 31.298 1.00 0.00 O ATOM 1074 CB LYS A 68 23.982 22.422 29.413 1.00 0.00 C ATOM 1075 CG LYS A 68 25.466 22.276 29.702 1.00 0.00 C ATOM 1076 CD LYS A 68 26.312 22.809 28.558 1.00 0.00 C ATOM 1077 CE LYS A 68 27.798 22.713 28.871 1.00 0.00 C ATOM 1078 NZ LYS A 68 28.363 21.392 28.482 1.00 0.00 N ATOM 0 H LYS A 68 21.308 22.443 29.565 1.00 0.00 H new ATOM 0 HA LYS A 68 23.505 21.270 31.164 1.00 0.00 H new ATOM 0 HB2 LYS A 68 23.713 21.755 28.594 1.00 0.00 H new ATOM 0 HB3 LYS A 68 23.785 23.439 29.074 1.00 0.00 H new ATOM 0 HG2 LYS A 68 25.713 22.811 30.619 1.00 0.00 H new ATOM 0 HG3 LYS A 68 25.703 21.226 29.872 1.00 0.00 H new ATOM 0 HD2 LYS A 68 26.093 22.247 27.650 1.00 0.00 H new ATOM 0 HD3 LYS A 68 26.047 23.848 28.361 1.00 0.00 H new ATOM 0 HE2 LYS A 68 28.332 23.505 28.346 1.00 0.00 H new ATOM 0 HE3 LYS A 68 27.956 22.876 29.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 29.377 21.367 28.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 27.871 20.637 29.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 28.236 21.247 27.460 1.00 0.00 H new ATOM 1092 N GLN A 69 23.823 23.257 32.630 1.00 0.00 N ATOM 1093 CA GLN A 69 23.874 24.345 33.600 1.00 0.00 C ATOM 1094 C GLN A 69 25.302 24.573 34.087 1.00 0.00 C ATOM 1095 O GLN A 69 26.149 23.684 34.000 1.00 0.00 O ATOM 1096 CB GLN A 69 22.961 24.040 34.789 1.00 0.00 C ATOM 1097 CG GLN A 69 22.801 25.208 35.749 1.00 0.00 C ATOM 1098 CD GLN A 69 22.003 26.350 35.151 1.00 0.00 C ATOM 1099 OE1 GLN A 69 22.501 27.096 34.307 1.00 0.00 O ATOM 1100 NE2 GLN A 69 20.757 26.493 35.585 1.00 0.00 N ATOM 0 H GLN A 69 24.423 22.463 32.854 1.00 0.00 H new ATOM 0 HA GLN A 69 23.527 25.253 33.108 1.00 0.00 H new ATOM 0 HB2 GLN A 69 21.979 23.749 34.417 1.00 0.00 H new ATOM 0 HB3 GLN A 69 23.361 23.185 35.334 1.00 0.00 H new ATOM 0 HG2 GLN A 69 22.308 24.862 36.657 1.00 0.00 H new ATOM 0 HG3 GLN A 69 23.786 25.572 36.040 1.00 0.00 H new ATOM 0 HE21 GLN A 69 20.384 25.852 36.286 1.00 0.00 H new ATOM 0 HE22 GLN A 69 20.172 27.244 35.218 1.00 0.00 H new ATOM 1109 N LYS A 70 25.562 25.771 34.599 1.00 0.00 N ATOM 1110 CA LYS A 70 26.887 26.118 35.100 1.00 0.00 C ATOM 1111 C LYS A 70 26.787 26.878 36.419 1.00 0.00 C ATOM 1112 O LYS A 70 25.901 27.713 36.600 1.00 0.00 O ATOM 1113 CB LYS A 70 27.640 26.961 34.069 1.00 0.00 C ATOM 1114 CG LYS A 70 27.122 28.384 33.951 1.00 0.00 C ATOM 1115 CD LYS A 70 