USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=20 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 27 GLN : amide:sc= -3.95! C(o=-3.1!,f=-7.7!) USER MOD Set 1.2: A 34 LYS NZ :NH3+ -145:sc= 0.889 (180deg=-0.0469) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 75:sc= 0.361 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= -0.138 K(o=-0.14,f=-2.9!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 23 ASN : amide:sc= 0.114 K(o=0.11,f=-4.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0373 (180deg=-0.392) USER MOD Single : A 30 HIS : no HD1:sc= -0.66 K(o=-0.66,f=-1.4) USER MOD Single : A 33 SER OG : rot 92:sc= 1.2 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 68:sc= 0.0637 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.29! K(o=-2.3!,f=-1.5) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 53 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.9) 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= -0.083 X(o=-0.083,f=-0.083) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 67 SER OG : rot 78:sc= 0.112 USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.0528 (180deg=-0.302) USER MOD Single : A 69 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot -124:sc= -0.704 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 40:sc= 0.321 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.460 30.696 -45.433 1.00 0.00 N ATOM 2 CA GLY A 1 -21.446 30.693 -46.499 1.00 0.00 C ATOM 3 C GLY A 1 -22.812 30.239 -46.023 1.00 0.00 C ATOM 4 O GLY A 1 -23.055 29.043 -45.863 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.544 31.014 -45.809 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.767 31.342 -44.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.362 29.735 -45.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.526 31.696 -46.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.108 30.037 -47.301 1.00 0.00 H new ATOM 8 N SER A 2 -23.706 31.196 -45.796 1.00 0.00 N ATOM 9 CA SER A 2 -25.053 30.889 -45.331 1.00 0.00 C ATOM 10 C SER A 2 -25.629 29.695 -46.086 1.00 0.00 C ATOM 11 O SER A 2 -25.931 29.785 -47.276 1.00 0.00 O ATOM 12 CB SER A 2 -25.965 32.105 -45.505 1.00 0.00 C ATOM 13 OG SER A 2 -27.317 31.770 -45.245 1.00 0.00 O ATOM 0 H SER A 2 -23.521 32.191 -45.927 1.00 0.00 H new ATOM 0 HA SER A 2 -24.996 30.635 -44.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.648 32.901 -44.831 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.872 32.491 -46.520 1.00 0.00 H new ATOM 0 HG SER A 2 -27.879 32.564 -45.361 1.00 0.00 H new ATOM 19 N SER A 3 -25.779 28.576 -45.384 1.00 0.00 N ATOM 20 CA SER A 3 -26.316 27.362 -45.987 1.00 0.00 C ATOM 21 C SER A 3 -27.199 26.608 -44.997 1.00 0.00 C ATOM 22 O SER A 3 -27.214 26.912 -43.805 1.00 0.00 O ATOM 23 CB SER A 3 -25.177 26.458 -46.463 1.00 0.00 C ATOM 24 OG SER A 3 -24.492 27.036 -47.561 1.00 0.00 O ATOM 0 H SER A 3 -25.536 28.485 -44.397 1.00 0.00 H new ATOM 0 HA SER A 3 -26.925 27.650 -46.844 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.478 26.286 -45.644 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.576 25.485 -46.751 1.00 0.00 H new ATOM 0 HG SER A 3 -23.921 27.766 -47.243 1.00 0.00 H new ATOM 30 N GLY A 4 -27.934 25.621 -45.501 1.00 0.00 N ATOM 31 CA GLY A 4 -28.809 24.838 -44.649 1.00 0.00 C ATOM 32 C GLY A 4 -28.585 23.347 -44.802 1.00 0.00 C ATOM 33 O GLY A 4 -28.057 22.892 -45.816 1.00 0.00 O ATOM 0 H GLY A 4 -27.939 25.350 -46.484 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.647 25.122 -43.609 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.847 25.073 -44.886 1.00 0.00 H new ATOM 37 N SER A 5 -28.987 22.583 -43.790 1.00 0.00 N ATOM 38 CA SER A 5 -28.822 21.135 -43.814 1.00 0.00 C ATOM 39 C SER A 5 -29.582 20.483 -42.663 1.00 0.00 C ATOM 40 O SER A 5 -29.701 21.055 -41.580 1.00 0.00 O ATOM 41 CB SER A 5 -27.339 20.768 -43.733 1.00 0.00 C ATOM 42 OG SER A 5 -27.117 19.441 -44.179 1.00 0.00 O ATOM 0 H SER A 5 -29.429 22.943 -42.944 1.00 0.00 H new ATOM 0 HA SER A 5 -29.230 20.763 -44.754 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.756 21.461 -44.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.991 20.873 -42.705 1.00 0.00 H new ATOM 0 HG SER A 5 -26.162 19.231 -44.119 1.00 0.00 H new ATOM 48 N SER A 6 -30.094 19.281 -42.906 1.00 0.00 N ATOM 49 CA SER A 6 -30.847 18.551 -41.892 1.00 0.00 C ATOM 50 C SER A 6 -30.005 17.427 -41.295 1.00 0.00 C ATOM 51 O SER A 6 -29.481 16.579 -42.015 1.00 0.00 O ATOM 52 CB SER A 6 -32.131 17.977 -42.494 1.00 0.00 C ATOM 53 OG SER A 6 -32.695 16.991 -41.647 1.00 0.00 O ATOM 0 H SER A 6 -30.001 18.792 -43.796 1.00 0.00 H new ATOM 0 HA SER A 6 -31.108 19.249 -41.096 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.852 18.779 -42.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.916 17.542 -43.470 1.00 0.00 H new ATOM 0 HG SER A 6 -33.515 16.641 -42.053 1.00 0.00 H new ATOM 59 N GLY A 7 -29.880 17.429 -39.971 1.00 0.00 N ATOM 60 CA GLY A 7 -29.101 16.406 -39.298 1.00 0.00 C ATOM 61 C GLY A 7 -28.447 16.917 -38.030 1.00 0.00 C ATOM 62 O GLY A 7 -27.319 17.411 -38.059 1.00 0.00 O ATOM 0 H GLY A 7 -30.304 18.121 -39.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.747 15.562 -39.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.332 16.034 -39.976 1.00 0.00 H new ATOM 66 N LEU A 8 -29.155 16.799 -36.912 1.00 0.00 N ATOM 67 CA LEU A 8 -28.638 17.254 -35.626 1.00 0.00 C ATOM 68 C LEU A 8 -28.069 16.087 -34.825 1.00 0.00 C ATOM 69 O LEU A 8 -28.505 14.946 -34.975 1.00 0.00 O ATOM 70 CB LEU A 8 -29.741 17.948 -34.826 1.00 0.00 C ATOM 71 CG LEU A 8 -29.378 18.360 -33.400 1.00 0.00 C ATOM 72 CD1 LEU A 8 -28.703 19.723 -33.394 1.00 0.00 C ATOM 73 CD2 LEU A 8 -30.617 18.374 -32.516 1.00 0.00 C ATOM 0 H LEU A 8 -30.089 16.392 -36.870 1.00 0.00 H new ATOM 0 HA LEU A 8 -27.835 17.966 -35.816 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -30.052 18.839 -35.372 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -30.604 17.283 -34.782 1.00 0.00 H new ATOM 0 HG LEU A 8 -28.678 17.628 -32.998 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -28.452 20.000 -32.370 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -27.793 19.681 -33.992 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -29.380 20.466 -33.815 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -30.339 18.670 -31.504 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -31.341 19.084 -32.916 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -31.060 17.378 -32.494 1.00 0.00 H new ATOM 85 N LYS A 9 -27.095 16.382 -33.971 1.00 0.00 N ATOM 86 CA LYS A 9 -26.468 15.360 -33.142 1.00 0.00 C ATOM 87 C LYS A 9 -27.402 14.923 -32.017 1.00 0.00 C ATOM 88 O LYS A 9 -27.248 15.345 -30.871 1.00 0.00 O ATOM 89 CB LYS A 9 -25.155 15.884 -32.555 1.00 0.00 C ATOM 90 CG LYS A 9 -25.286 17.244 -31.892 1.00 0.00 C ATOM 91 CD LYS A 9 -24.285 17.412 -30.761 1.00 0.00 C ATOM 92 CE LYS A 9 -24.572 18.661 -29.943 1.00 0.00 C ATOM 93 NZ LYS A 9 -24.049 19.889 -30.604 1.00 0.00 N ATOM 0 H LYS A 9 -26.722 17.322 -33.835 1.00 0.00 H new ATOM 0 HA LYS A 9 -26.258 14.496 -33.772 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.782 15.167 -31.824 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -24.411 15.946 -33.349 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -25.133 18.028 -32.634 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -26.298 17.365 -31.505 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.317 16.536 -30.113 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -23.277 17.468 -31.172 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -25.647 18.759 -29.794 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -24.121 18.560 -28.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -24.265 20.719 -30.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -23.019 19.807 -30.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.498 20.000 -31.536 1.00 0.00 H new ATOM 107 N ARG A 10 -28.368 14.075 -32.352 1.00 0.00 N ATOM 108 CA ARG A 10 -29.326 13.581 -31.371 1.00 0.00 C ATOM 109 C ARG A 10 -29.114 12.094 -31.104 1.00 0.00 C ATOM 110 O ARG A 10 -29.559 11.245 -31.876 1.00 0.00 O ATOM 111 CB ARG A 10 -30.757 13.825 -31.855 1.00 0.00 C ATOM 112 CG ARG A 10 -31.765 13.971 -30.727 1.00 0.00 C ATOM 113 CD ARG A 10 -32.131 12.621 -30.130 1.00 0.00 C ATOM 114 NE ARG A 10 -33.189 11.956 -30.886 1.00 0.00 N ATOM 115 CZ ARG A 10 -34.483 12.190 -30.702 1.00 0.00 C ATOM 116 NH1 ARG A 10 -34.878 13.069 -29.790 1.00 0.00 N ATOM 117 NH2 ARG A 10 -35.386 11.545 -31.430 1.00 0.00 N ATOM 0 H ARG A 10 -28.508 13.715 -33.296 1.00 0.00 H new ATOM 0 HA ARG A 10 -29.167 14.125 -30.440 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -30.776 14.727 -32.467 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -31.060 12.998 -32.497 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -31.352 14.614 -29.950 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -32.664 14.460 -31.102 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -31.247 11.984 -30.106 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -32.454 12.757 -29.098 1.00 0.00 H new ATOM 0 HE ARG A 10 -32.919 11.274 -31.595 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -34.187 13.567 -29.228 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -35.873 13.247 -29.650 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -35.086 10.868 -32.132 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -36.380 11.726 -31.287 1.00 0.00 H new ATOM 131 N ASP A 11 -28.431 11.787 -30.007 1.00 0.00 N ATOM 132 CA ASP A 11 -28.160 10.402 -29.638 1.00 0.00 C ATOM 133 C ASP A 11 -27.802 10.294 -28.159 1.00 0.00 C ATOM 134 O ASP A 11 -27.717 11.301 -27.455 1.00 0.00 O ATOM 135 CB ASP A 11 -27.025 9.837 -30.492 1.00 0.00 C ATOM 136 CG ASP A 11 -27.094 10.308 -31.932 1.00 0.00 C ATOM 137 OD1 ASP A 11 -26.861 11.510 -32.174 1.00 0.00 O ATOM 138 OD2 ASP A 11 -27.383 9.474 -32.816 1.00 0.00 O ATOM 0 H ASP A 11 -28.055 12.478 -29.358 1.00 0.00 H new ATOM 0 HA ASP A 11 -29.064 9.820 -29.818 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -26.068 10.133 -30.061 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -27.063 8.748 -30.467 1.00 0.00 H new ATOM 143 N PHE A 12 -27.594 9.067 -27.694 1.00 0.00 N ATOM 144 CA PHE A 12 -27.247 8.827 -26.298 1.00 0.00 C ATOM 145 C PHE A 12 -26.319 7.623 -26.167 1.00 0.00 C ATOM 146 O PHE A 12 -26.436 6.651 -26.914 1.00 0.00 O ATOM 147 CB PHE A 12 -28.513 8.601 -25.467 1.00 0.00 C ATOM 148 CG PHE A 12 -29.386 7.499 -25.993 1.00 0.00 C ATOM 149 CD1 PHE A 12 -30.090 7.659 -27.176 1.00 0.00 C ATOM 150 CD2 PHE A 12 -29.505 6.302 -25.304 