28.124 29.286 33.248 1.00 0.00 C ATOM 1116 CE LYS A 70 28.127 29.051 31.746 1.00 0.00 C ATOM 1117 NZ LYS A 70 26.866 29.520 31.108 1.00 0.00 N ATOM 0 H LYS A 70 24.872 26.518 34.678 1.00 0.00 H new ATOM 0 HA LYS A 70 27.436 25.193 35.274 1.00 0.00 H new ATOM 0 HB2 LYS A 70 28.696 26.989 34.337 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.571 26.476 33.095 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.181 28.385 33.401 1.00 0.00 H new ATOM 0 HG3 LYS A 70 26.910 28.779 34.945 1.00 0.00 H new ATOM 0 HD2 LYS A 70 27.883 30.329 33.454 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.122 29.104 33.648 1.00 0.00 H new ATOM 0 HE2 LYS A 70 28.975 29.570 31.299 1.00 0.00 H new ATOM 0 HE3 LYS A 70 28.262 27.988 31.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.010 29.613 30.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.108 28.832 31.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 26.598 30.443 31.505 1.00 0.00 H new ATOM 1131 N TYR A 71 27.703 26.585 37.336 1.00 0.00 N ATOM 1132 CA TYR A 71 27.717 27.240 38.638 1.00 0.00 C ATOM 1133 C TYR A 71 29.029 27.988 38.857 1.00 0.00 C ATOM 1134 O TYR A 71 30.097 27.381 38.936 1.00 0.00 O ATOM 1135 CB TYR A 71 27.511 26.212 39.752 1.00 0.00 C ATOM 1136 CG TYR A 71 26.058 25.886 40.013 1.00 0.00 C ATOM 1137 CD1 TYR A 71 25.246 25.384 39.004 1.00 0.00 C ATOM 1138 CD2 TYR A 71 25.497 26.079 41.270 1.00 0.00 C ATOM 1139 CE1 TYR A 71 23.918 25.085 39.238 1.00 0.00 C ATOM 1140 CE2 TYR A 71 24.170 25.781 41.513 1.00 0.00 C ATOM 1141 CZ TYR A 71 23.385 25.285 40.494 1.00 0.00 C ATOM 1142 OH TYR A 71 22.062 24.987 40.732 1.00 0.00 O ATOM 0 H TYR A 71 28.445 25.898 37.201 1.00 0.00 H new ATOM 0 HA TYR A 71 26.900 27.961 38.663 1.00 0.00 H new ATOM 0 HB2 TYR A 71 28.039 25.295 39.491 1.00 0.00 H new ATOM 0 HB3 TYR A 71 27.961 26.589 40.671 1.00 0.00 H new ATOM 0 HD1 TYR A 71 25.660 25.225 38.019 1.00 0.00 H new ATOM 0 HD2 TYR A 71 26.109 26.468 42.070 1.00 0.00 H new ATOM 0 HE1 TYR A 71 23.300 24.697 38.442 1.00 0.00 H new ATOM 0 HE2 TYR A 71 23.750 25.936 42.496 1.00 0.00 H new ATOM 0 HH TYR A 71 21.845 25.184 41.667 1.00 0.00 H new ATOM 1152 N ALA A 72 28.940 29.310 38.955 1.00 0.00 N ATOM 1153 CA ALA A 72 30.118 30.142 39.168 1.00 0.00 C ATOM 1154 C ALA A 72 30.918 29.662 40.374 1.00 0.00 C ATOM 1155 O ALA A 72 30.367 29.465 41.458 1.00 0.00 O ATOM 1156 CB ALA A 72 