1.00 0.00 C ATOM 151 CE1 PHE A 12 -30.894 6.646 -27.663 1.00 0.00 C ATOM 152 CE2 PHE A 12 -30.307 5.286 -25.787 1.00 0.00 C ATOM 153 CZ PHE A 12 -31.004 5.458 -26.967 1.00 0.00 C ATOM 0 H PHE A 12 -27.660 8.223 -28.263 1.00 0.00 H new ATOM 0 HA PHE A 12 -26.726 9.708 -25.923 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -28.228 8.369 -24.441 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -29.088 9.526 -25.437 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -30.009 8.586 -27.724 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -28.965 6.162 -24.379 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -31.436 6.783 -28.587 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -30.389 4.357 -25.242 1.00 0.00 H new ATOM 0 HZ PHE A 12 -31.633 4.666 -27.344 1.00 0.00 H new ATOM 163 N ILE A 13 -25.396 7.696 -25.214 1.00 0.00 N ATOM 164 CA ILE A 13 -24.448 6.613 -24.985 1.00 0.00 C ATOM 165 C ILE A 13 -24.652 5.985 -23.610 1.00 0.00 C ATOM 166 O ILE A 13 -24.503 6.650 -22.584 1.00 0.00 O ATOM 167 CB ILE A 13 -22.993 7.105 -25.101 1.00 0.00 C ATOM 168 CG1 ILE A 13 -22.824 8.441 -24.374 1.00 0.00 C ATOM 169 CG2 ILE A 13 -22.594 7.236 -26.563 1.00 0.00 C ATOM 170 CD1 ILE A 13 -21.390 8.748 -24.002 1.00 0.00 C ATOM 0 H ILE A 13 -25.285 8.494 -24.588 1.00 0.00 H new ATOM 0 HA ILE A 13 -24.633 5.864 -25.755 1.00 0.00 H new ATOM 0 HB ILE A 13 -22.338 6.372 -24.630 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -23.206 9.241 -25.008 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -23.432 8.433 -23.469 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -21.563 7.585 -26.629 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -22.681 6.266 -27.052 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -23.251 7.952 -27.057 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -21.345 9.709 -23.490 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -21.010 7.968 -23.343 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -20.781 8.789 -24.905 1.00 0.00 H new ATOM 182 N ILE A 14 -24.992 4.701 -23.597 1.00 0.00 N ATOM 183 CA ILE A 14 -25.214 3.982 -22.349 1.00 0.00 C ATOM 184 C ILE A 14 -24.242 2.815 -22.206 1.00 0.00 C ATOM 185 O ILE A 14 -24.419 1.766 -22.825 1.00 0.00 O ATOM 186 CB ILE A 14 -26.655 3.449 -22.254 1.00 0.00 C ATOM 187 CG1 ILE A 14 -27.653 4.609 -22.267 1.00 0.00 C ATOM 188 CG2 ILE A 14 -26.828 2.608 -20.998 1.00 0.00 C ATOM 189 CD1 ILE A 14 -27.366 5.664 -21.223 1.00 0.00 C ATOM 0 H ILE A 14 -25.120 4.137 -24.437 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.045 4.694 -21.541 1.00 0.00 H new ATOM 0 HB ILE A 14 -26.850 2.817 -23.120 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -27.645 5.073 -23.253 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -28.657 4.216 -22.108 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -27.852 2.239 -20.946 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -26.139 1.764 -21.028 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -26.617 3.218 -20.120 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -28.113 6.455 -21.290 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -27.403 5.214 -20.231 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -26.375 6.085 -21.394 1.00 0.00 H new ATOM 201 N LEU A 15 -23.215 3.005 -21.385 1.00 0.00 N ATOM 202 CA LEU A 15 -22.215 1.968 -21.158 1.00 0.00 C ATOM 203 C LEU A 15 -22.635 1.047 -20.017 1.00 0.00 C ATOM 204 O LEU A 15 -22.367 1.326 -18.849 1.00 0.00 O ATOM 205 CB LEU A 15 -20.858 2.601 -20.844 1.00 0.00 C ATOM 206 CG LEU A 15 -20.038 3.062 -22.050 1.00 0.00 C ATOM 207 CD1 LEU A 15 -20.535 4.410 -22.549 1.00 0.00 C ATOM 208 CD2 LEU A 15 -18.560 3.136 -21.693 1.00 0.00 C ATOM 0 H LEU A 15 -23.053 3.868 -20.865 1.00 0.00 H new ATOM 0 HA LEU A 15 -22.130 1.374 -22.068 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -21.022 3.459 -20.192 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -20.265 1.881 -20.280 1.00 0.00 H new ATOM 0 HG LEU A 15 -20.162 2.332 -22.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -19.940 4.722 -23.407 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -21.581 4.326 -22.844 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -20.441 5.150 -21.754 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -17.992 3.466 -22.563 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.418 3.844 -20.877 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.211 2.151 -21.383 1.00 0.00 H new ATOM 220 N GLY A 16 -23.293 -0.055 -20.365 1.00 0.00 N ATOM 221 CA GLY A 16 -23.738 -1.002 -19.359 1.00 0.00 C ATOM 222 C GLY A 16 -22.911 -2.273 -19.354 1.00 0.00 C ATOM 223 O GLY A 16 -23.367 -3.319 -19.812 1.00 0.00 O ATOM 0 H GLY A 16 -23.526 -0.309 -21.325 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -23.686 -0.534 -18.376 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -24.784 -1.253 -19.538 1.00 0.00 H new ATOM 227 N ASN A 17 -21.691 -2.181 -18.835 1.00 0.00 N ATOM 228 CA ASN A 17 -20.798 -3.332 -18.774 1.00 0.00 C ATOM 229 C ASN A 17 -19.533 -2.998 -17.990 1.00 0.00 C ATOM 230 O ASN A 17 -19.075 -1.856 -17.987 1.00 0.00 O ATOM 231 CB ASN A 17 -20.430 -3.793 -20.185 1.00 0.00 C ATOM 232 CG ASN A 17 -20.095 -5.271 -20.242 1.00 0.00 C ATOM 233 OD1 ASN A 17 -19.186 -5.740 -19.557 1.00 0.00 O ATOM 234 ND2 ASN A 17 -20.830 -6.013 -21.061 1.00 0.00 N ATOM 0 H ASN A 17 -21.298 -1.322 -18.451 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.320 -4.139 -18.260 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.260 -3.585 -20.860 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.577 -3.216 -20.542 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -20.651 -7.014 -21.141 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.574 -5.582 -21.610 1.00 0.00 H new ATOM 241 N GLY A 18 -18.972 -4.003 -17.325 1.00 0.00 N ATOM 242 CA GLY A 18 -17.764 -3.797 -16.547 1.00 0.00 C ATOM 243 C GLY A 18 -17.673 -4.733 -15.359 1.00 0.00 C ATOM 244 O GLY A 18 -18.130 -5.876 -15.405 1.00 0.00 O ATOM 0 H GLY A 18 -19.333 -4.957 -17.311 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.894 -3.942 -17.187 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.733 -2.765 -16.196 1.00 0.00 H new ATOM 248 N PRO A 19 -17.068 -4.249 -14.264 1.00 0.00 N ATOM 249 CA PRO A 19 -16.903 -5.036 -13.038 1.00 0.00 C ATOM 250 C PRO A 19 -18.226 -5.276 -12.320 1.00 0.00 C ATOM 251 O PRO A 19 -19.026 -4.356 -12.149 1.00 0.00 O ATOM 252 CB PRO A 19 -15.980 -4.166 -12.180 1.00 0.00 C ATOM 253 CG PRO A 19 -16.208 -2.777 -12.667 1.00 0.00 C ATOM 254 CD PRO A 19 -16.500 -2.897 -14.138 1.00 0.00 C ATOM 0 HA PRO A 19 -16.507 -6.030 -13.243 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.220 -4.259 -11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.937 -4.460 -12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.041 -2.311 -12.141 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.331 -2.153 -12.493 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.203 -2.133 -14.472 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.597 -2.783 -14.738 1.00 0.00 H new ATOM 262 N ARG A 20 -18.451 -6.518 -11.902 1.00 0.00 N ATOM 263 CA ARG A 20 -19.678 -6.879 -11.203 1.00 0.00 C ATOM 264 C ARG A 20 -19.367 -7.566 -9.877 1.00 0.00 C ATOM 265 O ARG A 20 -19.745 -7.081 -8.810 1.00 0.00 O ATOM 266 CB ARG A 20 -20.537 -7.796 -12.077 1.00 0.00 C ATOM 267 CG ARG A 20 -21.994 -7.854 -11.650 1.00 0.00 C ATOM 268 CD ARG A 20 -22.864 -8.488 -12.724 1.00 0.00 C ATOM 269 NE ARG A 20 -22.791 -9.947 -12.697 1.00 0.00 N ATOM 270 CZ ARG A 20 -23.532 -10.705 -11.897 1.00 0.00 C ATOM 271 NH1 ARG A 20 -24.398 -10.146 -11.063 1.00 0.00 N ATOM 272 NH2 ARG A 20 -23.408 -12.026 -11.931 1.00 0.00 N ATOM 0 H ARG A 20 -17.799 -7.291 -12.036 1.00 0.00 H new ATOM 0 HA ARG A 20 -20.231 -5.963 -10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.483 -7.454 -13.110 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -20.120 -8.803 -12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -22.081 -8.425 -10.726 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.352 -6.847 -11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.898 -8.174 -12.585 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.551 -8.127 -13.704 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.135 -10.409 -13.327 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -24.496 -9.131 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -24.966 -10.731 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.743 -12.460 -12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.977 -12.608 -11.316 1.00 0.00 H new ATOM 286 N LEU A 21 -18.677 -8.699 -9.952 1.00 0.00 N ATOM 287 CA LEU A 21 -18.315 -9.455 -8.758 1.00 0.00 C ATOM 288 C LEU A 21 -17.510 -8.592 -7.791 1.00 0.00 C ATOM 289 O LEU A 21 -16.407 -8.152 -8.110 1.00 0.00 O ATOM 290 CB LEU A 21 -17.511 -10.698 -9.142 1.00 0.00 C ATOM 291 CG LEU A 21 -18.322 -11.899 -9.630 1.00 0.00 C ATOM 292 CD1 LEU A 21 -19.169 -12.465 -8.501 1.00 0.00 C ATOM 293 CD2 LEU A 21 -19.198 -11.506 -10.811 1.00 0.00 C ATOM 0 H LEU A 21 -18.357 -9.114 -10.827 1.00 0.00 H new ATOM 0 HA LEU A 21 -19.234 -9.764 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.804 -10.421 -9.924 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.925 -11.008 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.628 -12.673 -9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -19.739 -13.319 -8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -18.521 -12.784 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -19.855 -11.698 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -19.768 -12.373 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -19.884 -10.715 -10.508 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -18.570 -11.148 -11.627 1.00 0.00 H new ATOM 305 N GLN A 22 -18.070 -8.358 -6.609 1.00 0.00 N ATOM 306 CA GLN A 22 -17.403 -7.550 -5.595 1.00 0.00 C ATOM 307 C GLN A 22 -16.953 -8.413 -4.420 1.00 0.00 C ATOM 308 O GLN A 22 -17.761 -8.804 -3.580 1.00 0.00 O ATOM 309 CB GLN A 22 -18.335 -6.442 -5.102 1.00 0.00 C ATOM 310 CG GLN A 22 -18.530 -5.319 -6.107 1.00 0.00 C ATOM 311 CD GLN A 22 -19.883 -4.647 -5.977 1.00 0.00 C ATOM 312 OE1 GLN A 22 -20.923 -5.299 -6.068 1.00 0.00 O ATOM 313 NE2 GLN A 22 -19.876 -3.337 -5.762 1.00 0.00 N ATOM 0 H GLN A 22 -18.983 -8.716 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.521 -7.098 -6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -19.306 -6.876 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.934 -6.026 -4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.745 -4.575 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.422 -5.717 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -18.990 -2.836 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -20.757 -2.831 -5.665 1.00 0.00 H new ATOM 322 N ASN A 23 -15.657 -8.705 -4.370 1.00 0.00 N ATOM 323 CA ASN A 23 -15.100 -9.523 -3.298 1.00 0.00 C ATOM 324 C ASN A 23 -14.656 -8.653 -2.126 1.00 0.00 C ATOM 325 O ASN A 23 -14.677 -7.425 -2.207 1.00 0.00 O ATOM 326 CB ASN A 23 -13.916 -10.341 -3.817 1.00 0.00 C ATOM 327 CG ASN A 23 -13.705 -11.618 -3.026 1.00 0.00 C ATOM 328 OD1 ASN A 23 -13.196 -11.591 -1.906 1.00 0.00 O ATOM 329 ND2 ASN A 23 -14.097 -12.746 -3.608 1.00 0.00 N ATOM 0 H ASN A 23 -14.974 -8.388 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.878 -10.202 -2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.081 -10.589 -4.865 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.011 -9.735 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.981 -13.637 -3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.514 -12.722 -4.538 1.00 0.00 H new ATOM 336 N SER A 24 -14.255 -9.300 -1.036 1.00 0.00 N ATOM 337 CA SER A 24 -13.810 -8.586 0.156 1.00 0.00 C ATOM 338 C SER A 24 -12.329 -8.843 0.421 1.00 0.00 C ATOM 339 O SER A 24 -11.958 -9.862 1.005 1.00 0.00 O ATOM 340 CB SER A 24 -14.638 -9.011 1.370 1.00 0.00 C ATOM 341 OG SER A 24 -14.417 -8.142 2.467 1.00 0.00 O ATOM 0 H SER A 24 -14.229 -10.316 -0.953 1.00 0.00 H new ATOM 0 HA SER A 24 -13.951 -7.519 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.697 -9.012 1.110 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.378 -10.031 1.652 1.00 0.00 H new ATOM 0 HG SER A 24 -14.959 -8.434 3.230 1.00 0.00 H new ATOM 347 N THR A 25 -11.486 -7.911 -0.014 1.00 0.00 N ATOM 348 CA THR A 25 -10.047 -8.035 0.175 1.00 0.00 C ATOM 349 C THR A 25 -9.525 -6.979 1.142 1.00 0.00 C ATOM 350 O THR A 25 -10.029 -5.856 1.181 1.00 0.00 O ATOM 351 CB THR A 25 -9.292 -7.907 -1.162 1.00 0.00 C ATOM 352 OG1 THR A 25 -10.105 -8.402 -2.232 1.00 0.00 O ATOM 353 CG2 THR A 25 -7.980 -8.675 -1.118 1.00 0.00 C ATOM 0 H THR A 25 -11.776 -7.062 -0.500 1.00 0.00 H new ATOM 0 HA THR A 25 -9.868 -9.026 0.593 1.00 0.00 H new ATOM 0 HB THR A 25 -9.072 -6.853 -1.331 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.619 -8.316 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.465 -8.570 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.352 -8.277 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.182 -9.729 -0.929 1.00 0.00 H new ATOM 361 N TYR A 26 -8.514 -7.345 1.921 1.00 0.00 N ATOM 362 CA TYR A 26 -7.925 -6.428 2.891 1.00 0.00 C ATOM 363 C TYR A 26 -6.732 -5.691 2.289 1.00 0.00 C ATOM 364 O TYR A 26 -5.709 -6.298 1.976 1.00 0.00 O ATOM 365 CB TYR A 26 -7.490 -7.189 4.144 1.00 0.00 C ATOM 366 CG TYR A 26 -8.637 -7.559 5.057 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.811 -8.099 4.547 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.548 -7.367 6.430 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.862 -8.438 5.377 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.593 -7.703 7.268 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.748 -8.238 6.737 1.00 0.00 C ATOM 372 OH TYR A 26 -11.792 -8.574 7.568 1.00 0.00 O ATOM 0 H TYR A 26 -8.085 -8.270 1.900 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.682 -5.693 3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.968 -8.098 3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.777 -6.580 4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.904 -8.257 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.646 -6.948 6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.767 -8.857 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.506 -7.548 8.333 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.290 -9.324 7.181 1.00 0.00 H new ATOM 382 N GLN A 27 -6.874 -4.379 2.132 1.00 0.00 N ATOM 383 CA GLN A 27 -5.808 -3.559 1.568 1.00 0.00 C ATOM 384 C GLN A 27 -4.810 -3.148 2.645 1.00 0.00 C ATOM 385 O GLN A 27 -5.047 -2.204 3.400 1.00 0.00 O ATOM 386 CB GLN A 27 -6.394 -2.315 0.898 1.00 0.00 C ATOM 387 CG GLN A 27 -5.341 -1.326 0.424 1.00 0.00 C ATOM 388 CD GLN A 27 -4.880 -1.601 -0.994 1.00 0.00 C ATOM 389 OE1 GLN A 27 -5.667 -1.533 -1.939 1.00 0.00 O ATOM 390 NE2 GLN A 27 -3.599 -1.913 -1.150 1.00 0.00 N ATOM 0 H GLN A 27 -7.715 -3.862 2.387 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.283 -4.153 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.001 -2.623 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.061 -1.814 1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.745 -0.315 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.483 -1.365 1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.983 -1.958 -0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.231 -2.108 -2.081 1.00 0.00 H new ATOM 399 N CYS A 28 -3.692 -3.863 2.712 1.00 0.00 N ATOM 400 CA CYS A 28 -2.657 -3.574 3.697 1.00 0.00 C ATOM 401 C CYS A 28 -2.249 -2.105 3.643 1.00 0.00 C ATOM 402 O CYS A 28 -1.768 -1.620 2.619 1.00 0.00 O ATOM 403 CB CYS A 28 -1.434 -4.463 3.459 1.00 0.00 C ATOM 404 SG CYS A 28 -0.301 -4.566 4.882 1.00 0.00 S ATOM 0 H CYS A 28 -3.480 -4.647 2.095 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.064 -3.784 4.686 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.772 -5.467 3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.885 -4.084 2.597 1.00 0.00 H new ATOM 409 N LYS A 29 -2.444 -1.401 4.753 1.00 0.00 N ATOM 410 CA LYS A 29 -2.096 0.012 4.835 1.00 0.00 C ATOM 411 C LYS A 29 -0.611 0.190 5.136 1.00 0.00 C ATOM 412 O LYS A 29 -0.172 1.271 5.530 1.00 0.00 O ATOM 413 CB LYS A 29 -2.932 0.703 5.915 1.00 0.00 C ATOM 414 CG LYS A 29 -2.811 0.057 7.284 1.00 0.00 C ATOM 415 CD LYS A 29 -1.795 0.779 8.153 1.00 0.00 C ATOM 416 CE LYS A 29 -2.448 1.874 8.982 1.00 0.00 C ATOM 417 NZ LYS A 29 -2.530 3.160 8.236 1.00 0.00 N ATOM 0 H LYS A 29 -2.842 -1.787 5.609 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.311 0.470 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.626 1.747 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.979 0.698 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.783 0.063 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.518 -0.987 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.306 0.063 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.018 1.213 7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.450 1.559 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.880 2.022 9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.705 3.938 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.634 3.329 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.308 3.113 7.547 1.00 0.00 H new ATOM 431 N HIS A 30 0.159 -0.877 4.945 1.00 0.00 N ATOM 432 CA HIS A 30 1.596 -0.837 5.195 1.00 0.00 C ATOM 433 C HIS A 30 2.376 -0.881 3.884 1.00 0.00 C ATOM 434 O HIS A 30 3.313 -0.109 3.681 1.00 0.00 O ATOM 435 CB HIS A 30 2.012 -2.005 6.089 1.00 0.00 C ATOM 436 CG HIS A 30 1.929 -1.698 7.553 1.00 0.00 C ATOM 437 ND1 HIS A 30 0.775 -1.256 8.165 1.00 0.00 N ATOM 438 CD2 HIS A 30 2.865 -1.772 8.527 1.00 0.00 C ATOM 439 CE1 HIS A 30 1.005 -1.071 9.452 1.00 0.00 C ATOM 440 NE2 HIS A 30 2.267 -1.377 9.698 1.00 0.00 N ATOM 0 H HIS A 30 -0.188 -1.779 4.618 1.00 0.00 H new ATOM 0 HA HIS A 30 1.826 0.099 5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.377 -2.864 5.870 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.034 -2.293 5.844 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.892 -2.084 8.406 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.285 -0.728 10.180 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.722 -1.328 10.609 1.00 0.00 H new ATOM 448 N CYS A 31 1.983 -1.790 2.998 1.00 0.00 N ATOM 449 CA CYS A 31 2.645 -1.936 1.707 1.00 0.00 C ATOM 450 C CYS A 31 1.640 -1.824 0.564 1.00 0.00 C ATOM 451 O CYS A 31 1.981 -2.041 -0.599 1.00 0.00 O ATOM 452 CB CYS A 31 3.371 -3.281 1.633 1.00 0.00 C ATOM 453 SG CYS A 31 2.284 -4.726 1.850 1.00 0.00 S ATOM 0 H CYS A 31 1.209 -2.437 3.150 1.00 0.00 H new ATOM 0 HA CYS A 31 3.373 -1.131 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.872 -3.359 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.147 -3.305 2.398 1.00 0.00 H new ATOM 458 N ASP A 32 0.402 -1.485 0.904 1.00 0.00 N ATOM 459 CA ASP A 32 -0.653 -1.342 -0.093 1.00 0.00 C ATOM 460 C ASP A 32 -0.948 -2.679 -0.766 1.00 0.00 C ATOM 461 O ASP A 32 -1.403 -2.722 -1.909 1.00 0.00 O ATOM 462 CB ASP A 32 -0.255 -0.304 -1.143 1.00 0.00 C ATOM 463 CG ASP A 32 -0.716 1.093 -0.780 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.893 1.365 0.426 1.00 0.00 O ATOM 465 OD2 ASP A 32 -0.902 1.916 -1.702 1.00 0.00 O ATOM 0 H ASP A 32 0.104 -1.304 1.862 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.556 -1.004 0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.829 -0.307 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.680 -0.585 -2.107 1.00 0.00 H new ATOM 470 N SER A 33 -0.683 -3.767 -0.051 1.00 0.00 N ATOM 471 CA SER A 33 -0.915 -5.106 -0.582 1.00 0.00 C ATOM 472 C SER A 33 -2.383 -5.497 -0.445 1.00 0.00 C ATOM 473 O SER A 33 -3.218 -4.690 -0.035 1.00 0.00 O ATOM 474 CB SER A 33 -0.034 -6.125 0.144 1.00 0.00 C ATOM 475 OG SER A 33 1.270 -6.158 -0.410 1.00 0.00 O ATOM 0 H SER A 33 -0.308 -3.748 0.897 1.00 0.00 H new ATOM 0 HA SER A 33 -0.655 -5.101 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.024 -5.872 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.486 -7.115 0.077 1.00 0.00 H new ATOM 0 HG SER A 33 1.848 -5.534 0.077 1.00 0.00 H new ATOM 481 N LYS A 34 -2.692 -6.742 -0.793 1.00 0.00 N ATOM 482 CA LYS A 34 -4.058 -7.244 -0.709 1.00 0.00 C ATOM 483 C LYS A 34 -4.090 -8.636 -0.087 1.00 0.00 C ATOM 484 O LYS A 34 -3.351 -9.530 -0.503 1.00 0.00 O ATOM 485 CB LYS A 34 -4.696 -7.280 -2.100 1.00 0.00 C ATOM 486 CG LYS A 34 -4.809 -5.914 -2.754 1.00 0.00 C ATOM 487 CD LYS A 34 -5.899 -5.891 -3.813 1.00 0.00 C ATOM 488 CE LYS A 34 -6.028 -4.516 -4.450 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.609 -3.520 -3.507 1.00 0.00 N ATOM 0 H LYS A 34 -2.014 -7.422 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.628 -6.568 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.107 -7.934 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.690 -7.720 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.023 -5.162 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.854 -5.646 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.676 -6.630 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.850 -6.176 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.047 -4.175 -4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.656 -4.585 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.209 -2.853 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.183 -4.012 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.842 -2.999 -3.036 1.00 0.00 H new ATOM 503 N LEU A 35 -4.949 -8.814 0.910 1.00 0.00 N ATOM 504 CA LEU A 35 -5.078 -10.099 1.589 1.00 0.00 C ATOM 505 C LEU A 35 -6.518 -10.597 1.542 1.00 0.00 C ATOM 506 O LEU A 35 -7.447 -9.820 1.320 1.00 0.00 O ATOM 507 CB LEU A 35 -4.614 -9.979 3.042 1.00 0.00 C ATOM 508 CG LEU A 35 -3.103 -10.031 3.271 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.394 -9.021 2.383 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.777 -9.778 4.735 1.00 0.00 C ATOM 0 H LEU A 35 -5.567 -8.085 1.267 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.447 -10.821 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.990 -9.039 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.076 -10.781 3.617 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.749 -11.028 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.320 -9.072 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.601 -9.248 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.752 -8.018 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.697 -9.819 4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.145 -8.794 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.255 -10.540 5.351 1.00 0.00 H new ATOM 522 N GLN A 36 -6.697 -11.897 1.755 1.00 0.00 N ATOM 523 CA GLN A 36 -8.025 -12.498 1.739 1.00 0.00 C ATOM 524 C GLN A 36 -8.907 -11.900 2.830 1.00 0.00 C ATOM 525 O GLN A 36 -9.976 -11.359 2.550 1.00 0.00 O ATOM 526 CB GLN A 36 -7.924 -14.014 1.922 1.00 0.00 C ATOM 527 CG GLN A 36 -9.051 -14.784 1.252 1.00 0.00 C ATOM 528 CD GLN A 36 -9.048 -16.256 1.615 1.00 0.00 C ATOM 529 OE1 GLN A 36 -8.354 -17.059 0.992 1.00 0.00 O ATOM 530 NE2 GLN A 36 -9.827 -16.617 2.628 1.00 0.00 N ATOM 0 H GLN A 36 -5.939 -12.554 1.941 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.481 -12.285 0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.971 -14.358 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.921 -14.244 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.007 -14.345 1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.964 -14.680 0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.386 -15.917 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.867 -17.594 2.918 1.00 0.00 H new ATOM 539 N SER A 37 -8.451 -12.002 4.074 1.00 0.00 N ATOM 540 CA SER A 37 -9.201 -11.475 5.209 1.00 0.00 C ATOM 541 C SER A 37 -8.257 -11.003 6.311 1.00 0.00 C ATOM 542 O SER A 37 -7.036 -11.059 6.166 1.00 0.00 O ATOM 543 CB SER A 37 -10.152 -12.540 5.758 1.00 0.00 C ATOM 544 OG SER A 37 -11.250 -12.742 4.884 1.00 0.00 O ATOM 0 H SER A 37 -7.566 -12.445 4.322 1.00 0.00 H new ATOM 0 HA SER A 37 -9.784 -10.621 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.614 -13.478 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.515 -12.236 6.740 1.00 0.00 H new ATOM 0 HG SER A 37 -11.842 -13.428 5.256 1.00 0.00 H new ATOM 550 N THR A 38 -8.834 -10.537 7.415 1.00 0.00 N ATOM 551 CA THR A 38 -8.047 -10.053 8.542 1.00 0.00 C ATOM 552 C THR A 38 -7.111 -11.138 9.065 1.00 0.00 C ATOM 553 O THR A 38 -5.994 -10.852 9.494 1.00 0.00 O ATOM 554 CB THR A 38 -8.950 -9.572 9.693 1.00 0.00 C ATOM 555 OG1 THR A 38 -8.327 -8.483 10.382 1.00 0.00 O ATOM 556 CG2 THR A 38 -9.230 -10.704 10.671 1.00 0.00 C ATOM 0 H THR A 38 -9.843 -10.485 7.552 1.00 0.00 H new ATOM 0 HA THR A 38 -7.457 -9.212 8.177 1.00 0.00 H new ATOM 0 HB THR A 38 -9.896 -9.238 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.908 -8.182 11.111 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.870 -10.340 11.475 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.731 -11.520 10.150 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.290 -11.064 11.090 1.00 0.00 H new ATOM 564 N ALA A 39 -7.575 -12.382 9.025 1.00 0.00 N ATOM 565 CA ALA A 39 -6.778 -13.510 9.492 1.00 0.00 C ATOM 566 C ALA A 39 -5.394 -13.506 8.852 1.00 0.00 C ATOM 567 O ALA A 39 -4.399 -13.823 9.503 1.00 0.00 O ATOM 568 CB ALA A 39 -7.494 -14.820 9.198 1.00 0.00 C ATOM 0 H ALA A 39 -8.499 -12.635 8.674 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.651 -13.412 10.570 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.887 -15.654 9.552 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.458 -14.830 9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.651 -14.916 8.124 1.00 0.00 H new ATOM 574 N GLU A 40 -5.339 -13.146 7.574 1.00 0.00 N ATOM 575 CA GLU A 40 -4.075 -13.103 6.847 1.00 0.00 C ATOM 576 C GLU A 40 -3.284 -11.848 7.204 1.00 0.00 C ATOM 577 O GLU A 40 -2.053 -11.864 7.234 1.00 0.00 O ATOM 578 CB GLU A 40 -4.328 -13.148 5.338 1.00 0.00 C ATOM 579 CG GLU A 40 -4.445 -14.557 4.782 1.00 0.00 C ATOM 580 CD GLU A 40 -5.011 -14.584 3.376 1.00 0.00 C ATOM 581 OE1 GLU A 40 -4.722 -13.646 2.603 1.00 0.00 O ATOM 582 OE2 GLU A 40 -5.742 -15.541 3.048 1.00 0.00 O ATOM 0 H GLU A 40 -6.154 -12.880 7.021 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.489 -13.975 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.244 -12.601 5.115 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.516 -12.631 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.461 -15.027 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.082 -15.151 5.438 1.00 0.00 H new ATOM 589 N LEU A 41 -3.999 -10.762 7.475 1.00 0.00 N ATOM 590 CA LEU A 41 -3.365 -9.497 7.830 1.00 0.00 C ATOM 591 C LEU A 41 -2.629 -9.612 9.161 1.00 0.00 C ATOM 592 O LEU A 41 -1.514 -9.113 9.312 1.00 0.00 O ATOM 593 CB LEU A 41 -4.411 -8.384 7.907 1.00 0.00 C ATOM 594 CG LEU A 41 -3.876 -6.954 7.833 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.169 -6.716 6.508 1.00 0.00 C ATOM 596 CD2 LEU A 41 -5.004 -5.951 8.025 1.00 0.00 C ATOM 0 H LEU A 41 -5.018 -10.732 7.456 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.639 -9.252 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.124 -8.526 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.964 -8.496 8.840 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.153 -6.816 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.795 -5.693 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.335 -7.411 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.870 -6.874 5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.604 -4.939 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.751 -6.090 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.466 -6.105 9.000 1.00 0.00 H new ATOM 608 N THR A 42 -3.260 -10.275 10.125 1.00 0.00 N ATOM 609 CA THR A 42 -2.666 -10.457 11.444 1.00 0.00 C ATOM 610 C THR A 42 -1.252 -11.018 11.337 1.00 0.00 C ATOM 611 O THR A 42 -0.373 -10.664 12.122 1.00 0.00 O ATOM 612 CB THR A 42 -3.515 -11.399 12.318 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.823 -10.847 12.506 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.855 -11.624 13.670 1.00 0.00 C ATOM 0 H THR A 42 -4.183 -10.695 10.017 1.00 0.00 H new ATOM 0 HA THR A 42 -2.630 -9.474 11.913 1.00 0.00 H new ATOM 0 HB THR A 42 -3.596 -12.358 11.807 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.307 -10.856 11.654 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.473 -12.292 14.270 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.872 -12.071 13.525 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.747 -10.670 14.185 1.00 0.00 H new ATOM 622 N SER A 43 -1.040 -11.894 10.359 1.00 0.00 N ATOM 623 CA SER A 43 0.267 -12.506 10.152 1.00 0.00 C ATOM 624 C SER A 43 1.114 -11.668 9.199 1.00 0.00 C ATOM 625 O SER A 43 2.288 -11.407 9.459 1.00 0.00 O ATOM 626 CB SER A 43 0.107 -13.923 9.599 1.00 0.00 C ATOM 627 OG SER A 43 -0.097 -14.858 10.644 1.00 0.00 O ATOM 0 H SER A 43 -1.756 -12.195 9.698 1.00 0.00 H new ATOM 0 HA SER A 43 0.776 -12.555 11.115 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.736 -13.954 8.909 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.995 -14.197 9.030 1.00 0.00 H new ATOM 0 HG SER A 43 -0.198 -15.756 10.264 1.00 0.00 H new ATOM 633 N HIS A 44 0.508 -11.249 8.092 1.00 0.00 N ATOM 634 CA HIS A 44 1.205 -10.440 7.098 1.00 0.00 C ATOM 635 C HIS A 44 1.890 -9.244 7.755 1.00 0.00 C ATOM 636 O HIS A 44 3.088 -9.025 7.572 1.00 0.00 O ATOM 637 CB HIS A 44 0.228 -9.957 6.026 1.00 0.00 C ATOM 638 CG HIS A 44 0.868 -9.109 4.971 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.550 -9.635 3.893 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.927 -7.764 4.831 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.001 -8.650 3.137 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.636 -7.504 3.684 1.00 0.00 N ATOM 0 H HIS A 44 -0.464 -11.456 7.861 1.00 0.00 H new ATOM 0 HA HIS A 44 1.968 -11.062 6.629 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.236 -10.822 5.553 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.570 -9.388 6.503 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.685 -10.629 3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.496 -7.031 5.498 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.571 -8.762 2.227 1.00 0.00 H new ATOM 650 N LEU A 45 1.121 -8.475 8.518 1.00 0.00 N ATOM 651 CA LEU A 45 1.653 -7.301 9.201 1.00 0.00 C ATOM 652 C LEU A 45 2.952 -7.635 9.928 1.00 0.00 C ATOM 653 O LEU A 45 3.944 -6.918 9.808 1.00 0.00 O ATOM 654 CB LEU A 45 0.626 -6.755 10.194 1.00 0.00 C ATOM 655 CG LEU A 45 -0.378 -5.746 9.635 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.465 -5.452 10.657 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.329 -4.463 9.221 1.00 0.00 C ATOM 0 H LEU A 45 0.128 -8.643 8.679 1.00 0.00 H new ATOM 0 HA LEU A 45 1.864 -6.540 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.072 -7.595 10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.162 -6.285 11.019 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.847 -6.180 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.170 -4.732 10.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.991 -6.374 10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.014 -5.039 11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.401 -3.757 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.825 -4.025 10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.070 -4.687 8.453 1.00 0.00 H new ATOM 669 N ASN A 46 2.938 -8.731 10.679 1.00 0.00 N ATOM 670 CA ASN A 46 4.115 -9.162 11.424 1.00 0.00 C ATOM 671 C ASN A 46 5.369 -9.072 10.560 1.00 0.00 C ATOM 672 O ASN A 46 6.405 -8.574 11.001 1.00 0.00 O ATOM 673 CB ASN A 46 3.930 -10.596 11.926 1.00 0.00 C ATOM 674 CG ASN A 46 2.751 -10.730 12.871 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.458 -9.821 13.648 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.069 -11.868 12.808 1.00 0.00 N ATOM 0 H ASN A 46 2.125 -9.337 10.788 1.00 0.00 H new ATOM 0 HA ASN A 46 4.236 -8.497 12.279 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.787 -11.261 11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.838 -10.920 12.434 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.266 -12.016 13.419 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.348 -12.594 12.148 1.00 0.00 H new ATOM 683 N ILE A 47 5.267 -9.557 9.327 1.00 0.00 N ATOM 684 CA ILE A 47 6.392 -9.530 8.400 1.00 0.00 C ATOM 685 C ILE A 47 7.064 -8.161 8.392 1.00 0.00 C ATOM 686 O ILE A 47 8.282 -8.056 8.238 1.00 0.00 O ATOM 687 CB ILE A 47 5.949 -9.880 6.967 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.327 -11.277 6.930 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.131 -9.794 6.012 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.597 -11.579 5.640 1.00 0.00 C ATOM 0 H ILE A 47 4.417 -9.973 8.947 1.00 0.00 H new ATOM 0 HA ILE A 47 7.104 -10.280 8.745 1.00 0.00 H new ATOM 0 HB ILE A 47 5.196 -9.159 6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.112 -12.019 7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.632 -11.379 7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.803 -10.044 5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.534 -8.781 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.904 -10.495 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.182 -12.586 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.790 -10.859 5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.292 -11.510 4.804 1.00 0.00 H new ATOM 702 N HIS A 48 6.264 -7.113 8.562 1.00 0.00 N ATOM 703 CA HIS A 48 6.782 -5.750 8.577 1.00 0.00 C ATOM 704 C HIS A 48 7.562 -5.479 9.860 1.00 0.00 C ATOM 705 O HIS A 48 8.682 -4.973 9.821 1.00 0.00 O ATOM 706 CB HIS A 48 5.637 -4.745 8.440 1.00 0.00 C ATOM 707 CG HIS A 48 4.998 -4.747 7.085 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.708 -4.934 5.918 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.706 -4.583 6.716 1.00 0.00 C ATOM 710 CE1 HIS A 48 4.881 -4.885 4.890 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.660 -4.673 5.347 1.00 0.00 N ATOM 0 H HIS A 48 5.255 -7.182 8.691 1.00 0.00 H new ATOM 0 HA HIS A 48 7.459 -5.636 7.730 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.878 -4.966 9.191 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.015 -3.745 8.653 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.715 -5.086 5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.868 -4.413 7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.156 -4.999 3.852 1.00 0.00 H new ATOM 719 N ASN A 49 6.960 -5.820 10.995 1.00 0.00 N ATOM 720 CA ASN A 49 7.598 -5.612 12.290 1.00 0.00 C ATOM 721 C ASN A 49 8.882 -6.428 12.401 1.00 0.00 C ATOM 722 O ASN A 49 9.947 -5.890 12.702 1.00 0.00 O ATOM 723 CB ASN A 49 6.639 -5.991 13.421 1.00 0.00 C ATOM 724 CG ASN A 49 5.429 -5.079 13.483 1.00 0.00 C ATOM 725 OD1 ASN A 49 5.448 -3.968 12.954 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.369 -5.547 14.132 1.00 0.00 N ATOM 0 H ASN A 49 6.032 -6.241 11.044 1.00 0.00 H new ATOM 0 HA ASN A 49 7.852 -4.556 12.377 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.308 -7.020 13.283 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.170 -5.951 14.372 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.525 -4.979 14.207 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.399 -6.475 14.555 1.00 0.00 H new ATOM 733 N GLU A 50 8.772 -7.730 12.156 1.00 0.00 N ATOM 734 CA GLU A 50 9.925 -8.620 12.229 1.00 0.00 C ATOM 735 C GLU A 50 11.073 -8.095 11.372 1.00 0.00 C ATOM 736 O GLU A 50 12.233 -8.136 11.780 1.00 0.00 O ATOM 737 CB GLU A 50 9.538 -10.030 11.775 1.00 0.00 C ATOM 738 CG GLU A 50 9.386 -10.163 10.269 1.00 0.00 C ATOM 739 CD GLU A 50 9.086 -11.586 9.837 1.00 0.00 C ATOM 740 OE1 GLU A 50 7.946 -12.045 10.060 1.00 0.00 O ATOM 741 OE2 GLU A 50 9.990 -12.239 9.277 1.00 0.00 O ATOM 0 H GLU A 50 7.897 -8.191 11.906 1.00 0.00 H new ATOM 0 HA GLU A 50 10.257 -8.658 13.266 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.295 -10.734 12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.600 -10.312 12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.584 -9.507 9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.302 -9.825 9.784 1.00 0.00 H new ATOM 748 N GLU A 51 10.740 -7.603 10.183 1.00 0.00 N ATOM 749 CA GLU A 51 11.743 -7.071 9.268 1.00 0.00 C ATOM 750 C GLU A 51 12.301 -5.747 9.782 1.00 0.00 C ATOM 751 O GLU A 51 13.512 -5.526 9.775 1.00 0.00 O ATOM 752 CB GLU A 51 11.143 -6.878 7.874 1.00 0.00 C ATOM 753 CG GLU A 51 10.804 -8.181 7.171 1.00 0.00 C ATOM 754 CD GLU A 51 11.979 -8.750 6.399 1.00 0.00 C ATOM 755 OE1 GLU A 51 12.890 -9.318 7.038 1.00 0.00 O ATOM 756 OE2 GLU A 51 11.988 -8.626 5.156 1.00 0.00 O ATOM 0 H GLU A 51 9.784 -7.562 9.831 1.00 0.00 H new ATOM 0 HA GLU A 51 12.560 -7.790 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.239 -6.274 7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.846 -6.316 7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.471 -8.911 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.971 -8.015 6.488 1.00 0.00 H new ATOM 763 N PHE A 52 11.408 -4.869 10.228 1.00 0.00 N ATOM 764 CA PHE A 52 11.810 -3.566 10.744 1.00 0.00 C ATOM 765 C PHE A 52 12.764 -3.719 11.925 1.00 0.00 C ATOM 766 O PHE A 52 13.810 -3.074 11.979 1.00 0.00 O ATOM 767 CB PHE A 52 10.580 -2.761 11.169 1.00 0.00 C ATOM 768 CG PHE A 52 10.917 -1.465 11.850 1.00 0.00 C ATOM 769 CD1 PHE A 52 11.576 -0.458 11.163 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.575 -1.254 13.176 1.00 0.00 C ATOM 771 CE1 PHE A 52 11.888 0.736 11.787 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.884 -0.063 13.804 1.00 0.00 C ATOM 773 CZ PHE A 52 11.542 0.933 13.109 1.00 0.00 C ATOM 0 H PHE A 52 10.402 -5.036 10.242 1.00 0.00 H new ATOM 0 HA PHE A 52 12.328 -3.032 9.948 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.971 -2.552 10.290 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.973 -3.368 11.841 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.849 -0.607 10.129 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.061 -2.029 13.725 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.402 1.513 11.241 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.611 0.089 14.838 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.785 1.864 13.599 1.00 0.00 H new ATOM 783 N GLN A 53 12.394 -4.578 12.870 1.00 0.00 N ATOM 784 CA GLN A 53 13.215 -4.816 14.050 1.00 0.00 C ATOM 785 C GLN A 53 14.693 -4.894 13.679 1.00 0.00 C ATOM 786 O GLN A 53 15.532 -4.225 14.282 1.00 0.00 O ATOM 787 CB GLN A 53 12.784 -6.107 14.747 1.00 0.00 C ATOM 788 CG GLN A 53 13.038 -6.105 16.246 1.00 0.00 C ATOM 789 CD GLN A 53 12.440 -4.896 16.937 1.00 0.00 C ATOM 790 OE1 GLN A 53 11.316 -4.945 17.437 1.00 0.00 O ATOM 791 NE2 GLN A 53 13.190 -3.800 16.970 1.00 0.00 N ATOM 0 H GLN A 53 11.531 -5.120 12.841 1.00 0.00 H new ATOM 0 HA GLN A 53 13.074 -3.978 14.733 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.721 -6.269 14.568 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.315 -6.947 14.298 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.620 -7.012 16.683 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.112 -6.129 16.429 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.116 -3.803 16.543 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.840 -2.956 17.422 1.00 0.00 H new ATOM 800 N LYS A 54 15.004 -5.715 12.682 1.00 0.00 N ATOM 801 CA LYS A 54 16.380 -5.881 12.228 1.00 0.00 C ATOM 802 C LYS A 54 17.003 -4.533 11.878 1.00 0.00 C ATOM 803 O LYS A 54 17.997 -4.124 12.478 1.00 0.00 O ATOM 804 CB LYS A 54 16.429 -6.809 11.012 1.00 0.00 C ATOM 805 CG LYS A 54 17.714 -7.612 10.912 1.00 0.00 C ATOM 806 CD LYS A 54 17.667 -8.851 11.790 1.00 0.00 C ATOM 807 CE LYS A 54 18.723 -9.866 11.379 1.00 0.00 C ATOM 808 NZ LYS A 54 18.500 -11.190 12.024 1.00 0.00 N ATOM 0 H LYS A 54 14.322 -6.276 12.172 1.00 0.00 H new ATOM 0 HA LYS A 54 16.954 -6.327 13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.584 -7.496 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.311 -6.214 10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 54 17.881 -7.906 9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.558 -6.988 11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.820 -8.566 12.831 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.679 -9.306 11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.712 -9.983 10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 54 19.711 -9.492 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 19.240 -11.854 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.536 -11.083 13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.568 -11.559 11.746 1.00 0.00 H new ATOM 822 N ARG A 55 16.412 -3.848 10.904 1.00 0.00 N ATOM 823 CA ARG A 55 16.910 -2.547 10.475 1.00 0.00 C ATOM 824 C ARG A 55 17.359 -1.714 11.673 1.00 0.00 C ATOM 825 O ARG A 55 18.276 -0.901 11.567 1.00 0.00 O ATOM 826 CB ARG A 55 15.830 -1.796 9.695 1.00 0.00 C ATOM 827 CG ARG A 55 15.305 -2.561 8.491 1.00 0.00 C ATOM 828 CD ARG A 55 16.074 -2.210 7.228 1.00 0.00 C ATOM 829 NE ARG A 55 15.944 -0.797 6.883 1.00 0.00 N ATOM 830 CZ ARG A 55 16.095 -0.324 5.651 1.00 0.00 C ATOM 831 NH1 ARG A 55 16.380 -1.148 4.651 1.00 0.00 N ATOM 832 NH2 ARG A 55 15.961 0.975 5.416 1.00 0.00 N ATOM 0 H ARG A 55 15.588 -4.172 10.398 1.00 0.00 H new ATOM 0 HA ARG A 55 17.770 -2.711 9.826 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.999 -1.574 10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 55 16.234 -0.841 9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.381 -3.632 8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.248 -2.336 8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 55 17.127 -2.454 7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.711 -2.820 6.401 1.00 0.00 H new ATOM 0 HE ARG A 55 15.725 -0.137 7.629 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.484 -2.147 4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.495 -0.782 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.742 1.612 6.182 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.077 1.337 4.469 1.00 0.00 H new ATOM 846 N ALA A 56 16.705 -1.924 12.811 1.00 0.00 N ATOM 847 CA ALA A 56 17.038 -1.194 14.028 1.00 0.00 C ATOM 848 C ALA A 56 18.216 -1.839 14.750 1.00 0.00 C ATOM 849 O ALA A 56 18.325 -1.763 15.974 1.00 0.00 O ATOM 850 CB ALA A 56 15.828 -1.123 14.948 1.00 0.00 C ATOM 0 H ALA A 56 15.942 -2.593 12.915 1.00 0.00 H new ATOM 0 HA ALA A 56 17.328 -0.181 13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.091 -0.575 15.853 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.012 -0.611 14.438 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.513 -2.132 15.213 1.00 0.00 H new ATOM 856 N LYS A 57 19.096 -2.476 13.985 1.00 0.00 N ATOM 857 CA LYS A 57 20.267 -3.135 14.551 1.00 0.00 C ATOM 858 C LYS A 57 21.025 -2.192 15.480 1.00 0.00 C ATOM 859 O LYS A 57 21.395 -2.568 16.593 1.00 0.00 O ATOM 860 CB LYS A 57 21.194 -3.621 13.434 1.00 0.00 C ATOM 861 CG LYS A 57 20.924 -5.050 12.999 1.00 0.00 C ATOM 862 CD LYS A 57 21.796 -6.038 13.756 1.00 0.00 C ATOM 863 CE LYS A 57 21.129 -6.497 15.043 1.00 0.00 C ATOM 864 NZ LYS A 57 22.002 -7.419 15.822 1.00 0.00 N ATOM 0 H LYS A 57 19.020 -2.550 12.970 1.00 0.00 H new ATOM 0 HA LYS A 57 19.926 -3.993 15.131 1.00 0.00 H new ATOM 0 HB2 LYS A 57 21.088 -2.962 12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 57 22.228 -3.542 13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 57 19.874 -5.289 13.165 1.00 0.00 H new ATOM 0 HG3 LYS A 57 21.108 -5.146 11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 57 22.002 -6.902 13.124 1.00 0.00 H new ATOM 0 HD3 LYS A 57 22.756 -5.575 13.987 1.00 0.00 H new ATOM 0 HE2 LYS A 57 20.882 -5.629 15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 57 20.190 -6.998 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 21.512 -7.709 16.