29.711 31.597 39.347 1.00 0.00 C ATOM 0 H ALA A 72 28.064 29.828 38.890 1.00 0.00 H new ATOM 0 HA ALA A 72 30.755 30.060 38.287 1.00 0.00 H new ATOM 0 HB1 ALA A 72 30.601 32.207 39.505 1.00 0.00 H new ATOM 0 HB2 ALA A 72 29.189 31.941 38.454 1.00 0.00 H new ATOM 0 HB3 ALA A 72 29.051 31.687 40.210 1.00 0.00 H new ATOM 1162 N ASP A 73 32.218 29.474 40.179 1.00 0.00 N ATOM 1163 CA ASP A 73 33.095 29.018 41.251 1.00 0.00 C ATOM 1164 C ASP A 73 34.114 30.092 41.615 1.00 0.00 C ATOM 1165 O ASP A 73 34.457 30.941 40.792 1.00 0.00 O ATOM 1166 CB ASP A 73 33.814 27.733 40.838 1.00 0.00 C ATOM 1167 CG ASP A 73 34.557 27.089 41.992 1.00 0.00 C ATOM 1168 OD1 ASP A 73 35.656 27.572 42.335 1.00 0.00 O ATOM 1169 OD2 ASP A 73 34.038 26.101 42.554 1.00 0.00 O ATOM 0 H ASP A 73 32.688 29.630 39.288 1.00 0.00 H new ATOM 0 HA ASP A 73 32.480 28.816 42.128 1.00 0.00 H new ATOM 0 HB2 ASP A 73 33.087 27.026 40.438 1.00 0.00 H new ATOM 0 HB3 ASP A 73 34.517 27.955 40.036 1.00 0.00 H new ATOM 1174 N GLY A 74 34.595 30.050 42.854 1.00 0.00 N ATOM 1175 CA GLY A 74 35.570 31.026 43.305 1.00 0.00 C ATOM 1176 C GLY A 74 36.151 30.681 44.661 1.00 0.00 C ATOM 1177 O GLY A 74 36.640 29.571 44.871 1.00 0.00 O ATOM 0 H GLY A 74 34.327 29.358 43.553 1.00 0.00 H new ATOM 0 HA2 GLY A 74 36.376 31.094 42.574 1.00 0.00 H new ATOM 0 HA3 GLY A 74 35.100 32.008 43.354 1.00 0.00 H new ATOM 1181 N ALA A 75 36.100 31.635 45.585 1.00 0.00 N ATOM 1182 CA ALA A 75 36.626 31.426 46.929 1.00 0.00 C ATOM 1183 C ALA A 75 35.628 31.887 47.986 1.00 0.00 C ATOM 1184 O ALA A 75 34.871 32.832 47.769 1.00 0.00 O ATOM 1185 CB ALA A 75 37.951 32.155 47.097 1.00 0.00 C ATOM 0 H ALA A 75 35.700 32.560 45.428 1.00 0.00 H new ATOM 0 HA ALA A 75 36.793 30.358 47.065 1.00 0.00 H new ATOM 0 HB1 ALA A 75 38.332 31.990 48.105 1.00 0.00 H new ATOM 0 HB2 ALA A 75 38.670 31.775 46.371 1.00 0.00 H new ATOM 0 HB3 ALA A 75 37.802 33.223 46.936 1.00 0.00 H new ATOM 1191 N PHE A 76 35.633 31.212 49.131 1.00 0.00 N ATOM 1192 CA PHE A 76 34.727 31.552 50.222 1.00 0.00 C ATOM 1193 C PHE A 76 35.232 32.771 50.989 1.00 0.00 C ATOM 1194 O PHE A 76 36.422 33.081 50.968 1.00 0.00 O ATOM 1195 CB PHE A 76 34.573 30.364 51.174 1.00 0.00 C ATOM 1196 CG PHE A 76 33.810 30.693 52.425 1.00 0.00 C ATOM 1197 CD1 PHE A 76 32.440 30.899 52.383 1.00 0.00 C ATOM 1198 CD2 PHE A 76 34.462 30.798 53.643 1.00 0.00 C ATOM 1199 CE1 PHE A 76 31.735 31.202 53.533 1.00 0.00 C ATOM 1200 CE2 PHE A 76 33.763 31.100 54.796 1.00 0.00 C ATOM 1201 CZ PHE A 76 32.398 31.304 54.741 1.00 0.00 C ATOM 0 H PHE A 76 36.254 30.427 49.327 1.00 0.00 H new ATOM 0 HA PHE A 76 33.755 31.793 49.792 1.00 0.00 H new ATOM 0 HB2 PHE A 76 34.066 29.553 50.651 1.00 0.00 H new ATOM 0 HB3 PHE A 76 35.562 29.997 51.447 1.00 0.00 H new ATOM 0 HD1 PHE A 76 31.917 30.822 51.441 1.00 0.00 H new ATOM 0 HD2 PHE A 76 35.530 30.642 53.692 1.00 0.00 H new ATOM 0 HE1 PHE A 76 30.667 31.359 53.487 1.00 0.00 H new ATOM 0 HE2 PHE A 76 34.283 31.176 55.739 1.00 0.00 H new ATOM 0 HZ PHE A 76 31.850 31.543 55.640 1.00 0.00 H new ATOM 1211 N ALA A 77 34.317 33.458 51.665 1.00 0.00 N ATOM 1212 CA ALA A 77 34.668 34.641 52.440 1.00 0.00 C ATOM 1213 C ALA A 77 35.904 34.389 53.297 1.00 0.00 C ATOM 1214 O ALA A 77 35.886 33.547 54.196 1.00 0.00 O ATOM 1215 CB ALA A 77 33.497 35.069 53.311 1.00 0.00 C ATOM 0 H ALA A 77 33.327 33.215 51.691 1.00 0.00 H new ATOM 0 HA ALA A 77 34.900 35.446 51.743 1.00 0.00 H new ATOM 0 HB1 ALA A 77 33.774 35.954 53.884 1.00 0.00 H new ATOM 0 HB2 ALA A 77 32.639 35.300 52.679 1.00 0.00 H new ATOM 0 HB3 ALA A 77 33.237 34.261 53.995 1.00 0.00 H new ATOM 1221 N ASP A 78 36.974 35.122 53.014 1.00 0.00 N ATOM 1222 CA ASP A 78 38.219 34.978 53.760 1.00 0.00 C ATOM 1223 C ASP A 78 38.396 36.126 54.750 1.00 0.00 C ATOM 1224 O ASP A 78 37.844 37.211 54.563 1.00 0.00 O ATOM 1225 CB ASP A 78 39.410 34.927 52.802 1.00 0.00 C ATOM 1226 CG ASP A 78 40.691 35.422 53.444 1.00 0.00 C ATOM 1227 OD1 ASP A 78 40.914 36.651 53.453 1.00 0.00 O ATOM 1228 OD2 ASP A 78 41.471 34.581 53.938 1.00 0.00 O ATOM 0 H ASP A 78 37.005 35.822 52.273 1.00 0.00 H new ATOM 0 HA ASP A 78 38.172 34.044 54.319 1.00 0.00 H new ATOM 0 HB2 ASP A 78 39.552 33.903 52.458 1.00 0.00 H new ATOM 0 HB3 ASP A 78 39.191 35.532 51.922 1.00 0.00 H new ATOM 1233 N PHE A 79 39.167 35.879 55.803 1.00 0.00 N ATOM 1234 CA PHE A 79 39.415 36.891 56.824 1.00 0.00 C ATOM 1235 C PHE A 79 40.678 36.566 57.616 1.00 0.00 C ATOM 1236 O PHE A 79 41.254 35.487 57.474 1.00 0.00 O ATOM 1237 CB PHE A 79 38.217 36.994 57.771 1.00 0.00 C ATOM 1238 CG PHE A 79 37.710 35.662 58.243 1.00 0.00 C ATOM 1239 CD1 PHE A 79 36.923 34.873 57.420 1.00 0.00 C ATOM 1240 CD2 PHE A 79 38.021 35.198 59.511 1.00 0.00 C ATOM 1241 CE1 PHE A 79 36.454 33.647 57.853 1.00 0.00 C