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 22.218 -8.260 15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 22.887 -6.933 16.070 1.00 0.00 H new ATOM 878 N ARG A 58 21.252 -0.967 15.018 1.00 0.00 N ATOM 879 CA ARG A 58 21.965 0.028 15.808 1.00 0.00 C ATOM 880 C ARG A 58 21.307 0.213 17.173 1.00 0.00 C ATOM 881 O ARG A 58 20.288 -0.410 17.469 1.00 0.00 O ATOM 882 CB ARG A 58 22.008 1.365 15.066 1.00 0.00 C ATOM 883 CG ARG A 58 22.864 1.338 13.811 1.00 0.00 C ATOM 884 CD ARG A 58 24.346 1.420 14.145 1.00 0.00 C ATOM 885 NE ARG A 58 25.173 1.512 12.946 1.00 0.00 N ATOM 886 CZ ARG A 58 25.340 0.509 12.090 1.00 0.00 C ATOM 887 NH1 ARG A 58 24.739 -0.653 12.300 1.00 0.00 N ATOM 888 NH2 ARG A 58 26.109 0.670 11.020 1.00 0.00 N ATOM 0 H ARG A 58 20.952 -0.640 14.100 1.00 0.00 H new ATOM 0 HA ARG A 58 22.984 -0.328 15.960 1.00 0.00 H new ATOM 0 HB2 ARG A 58 20.992 1.654 14.796 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.390 2.132 15.739 1.00 0.00 H new ATOM 0 HG2 ARG A 58 22.666 0.422 13.254 1.00 0.00 H new ATOM 0 HG3 ARG A 58 22.589 2.171 13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 58 24.527 2.289 14.778 1.00 0.00 H new ATOM 0 HD3 ARG A 58 24.637 0.541 14.720 1.00 0.00 H new ATOM 0 HE ARG A 58 25.649 2.394 12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 58 24.146 -0.780 13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 58 24.869 -1.421 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 58 26.572 1.564 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 58 26.237 -0.100 10.363 1.00 0.00 H new ATOM 902 N GLN A 59 21.898 1.071 17.998 1.00 0.00 N ATOM 903 CA GLN A 59 21.369 1.336 19.331 1.00 0.00 C ATOM 904 C GLN A 59 19.901 1.742 19.263 1.00 0.00 C ATOM 905 O GLN A 59 19.563 2.796 18.724 1.00 0.00 O ATOM 906 CB GLN A 59 22.183 2.434 20.016 1.00 0.00 C ATOM 907 CG GLN A 59 22.182 2.335 21.533 1.00 0.00 C ATOM 908 CD GLN A 59 22.993 1.160 22.043 1.00 0.00 C ATOM 909 OE1 GLN A 59 22.439 0.170 22.522 1.00 0.00 O ATOM 910 NE2 GLN A 59 24.313 1.263 21.941 1.00 0.00 N ATOM 0 H GLN A 59 22.743 1.594 17.767 1.00 0.00 H new ATOM 0 HA GLN A 59 21.446 0.419 19.914 1.00 0.00 H new ATOM 0 HB2 GLN A 59 23.212 2.389 19.658 1.00 0.00 H new ATOM 0 HB3 GLN A 59 21.785 3.406 19.723 1.00 0.00 H new ATOM 0 HG2 GLN A 59 22.582 3.257 21.953 1.00 0.00 H new ATOM 0 HG3 GLN A 59 21.155 2.243 21.886 1.00 0.00 H new ATOM 0 HE21 GLN A 59 24.729 2.102 21.537 1.00 0.00 H new ATOM 0 HE22 GLN A 59 24.911 0.503 22.266 1.00 0.00 H new ATOM 919 N GLU A 60 19.032 0.899 19.813 1.00 0.00 N ATOM 920 CA GLU A 60 17.600 1.171 19.814 1.00 0.00 C ATOM 921 C GLU A 60 17.308 2.552 20.395 1.00 0.00 C ATOM 922 O GLU A 60 18.193 3.200 20.955 1.00 0.00 O ATOM 923 CB GLU A 60 16.855 0.101 20.614 1.00 0.00 C ATOM 924 CG GLU A 60 17.015 -1.301 20.052 1.00 0.00 C ATOM 925 CD GLU A 60 18.293 -1.973 20.513 1.00 0.00 C ATOM 926 OE1 GLU A 60 18.821 -1.577 21.574 1.00 0.00 O ATOM 927 OE2 GLU A 60 18.766 -2.894 19.815 1.00 0.00 O ATOM 0 H GLU A 60 19.295 0.022 20.263 1.00 0.00 H new ATOM 0 HA GLU A 60 17.252 1.150 18.781 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.213 0.114 21.643 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.795 0.353 20.642 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.161 -1.908 20.352 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.006 -1.255 18.963 1.00 0.00 H new ATOM 934 N ARG A 61 16.063 2.995 20.257 1.00 0.00 N ATOM 935 CA ARG A 61 15.655 4.298 20.766 1.00 0.00 C ATOM 936 C ARG A 61 14.907 4.156 22.088 1.00 0.00 C ATOM 937 O ARG A 61 14.411 3.078 22.419 1.00 0.00 O ATOM 938 CB ARG A 61 14.772 5.016 19.743 1.00 0.00 C ATOM 939 CG ARG A 61 15.522 5.464 18.500 1.00 0.00 C ATOM 940 CD ARG A 61 15.733 4.311 17.531 1.00 0.00 C ATOM 941 NE ARG A 61 14.471 3.808 16.995 1.00 0.00 N ATOM 942 CZ ARG A 61 13.732 4.469 16.111 1.00 0.00 C ATOM 943 NH1 ARG A 61 14.128 5.653 15.665 1.00 0.00 N ATOM 944 NH2 ARG A 61 12.595 3.946 15.671 1.00 0.00 N ATOM 0 H ARG A 61 15.319 2.470 19.797 1.00 0.00 H new ATOM 0 HA ARG A 61 16.554 4.890 20.939 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.960 4.352 19.447 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.317 5.886 20.216 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.965 6.260 18.005 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.487 5.881 18.787 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.370 4.640 16.710 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.259 3.503 18.039 1.00 0.00 H new ATOM 0 HE ARG A 61 14.139 2.899 17.317 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.002 6.058 16.001 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.559 6.159 14.986 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.287 3.035 16.012 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.029 4.455 14.992 1.00 0.00 H new ATOM 958 N ARG A 62 14.829 5.249 22.840 1.00 0.00 N ATOM 959 CA ARG A 62 14.143 5.245 24.126 1.00 0.00 C ATOM 960 C ARG A 62 12.942 6.186 24.105 1.00 0.00 C ATOM 961 O ARG A 62 12.694 6.916 25.065 1.00 0.00 O ATOM 962 CB ARG A 62 15.106 5.654 25.243 1.00 0.00 C ATOM 963 CG ARG A 62 15.854 4.485 25.861 1.00 0.00 C ATOM 964 CD ARG A 62 16.983 4.008 24.961 1.00 0.00 C ATOM 965 NE ARG A 62 17.672 2.846 25.517 1.00 0.00 N ATOM 966 CZ ARG A 62 18.446 2.039 24.800 1.00 0.00 C ATOM 967 NH1 ARG A 62 18.629 2.265 23.507 1.00 0.00 N ATOM 968 NH2 ARG A 62 19.040 1.002 25.378 1.00 0.00 N ATOM 0 H ARG A 62 15.233 6.149 22.580 1.00 0.00 H new ATOM 0 HA ARG A 62 13.786 4.233 24.316 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.828 6.367 24.845 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.546 6.169 26.023 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.259 4.781 26.829 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.161 3.664 26.044 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.582 3.756 23.979 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.698 4.818 24.816 1.00 0.00 H new ATOM 0 HE ARG A 62 17.552 2.643 26.509 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.175 3.061 23.059 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.224 1.643 22.960 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.902 0.825 26.373 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.634 0.382 24.827 1.00 0.00 H new ATOM 982 N LYS A 63 12.200 6.165 23.003 1.00 0.00 N ATOM 983 CA LYS A 63 11.024 7.015 22.855 1.00 0.00 C ATOM 984 C LYS A 63 9.788 6.182 22.530 1.00 0.00 C ATOM 985 O LYS A 63 8.892 6.637 21.820 1.00 0.00 O ATOM 986 CB LYS A 63 11.256 8.054 21.756 1.00 0.00 C ATOM 987 CG LYS A 63 12.553 8.829 21.915 1.00 0.00 C ATOM 988 CD LYS A 63 12.734 9.847 20.802 1.00 0.00 C ATOM 989 CE LYS A 63 14.135 10.439 20.810 1.00 0.00 C ATOM 990 NZ LYS A 63 14.226 11.634 21.694 1.00 0.00 N ATOM 0 H LYS A 63 12.392 5.568 22.199 1.00 0.00 H new ATOM 0 HA LYS A 63 10.855 7.528 23.802 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.259 7.552 20.788 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.422 8.756 21.749 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.558 9.338 22.879 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.394 8.136 21.916 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.544 9.373 19.839 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.000 10.645 20.915 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.846 9.684 21.145 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.418 10.716 19.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.196 12.009 21.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.565 12.364 21.