ATOM 1242 CE2 PHE A 79 37.556 33.972 59.950 1.00 0.00 C ATOM 1243 CZ PHE A 79 36.772 33.196 59.119 1.00 0.00 C ATOM 0 H PHE A 79 39.631 34.987 55.972 1.00 0.00 H new ATOM 0 HA PHE A 79 39.558 37.849 56.324 1.00 0.00 H new ATOM 0 HB2 PHE A 79 38.499 37.594 58.636 1.00 0.00 H new ATOM 0 HB3 PHE A 79 37.409 37.523 57.266 1.00 0.00 H new ATOM 0 HD1 PHE A 79 36.673 35.220 56.428 1.00 0.00 H new ATOM 0 HD2 PHE A 79 38.634 35.801 60.164 1.00 0.00 H new ATOM 0 HE1 PHE A 79 35.840 33.043 57.202 1.00 0.00 H new ATOM 0 HE2 PHE A 79 37.805 33.622 60.941 1.00 0.00 H new ATOM 0 HZ PHE A 79 36.408 32.238 59.459 1.00 0.00 H new ATOM 1253 N LYS A 80 41.103 37.508 58.452 1.00 0.00 N ATOM 1254 CA LYS A 80 42.297 37.324 59.268 1.00 0.00 C ATOM 1255 C LYS A 80 42.093 36.207 60.287 1.00 0.00 C ATOM 1256 O LYS A 80 40.965 35.915 60.683 1.00 0.00 O ATOM 1257 CB LYS A 80 42.652 38.627 59.989 1.00 0.00 C ATOM 1258 CG LYS A 80 44.129 38.755 60.321 1.00 0.00 C ATOM 1259 CD LYS A 80 44.890 39.461 59.212 1.00 0.00 C ATOM 1260 CE LYS A 80 45.469 38.469 58.214 1.00 0.00 C ATOM 1261 NZ LYS A 80 46.246 39.151 57.142 1.00 0.00 N ATOM 0 H LYS A 80 40.638 38.406 58.582 1.00 0.00 H new ATOM 0 HA LYS A 80 43.118 37.045 58.608 1.00 0.00 H new ATOM 0 HB2 LYS A 80 42.354 39.470 59.366 1.00 0.00 H new ATOM 0 HB3 LYS A 80 42.074 38.692 60.911 1.00 0.00 H new ATOM 0 HG2 LYS A 80 44.247 39.307 61.253 1.00 0.00 H new ATOM 0 HG3 LYS A 80 44.554 37.764 60.482 1.00 0.00 H new ATOM 0 HD2 LYS A 80 44.224 40.152 58.695 1.00 0.00 H new ATOM 0 HD3 LYS A 80 45.695 40.056 59.643 1.00 0.00 H new ATOM 0 HE2 LYS A 80 46.114 37.762 58.737 1.00 0.00 H new ATOM 0 HE3 LYS A 80 44.661 37.891 57.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 46.624 38.441 56.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 45.625 39.807 56.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 47.033 39.682 57.568 1.00 0.00 H new ATOM 1275 N GLN A 81 43.191 35.588 60.707 1.00 0.00 N ATOM 1276 CA GLN A 81 43.131 34.503 61.680 1.00 0.00 C ATOM 1277 C GLN A 81 43.561 34.987 63.061 1.00 0.00 C ATOM 1278 O GLN A 81 44.018 36.119 63.218 1.00 0.00 O ATOM 1279 CB GLN A 81 44.019 33.340 61.235 1.00 0.00 C ATOM 1280 CG GLN A 81 43.613 32.742 59.897 1.00 0.00 C ATOM 1281 CD GLN A 81 44.119 33.550 58.719 1.00 0.00 C ATOM 1282 OE1 GLN A 81 44.991 34.407 58.867 1.00 0.00 O ATOM 1283 NE2 GLN A 81 43.575 33.280 57.538 1.00 0.00 N ATOM 0 H GLN A 81 44.132 35.819 60.389 1.00 0.00 H new ATOM 0 HA GLN A 81 42.098 34.159 61.740 1.00 0.00 H new ATOM 0 HB2 GLN A 81 45.051 33.685 61.171 1.00 0.00 H new ATOM 0 HB3 GLN A 81 43.990 32.560 61.996 1.00 0.00 H new ATOM 0 HG2 GLN A 81 43.997 31.724 59.827 1.00 0.00 H new ATOM 0 HG3 GLN A 81 42.526 32.676 59.848 1.00 0.00 H new ATOM 0 HE21 GLN A 81 42.855 32.562 57.460 1.00 0.00 H new ATOM 0 HE22 GLN A 81 43.877 33.791 56.709 1.00 0.00 H new ATOM 1292 N GLU A 82 43.411 34.122 64.059 1.00 0.00 N ATOM 1293 CA GLU A 82 43.783 34.462 65.427 1.00 0.00 C ATOM 1294 C GLU A 82 43.410 35.906 65.749 1.00 0.00 C ATOM 1295 O GLU A 82 44.192 36.641 66.352 1.00 0.00 O ATOM 1296 CB GLU A 82 45.284 34.253 65.638 1.00 0.00 C ATOM 1297 CG GLU A 82 46.152 35.170 64.792 1.00 0.00 C ATOM 1298 CD GLU A 82 47.630 35.014 65.091 1.00 0.00 C ATOM 1299 OE1 GLU A 82 48.082 33.862 65.262 1.00 0.00 O ATOM 1300 OE2 GLU A 82 48.335 36.043 65.154 1.00 0.00 O ATOM 0 H GLU A 82 43.035 33.181 63.946 1.00 0.00 H new ATOM 0 HA GLU A 82 43.233 33.804 66.100 1.00 0.00 H new ATOM 0 HB2 GLU A 82 45.520 34.412 66.690 1.00 0.00 H new ATOM 0 HB3 GLU A 82 45.534 33.217 65.409 1.00 0.00 H new ATOM 0 HG2 GLU A 82 45.975 34.961 63.737 1.00 0.00 H new ATOM 0 HG3 GLU A 82 45.857 36.205 64.966 1.00 0.00 H new ATOM 1307 N SER A 83 42.209 36.306 65.342 1.00 0.00 N ATOM 1308 CA SER A 83 41.733 37.663 65.582 1.00 0.00 C ATOM 1309 C SER A 83 41.881 38.038 67.054 1.00 0.00 C ATOM 1310 O SER A 83 41.957 37.170 67.923 1.00 0.00 O ATOM 1311 CB SER A 83 40.269 37.795 65.156 1.00 0.00 C ATOM 1312 OG SER A 83 39.424 37.016 65.985 1.00 0.00 O ATOM 0 H SER A 83 41.548 35.709 64.845 1.00 0.00 H new ATOM 0 HA SER A 83 42.341 38.345 64.988 1.00 0.00 H new ATOM 0 HB2 SER A 83 39.966 38.841 65.203 1.00 0.00 H new ATOM 0 HB3 SER A 83 40.159 37.478 64.119 1.00 0.00 H new ATOM 0 HG SER A 83 38.494 37.119 65.693 1.00 0.00 H new ATOM 1318 N GLY A 84 41.922 39.339 67.325 1.00 0.00 N ATOM 1319 CA GLY A 84 42.061 39.807 68.692 1.00 0.00 C ATOM 1320 C GLY A 84 40.924 39.346 69.582 1.00 0.00 C ATOM 1321 O GLY A 84 39.898 38.855 69.110 1.00 0.00 O ATOM 0 H GLY A 84 41.862 40.077 66.623 1.00 0.00 H new ATOM 0 HA2 GLY A 84 43.006 39.449 69.101 1.00 0.00 H new ATOM 0 HA3 GLY A 84 42.103 40.896 68.697 1.00 0.00 H new ATOM 1325 N PRO A 85 41.101 39.501 70.902 1.00 0.00 N ATOM 1326 CA PRO A 85 