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.980 11.365 22.668 1.00 0.00 H new ATOM 1004 N GLN A 64 9.747 4.962 23.056 1.00 0.00 N ATOM 1005 CA GLN A 64 8.620 4.067 22.821 1.00 0.00 C ATOM 1006 C GLN A 64 8.155 3.424 24.124 1.00 0.00 C ATOM 1007 O GLN A 64 6.957 3.347 24.398 1.00 0.00 O ATOM 1008 CB GLN A 64 9.004 2.983 21.812 1.00 0.00 C ATOM 1009 CG GLN A 64 10.309 2.279 22.143 1.00 0.00 C ATOM 1010 CD GLN A 64 10.645 1.179 21.155 1.00 0.00 C ATOM 1011 OE1 GLN A 64 9.756 0.524 20.611 1.00 0.00 O ATOM 1012 NE2 GLN A 64 11.935 0.970 20.917 1.00 0.00 N ATOM 0 H GLN A 64 10.480 4.571 23.647 1.00 0.00 H new ATOM 0 HA GLN A 64 7.798 4.657 22.415 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.204 2.244 21.763 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.084 3.432 20.822 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.118 3.009 22.157 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.245 1.855 23.145 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.639 1.536 21.390 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.221 0.243 20.261 1.00 0.00 H new ATOM 1021 N LEU A 65 9.110 2.963 24.924 1.00 0.00 N ATOM 1022 CA LEU A 65 8.799 2.326 26.199 1.00 0.00 C ATOM 1023 C LEU A 65 7.723 3.105 26.949 1.00 0.00 C ATOM 1024 O LEU A 65 6.912 2.525 27.671 1.00 0.00 O ATOM 1025 CB LEU A 65 10.060 2.218 27.059 1.00 0.00 C ATOM 1026 CG LEU A 65 11.256 1.519 26.412 1.00 0.00 C ATOM 1027 CD1 LEU A 65 12.556 1.993 27.042 1.00 0.00 C ATOM 1028 CD2 LEU A 65 11.121 0.008 26.535 1.00 0.00 C ATOM 0 H LEU A 65 10.106 3.018 24.712 1.00 0.00 H new ATOM 0 HA LEU A 65 8.420 1.325 25.994 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.365 3.224 27.348 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.806 1.686 27.976 1.00 0.00 H new ATOM 0 HG LEU A 65 11.274 1.777 25.353 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.396 1.485 26.569 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.657 3.069 26.902 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.548 1.765 28.108 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.981 -0.473 26.069 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.077 -0.269 27.588 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.208 -0.318 26.036 1.00 0.00 H new ATOM 1040 N LEU A 66 7.721 4.422 26.771 1.00 0.00 N ATOM 1041 CA LEU A 66 6.743 5.281 27.429 1.00 0.00 C ATOM 1042 C LEU A 66 5.363 4.632 27.432 1.00 0.00 C ATOM 1043 O LEU A 66 4.656 4.648 26.424 1.00 0.00 O ATOM 1044 CB LEU A 66 6.679 6.641 26.731 1.00 0.00 C ATOM 1045 CG LEU A 66 7.650 7.705 27.243 1.00 0.00 C ATOM 1046 CD1 LEU A 66 9.005 7.561 26.567 1.00 0.00 C ATOM 1047 CD2 LEU A 66 7.084 9.099 27.014 1.00 0.00 C ATOM 0 H LEU A 66 8.386 4.918 26.177 1.00 0.00 H new ATOM 0 HA LEU A 66 7.058 5.424 28.462 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.865 6.490 25.668 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.664 7.028 26.826 1.00 0.00 H new ATOM 0 HG LEU A 66 7.784 7.561 28.315 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.683 8.327 26.944 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.416 6.575 26.782 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.888 7.678 25.490 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.789 9.843 27.385 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.920 9.254 25.948 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.138 9.199 27.545 1.00 0.00 H new ATOM 1059 N SER A 67 4.985 4.064 28.573 1.00 0.00 N ATOM 1060 CA SER A 67 3.689 3.408 28.707 1.00 0.00 C ATOM 1061 C SER A 67 3.090 3.667 30.086 1.00 0.00 C ATOM 1062 O SER A 67 3.781 3.587 31.102 1.00 0.00 O ATOM 1063 CB SER A 67 3.829 1.903 28.473 1.00 0.00 C ATOM 1064 OG SER A 67 4.039 1.617 27.102 1.00 0.00 O ATOM 0 H SER A 67 5.557 4.045 29.417 1.00 0.00 H new ATOM 0 HA SER A 67 3.019 3.824 27.955 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.662 1.517 29.060 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.931 1.393 28.821 1.00 0.00 H new ATOM 0 HG SER A 67 4.971 1.809 26.867 1.00 0.00 H new ATOM 1070 N LYS A 68 1.798 3.979 30.114 1.00 0.00 N ATOM 1071 CA LYS A 68 1.103 4.248 31.366 1.00 0.00 C ATOM 1072 C LYS A 68 -0.330 3.728 31.316 1.00 0.00 C ATOM 1073 O LYS A 68 -0.776 3.212 30.292 1.00 0.00 O ATOM 1074 CB LYS A 68 1.101 5.751 31.659 1.00 0.00 C ATOM 1075 CG LYS A 68 2.430 6.271 32.178 1.00 0.00 C ATOM 1076 CD LYS A 68 2.506 6.192 33.693 1.00 0.00 C ATOM 1077 CE LYS A 68 1.661 7.273 34.351 1.00 0.00 C ATOM 1078 NZ LYS A 68 2.203 8.635 34.091 1.00 0.00 N ATOM 0 H LYS A 68 1.212 4.052 29.283 1.00 0.00 H new ATOM 0 HA LYS A 68 1.632 3.728 32.165 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.840 6.290 30.748 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.324 5.969 32.392 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.244 5.692 31.741 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.567 7.304 31.859 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.166 5.211 34.025 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.543 6.295 34.012 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.638 7.212 33.978 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.620 7.098 35.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.818 9.301 34.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.240 8.616 34.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.930 8.941 33.135 1.00 0.00 H new ATOM 1092 N GLN A 69 -1.045 3.868 32.428 1.00 0.00 N ATOM 1093 CA GLN A 69 -2.428 3.412 32.508 1.00 0.00 C ATOM 1094 C GLN A 69 -3.173 4.128 33.630 1.00 0.00 C ATOM 1095 O GLN A 69 -2.573 4.543 34.622 1.00 0.00 O ATOM 1096 CB GLN A 69 -2.476 1.899 32.733 1.00 0.00 C ATOM 1097 CG GLN A 69 -2.083 1.480 34.141 1.00 0.00 C ATOM 1098 CD GLN A 69 -1.469 0.095 34.187 1.00 0.00 C ATOM 1099 OE1 GLN A 69 -0.802 -0.333 33.245 1.00 0.00 O ATOM 1100 NE2 GLN A 69 -1.691 -0.614 35.288 1.00 0.00 N ATOM 0 H GLN A 69 -0.690 4.293 33.285 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.917 3.648 31.563 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.484 1.541 32.524 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.811 1.413 32.019 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.374 2.202 34.546 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.964 1.504 34.783 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.250 -0.220 36.045 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.302 -1.553 35.377 1.00 0.00 H new ATOM 1109 N LYS A 70 -4.484 4.271 33.466 1.00 0.00 N ATOM 1110 CA LYS A 70 -5.312 4.936 34.464 1.00 0.00 C ATOM 1111 C LYS A 70 -6.731 4.376 34.455 1.00 0.00 C ATOM 1112 O LYS A 70 -7.200 3.864 33.438 1.00 0.00 O ATOM 1113 CB LYS A 70 -5.346 6.444 34.206 1.00 0.00 C ATOM 1114 CG LYS A 70 -5.933 7.245 35.355 1.00 0.00 C ATOM 1115 CD LYS A 70 -4.897 7.514 36.434 1.00 0.00 C ATOM 1116 CE LYS A 70 -4.151 8.815 36.180 1.00 0.00 C ATOM 1117 NZ LYS A 70 -4.882 9.990 36.730 1.00 0.00 N ATOM 0 H LYS A 70 -4.996 3.935 32.650 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.874 4.751 35.445 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.332 6.794 34.011 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.928 6.637 33.305 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.322 8.191 34.979 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.775 6.703 35.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.387 7.558 37.407 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.187 6.688 36.472 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.160 8.760 36.631 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.006 8.947 35.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.341 10.857 36.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.818 10.058 36.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.998 9.877 37.757 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.410 4.478 35.592 1.00 0.00 N ATOM 1132 CA TYR A 71 -8.775 3.981 35.714 1.00 0.00 C ATOM 1133 C TYR A 71 -9.606 4.887 36.618 1.00 0.00 C ATOM 1134 O TYR A 71 -9.086 5.824 37.224 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.773 2.555 36.266 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.497 2.481 37.751 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -7.342 3.033 38.291 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.391 1.858 38.614 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -7.085 2.967 39.647 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -9.143 1.789 39.971 1.00 0.00 C ATOM 1141 CZ TYR A 71 -7.989 2.345 40.483 1.00 0.00 C ATOM 1142 OH TYR A 71 -7.738 2.277 41.834 1.00 0.00 O ATOM 0 H TYR A 71 -7.037 4.900 36.442 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.224 3.979 34.721 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.739 2.094 36.061 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.022 1.970 35.736 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.633 3.522 37.640 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.295 1.420 38.217 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.181 3.400 40.050 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.849 1.302 40.628 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.474 1.808 42.280 1.00 0.00 H new ATOM 1152 N ALA A 72 -10.901 4.601 36.702 1.00 0.00 N ATOM 1153 CA ALA A 72 -11.805 5.387 37.533 1.00 0.00 C ATOM 1154 C ALA A 72 -13.009 4.559 37.970 1.00 0.00 C ATOM 1155 O ALA A 72 -13.470 3.683 37.238 1.00 0.00 O ATOM 1156 CB ALA A 72 -12.260 6.632 36.785 1.00 0.00 C ATOM 0 H ALA A 72 -11.348 3.831 36.205 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.264 5.692 38.429 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.935 7.210 37.417 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.392 7.240 36.529 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.779 6.339 35.873 1.00 0.00 H new ATOM 1162 N ASP A 73 -13.512 4.842 39.166 1.00 0.00 N ATOM 1163 CA ASP A 73 -14.664 4.124 39.700 1.00 0.00 C ATOM 1164 C ASP A 73 -15.303 4.899 40.848 1.00 0.00 C ATOM 1165 O ASP A 73 -14.696 5.810 41.409 1.00 0.00 O ATOM 1166 CB ASP A 73 -14.246 2.732 40.177 1.00 0.00 C ATOM 1167 CG ASP A 73 -13.808 1.836 39.036 1.00 0.00 C ATOM 1168 OD1 ASP A 73 -12.606 1.852 38.698 1.00 0.00 O ATOM 1169 OD2 ASP A 73 -14.667 1.119 38.480 1.00 0.00 O ATOM 0 H ASP A 73 -13.141 5.563 39.784 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.400 4.021 38.902 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.431 2.827 40.894 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.080 2.266 40.702 1.00 0.00 H new ATOM 1174 N GLY A 74 -16.533 4.530 41.191 1.00 0.00 N ATOM 1175 CA GLY A 74 -17.235 5.201 42.270 1.00 0.00 C ATOM 1176 C GLY A 74 -18.711 5.385 41.976 1.00 0.00 C ATOM 1177 O GLY A 74 -19.224 4.857 40.990 1.00 0.00 O ATOM 0 H GLY A 74 -17.056 3.779 40.741 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.120 4.625 43.188 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.779 6.175 42.446 1.00 0.00 H new ATOM 1181 N ALA A 75 -19.394 6.135 42.833 1.00 0.00 N ATOM 1182 CA ALA A 75 -20.820 6.388 42.660 1.00 0.00 C ATOM 1183 C ALA A 75 -21.131 7.877 42.768 1.00 0.00 C ATOM 1184 O ALA A 75 -20.323 8.654 43.276 1.00 0.00 O ATOM 1185 CB ALA A 75 -21.623 5.603 43.686 1.00 0.00 C ATOM 0 H ALA A 75 -18.984 6.579 43.655 1.00 0.00 H new ATOM 0 HA ALA A 75 -21.104 6.056 41.661 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -22.686 5.801 43.545 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -21.433 4.537 43.559 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -21.327 5.907 44.690 1.00 0.00 H new ATOM 1191 N PHE A 76 -22.306 8.267 42.287 1.00 0.00 N ATOM 1192 CA PHE A 76 -22.723 9.664 42.328 1.00 0.00 C ATOM 1193 C PHE A 76 -23.461 9.973 43.627 1.00 0.00 C ATOM 1194 O PHE A 76 -23.846 9.067 44.366 1.00 0.00 O ATOM 1195 CB PHE A 76 -23.619 9.986 41.130 1.00 0.00 C ATOM 1196 CG PHE A 76 -24.027 11.430 41.058 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -23.073 12.435 41.059 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -25.365 11.783 40.991 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -23.445 