40.093 39.101 71.888 1.00 0.00 C ATOM 1327 C PRO A 85 38.858 39.995 71.849 1.00 0.00 C ATOM 1328 O PRO A 85 38.780 40.928 71.050 1.00 0.00 O ATOM 1329 CB PRO A 85 40.822 39.256 73.225 1.00 0.00 C ATOM 1330 CG PRO A 85 41.878 40.275 72.965 1.00 0.00 C ATOM 1331 CD PRO A 85 42.299 40.079 71.535 1.00 0.00 C ATOM 0 HA PRO A 85 39.721 38.093 71.704 1.00 0.00 H new ATOM 0 HB2 PRO A 85 40.142 39.583 74.011 1.00 0.00 H new ATOM 0 HB3 PRO A 85 41.256 38.311 73.551 1.00 0.00 H new ATOM 0 HG2 PRO A 85 41.495 41.283 73.125 1.00 0.00 H new ATOM 0 HG3 PRO A 85 42.722 40.144 73.642 1.00 0.00 H new ATOM 0 HD2 PRO A 85 42.585 41.021 71.068 1.00 0.00 H new ATOM 0 HD3 PRO A 85 43.157 39.411 71.457 1.00 0.00 H new ATOM 1339 N SER A 86 37.895 39.705 72.718 1.00 0.00 N ATOM 1340 CA SER A 86 36.662 40.481 72.781 1.00 0.00 C ATOM 1341 C SER A 86 36.624 41.341 74.040 1.00 0.00 C ATOM 1342 O SER A 86 37.402 41.132 74.971 1.00 0.00 O ATOM 1343 CB SER A 86 35.447 39.551 72.748 1.00 0.00 C ATOM 1344 OG SER A 86 35.169 39.123 71.426 1.00 0.00 O ATOM 0 H SER A 86 37.945 38.938 73.388 1.00 0.00 H new ATOM 0 HA SER A 86 36.631 41.139 71.912 1.00 0.00 H new ATOM 0 HB2 SER A 86 35.631 38.684 73.383 1.00 0.00 H new ATOM 0 HB3 SER A 86 34.578 40.067 73.157 1.00 0.00 H new ATOM 0 HG SER A 86 34.390 38.529 71.432 1.00 0.00 H new ATOM 1350 N SER A 87 35.714 42.309 74.062 1.00 0.00 N ATOM 1351 CA SER A 87 35.576 43.204 75.205 1.00 0.00 C ATOM 1352 C SER A 87 34.150 43.178 75.746 1.00 0.00 C ATOM 1353 O SER A 87 33.933 43.028 76.948 1.00 0.00 O ATOM 1354 CB SER A 87 35.958 44.632 74.810 1.00 0.00 C ATOM 1355 OG SER A 87 35.069 45.145 73.833 1.00 0.00 O ATOM 0 H SER A 87 35.061 42.494 73.301 1.00 0.00 H new ATOM 0 HA SER A 87 36.250 42.859 75.989 1.00 0.00 H new ATOM 0 HB2 SER A 87 35.944 45.273 75.692 1.00 0.00 H new ATOM 0 HB3 SER A 87 36.977 44.646 74.422 1.00 0.00 H new ATOM 0 HG SER A 87 35.333 46.059 73.598 1.00 0.00 H new ATOM 1361 N GLY A 88 33.180 43.326 74.849 1.00 0.00 N ATOM 1362 CA GLY A 88 31.787 43.317 75.255 1.00 0.00 C ATOM 1363 C GLY A 88 30.943 44.290 74.454 1.00 0.00 C ATOM 1364 O GLY A 88 31.498 45.061 73.673 1.00 0.00 O ATOM 0 H GLY A 88 33.334 43.452 73.849 1.00 0.00 H new ATOM 0 HA2 GLY A 88 31.384 42.311 75.139 1.00 0.00 H new ATOM 0 HA3 GLY A 88 31.719 43.568 76.314 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.908 -4.896 3.686 1.00 0.00 ZN