13.764 40.993 1.00 0.00 C ATOM 1200 CE2 PHE A 76 -25.744 13.110 40.924 1.00 0.00 C ATOM 1201 CZ PHE A 76 -24.782 14.102 40.926 1.00 0.00 C ATOM 0 H PHE A 76 -22.987 7.636 41.864 1.00 0.00 H new ATOM 0 HA PHE A 76 -21.829 10.286 42.282 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -23.095 9.718 40.212 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -24.514 9.366 41.179 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -22.026 12.176 41.112 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -26.121 11.012 40.991 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -22.691 14.537 40.994 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -26.790 13.372 40.870 1.00 0.00 H new ATOM 0 HZ PHE A 76 -25.076 15.140 40.875 1.00 0.00 H new ATOM 1211 N ALA A 77 -23.655 11.259 43.899 1.00 0.00 N ATOM 1212 CA ALA A 77 -24.347 11.689 45.108 1.00 0.00 C ATOM 1213 C ALA A 77 -25.725 12.253 44.779 1.00 0.00 C ATOM 1214 O ALA A 77 -25.877 13.046 43.850 1.00 0.00 O ATOM 1215 CB ALA A 77 -23.516 12.722 45.854 1.00 0.00 C ATOM 0 H ALA A 77 -23.343 12.022 43.298 1.00 0.00 H new ATOM 0 HA ALA A 77 -24.482 10.818 45.749 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -24.046 13.034 46.754 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -22.556 12.286 46.130 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -23.350 13.588 45.213 1.00 0.00 H new ATOM 1221 N ASP A 78 -26.727 11.839 45.547 1.00 0.00 N ATOM 1222 CA ASP A 78 -28.094 12.303 45.337 1.00 0.00 C ATOM 1223 C ASP A 78 -28.635 12.983 46.592 1.00 0.00 C ATOM 1224 O ASP A 78 -29.488 13.867 46.512 1.00 0.00 O ATOM 1225 CB ASP A 78 -28.998 11.134 44.945 1.00 0.00 C ATOM 1226 CG ASP A 78 -30.301 11.594 44.320 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -30.274 12.574 43.547 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -31.347 10.974 44.605 1.00 0.00 O ATOM 0 H ASP A 78 -26.619 11.183 46.321 1.00 0.00 H new ATOM 0 HA ASP A 78 -28.084 13.031 44.526 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -28.469 10.489 44.243 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -29.214 10.534 45.829 1.00 0.00 H new ATOM 1233 N PHE A 79 -28.134 12.563 47.749 1.00 0.00 N ATOM 1234 CA PHE A 79 -28.569 13.129 49.020 1.00 0.00 C ATOM 1235 C PHE A 79 -27.932 14.495 49.253 1.00 0.00 C ATOM 1236 O PHE A 79 -26.800 14.593 49.727 1.00 0.00 O ATOM 1237 CB PHE A 79 -28.214 12.185 50.171 1.00 0.00 C ATOM 1238 CG PHE A 79 -28.544 10.747 49.890 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -29.793 10.235 50.203 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -27.605 9.906 49.314 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -30.099 8.912 49.946 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -27.905 8.582 49.054 1.00 0.00 C ATOM 1243 CZ PHE A 79 -29.154 8.085 49.370 1.00 0.00 C ATOM 0 H PHE A 79 -27.427 11.833 47.832 1.00 0.00 H new ATOM 0 HA PHE A 79 -29.651 13.254 48.982 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -27.149 12.270 50.385 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -28.745 12.503 51.068 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -30.536 10.877 50.653 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -26.627 10.290 49.065 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -31.076 8.525 50.195 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -27.164 7.937 48.605 1.00 0.00 H new ATOM 0 HZ PHE A 79 -29.392 7.051 49.167 1.00 0.00 H new ATOM 1253 N LYS A 80 -28.667 15.549 48.917 1.00 0.00 N ATOM 1254 CA LYS A 80 -28.177 16.912 49.089 1.00 0.00 C ATOM 1255 C LYS A 80 -28.562 17.460 50.459 1.00 0.00 C ATOM 1256 O LYS A 80 -29.530 17.005 51.069 1.00 0.00 O ATOM 1257 CB LYS A 80 -28.734 17.819 47.989 1.00 0.00 C ATOM 1258 CG LYS A 80 -28.236 19.252 48.073 1.00 0.00 C ATOM 1259 CD LYS A 80 -28.974 20.156 47.101 1.00 0.00 C ATOM 1260 CE LYS A 80 -28.906 21.613 47.533 1.00 0.00 C ATOM 1261 NZ LYS A 80 -27.670 22.281 47.041 1.00 0.00 N ATOM 0 H LYS A 80 -29.606 15.486 48.523 1.00 0.00 H new ATOM 0 HA LYS A 80 -27.089 16.892 49.018 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -28.464 17.406 47.017 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -29.823 17.817 48.045 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -28.367 19.625 49.089 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -27.168 19.280 47.858 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -28.543 20.050 46.105 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -30.016 19.844 47.032 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -29.780 22.144 47.157 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -28.942 21.671 48.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -27.662 23.272 47.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -26.835 21.790 47.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -27.648 22.249 46.002 1.00 0.00 H new ATOM 1275 N GLN A 81 -27.800 18.439 50.935 1.00 0.00 N ATOM 1276 CA GLN A 81 -28.064 19.049 52.233 1.00 0.00 C ATOM 1277 C GLN A 81 -29.013 20.235 52.095 1.00 0.00 C ATOM 1278 O GLN A 81 -28.577 21.379 51.969 1.00 0.00 O ATOM 1279 CB GLN A 81 -26.756 19.501 52.884 1.00 0.00 C ATOM 1280 CG GLN A 81 -26.056 18.403 53.669 1.00 0.00 C ATOM 1281 CD GLN A 81 -24.964 18.939 54.574 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -24.074 19.665 54.130 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -25.026 18.582 55.851 1.00 0.00 N ATOM 0 H GLN A 81 -26.996 18.827 50.442 1.00 0.00 H new ATOM 0 HA GLN A 81 -28.538 18.300 52.868 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -26.083 19.869 52.110 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -26.962 20.338 53.551 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -26.790 17.867 54.270 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -25.625 17.682 52.974 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -25.782 17.979 56.176 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.318 18.911 56.508 1.00 0.00 H new ATOM 1292 N GLU A 82 -30.312 19.953 52.118 1.00 0.00 N ATOM 1293 CA GLU A 82 -31.322 20.998 51.994 1.00 0.00 C ATOM 1294 C GLU A 82 -31.568 21.679 53.337 1.00 0.00 C ATOM 1295 O GLU A 82 -31.035 21.260 54.365 1.00 0.00 O ATOM 1296 CB GLU A 82 -32.631 20.412 51.460 1.00 0.00 C ATOM 1297 CG GLU A 82 -33.220 19.329 52.348 1.00 0.00 C ATOM 1298 CD GLU A 82 -34.428 18.657 51.725 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -35.548 19.188 51.879 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -34.253 17.600 51.082 1.00 0.00 O ATOM 0 H GLU A 82 -30.689 19.011 52.221 1.00 0.00 H new ATOM 0 HA GLU A 82 -30.952 21.744 51.290 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -33.360 21.215 51.348 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -32.456 20.000 50.466 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -32.457 18.578 52.554 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -33.505 19.765 53.306 1.00 0.00 H new ATOM 1307 N SER A 83 -32.378 22.733 53.320 1.00 0.00 N ATOM 1308 CA SER A 83 -32.692 23.476 54.535 1.00 0.00 C ATOM 1309 C SER A 83 -34.006 22.994 55.142 1.00 0.00 C ATOM 1310 O SER A 83 -34.894 22.521 54.434 1.00 0.00 O ATOM 1311 CB SER A 83 -32.775 24.974 54.234 1.00 0.00 C ATOM 1312 OG SER A 83 -31.493 25.511 53.958 1.00 0.00 O ATOM 0 H SER A 83 -32.829 23.092 52.478 1.00 0.00 H new ATOM 0 HA SER A 83 -31.893 23.301 55.256 1.00 0.00 H new ATOM 0 HB2 SER A 83 -33.434 25.141 53.382 1.00 0.00 H new ATOM 0 HB3 SER A 83 -33.216 25.495 55.084 1.00 0.00 H new ATOM 0 HG SER A 83 -31.313 26.257 54.567 1.00 0.00 H new ATOM 1318 N GLY A 84 -34.121 23.117 56.461 1.00 0.00 N ATOM 1319 CA GLY A 84 -35.328 22.690 57.144 1.00 0.00 C ATOM 1320 C GLY A 84 -36.479 23.658 56.947 1.00 0.00 C ATOM 1321 O GLY A 84 -37.404 23.406 56.174 1.00 0.00 O ATOM 0 H GLY A 84 -33.399 23.505 57.069 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -35.619 21.705 56.779 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -35.122 22.587 58.209 1.00 0.00 H new ATOM 1325 N PRO A 85 -36.431 24.793 57.659 1.00 0.00 N ATOM 1326 CA PRO A 85 -37.470 25.824 57.577 1.00 0.00 C ATOM 1327 C PRO A 85 -37.462 26.549 56.236 1.00 0.00 C ATOM 1328 O PRO A 85 -36.562 26.354 55.419 1.00 0.00 O ATOM 1329 CB PRO A 85 -37.105 26.787 58.709 1.00 0.00 C ATOM 1330 CG PRO A 85 -35.639 26.604 58.904 1.00 0.00 C ATOM 1331 CD PRO A 85 -35.358 25.158 58.600 1.00 0.00 C ATOM 0 HA PRO A 85 -38.471 25.402 57.665 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -37.344 27.817 58.445 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -37.658 26.555 59.620 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -35.073 27.259 58.242 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -35.347 26.852 59.924 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -34.371 25.025 58.156 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -35.387 24.545 59.501 1.00 0.00 H new ATOM 1339 N SER A 86 -38.469 27.388 56.016 1.00 0.00 N ATOM 1340 CA SER A 86 -38.579 28.141 54.772 1.00 0.00 C ATOM 1341 C SER A 86 -37.288 28.902 54.481 1.00 0.00 C ATOM 1342 O SER A 86 -36.688 28.744 53.418 1.00 0.00 O ATOM 1343 CB SER A 86 -39.754 29.118 54.844 1.00 0.00 C ATOM 1344 OG SER A 86 -40.990 28.426 54.893 1.00 0.00 O ATOM 0 H SER A 86 -39.220 27.564 56.683 1.00 0.00 H new ATOM 0 HA SER A 86 -38.754 27.433 53.962 1.00 0.00 H new ATOM 0 HB2 SER A 86 -39.652 29.750 55.726 1.00 0.00 H new ATOM 0 HB3 SER A 86 -39.737 29.777 53.976 1.00 0.00 H new ATOM 0 HG SER A 86 -41.725 29.072 54.940 1.00 0.00 H new ATOM 1350 N SER A 87 -36.868 29.727 55.434 1.00 0.00 N ATOM 1351 CA SER A 87 -35.651 30.515 55.280 1.00 0.00 C ATOM 1352 C SER A 87 -34.415 29.621 55.317 1.00 0.00 C ATOM 1353 O SER A 87 -34.135 28.972 56.323 1.00 0.00 O ATOM 1354 CB SER A 87 -35.561 31.573 56.382 1.00 0.00 C ATOM 1355 OG SER A 87 -35.692 30.987 57.665 1.00 0.00 O ATOM 0 H SER A 87 -37.352 29.867 56.321 1.00 0.00 H new ATOM 0 HA SER A 87 -35.690 31.011 54.310 1.00 0.00 H new ATOM 0 HB2 SER A 87 -34.606 32.094 56.313 1.00 0.00 H new ATOM 0 HB3 SER A 87 -36.342 32.319 56.238 1.00 0.00 H new ATOM 0 HG SER A 87 -35.204 30.137 57.688 1.00 0.00 H new ATOM 1361 N GLY A 88 -33.680 29.592 54.209 1.00 0.00 N ATOM 1362 CA GLY A 88 -32.484 28.774 54.134 1.00 0.00 C ATOM 1363 C GLY A 88 -32.412 27.968 52.852 1.00 0.00 C ATOM 1364 O GLY A 88 -31.478 28.161 52.075 1.00 0.00 O ATOM 0 H GLY A 88 -33.892 30.120 53.363 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -31.605 29.414 54.207 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -32.457 28.097 54.987 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.786 -5.213 4.070 1.00 0.00 ZN