USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 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 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HD1 : A 69 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 34 ASN :FLIP amide:sc= -2.64! C(o=-5.7!,f=-1.4!) USER MOD Set 1.2: A 59 SER OG : rot -127:sc= 1.26 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.292 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 0.0255 (180deg=0.0123) USER MOD Single : A 11 GLN : amide:sc= -0.275 X(o=-0.28,f=-0.093) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 22 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.0058) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -51:sc= 0.193 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.8!) USER MOD Single : A 50 ASN : amide:sc= 0.0297 X(o=0.03,f=-0.061) USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= -0.0142 (180deg=-0.877) USER MOD Single : A 53 SER OG : rot 5:sc= 0.186 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.29) USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.89) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 75 LYS NZ :NH3+ 131:sc= -0.135 (180deg=-0.622) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 0.14 (180deg=-0.0776) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0859 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.700 0.648 7.611 1.00 0.00 N ATOM 2 CA GLY A 1 -25.496 -0.697 8.117 1.00 0.00 C ATOM 3 C GLY A 1 -26.610 -1.643 7.715 1.00 0.00 C ATOM 4 O GLY A 1 -27.220 -2.292 8.565 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.912 1.256 7.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.742 0.625 6.572 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.593 1.028 7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.546 -1.081 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.425 -0.666 9.204 1.00 0.00 H new ATOM 8 N SER A 2 -26.878 -1.721 6.415 1.00 0.00 N ATOM 9 CA SER A 2 -27.931 -2.591 5.903 1.00 0.00 C ATOM 10 C SER A 2 -27.522 -3.212 4.571 1.00 0.00 C ATOM 11 O SER A 2 -26.510 -2.833 3.981 1.00 0.00 O ATOM 12 CB SER A 2 -29.233 -1.806 5.734 1.00 0.00 C ATOM 13 OG SER A 2 -29.713 -1.339 6.983 1.00 0.00 O ATOM 0 H SER A 2 -26.381 -1.193 5.698 1.00 0.00 H new ATOM 0 HA SER A 2 -28.089 -3.392 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.068 -0.961 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.986 -2.440 5.266 1.00 0.00 H new ATOM 0 HG SER A 2 -30.545 -0.839 6.848 1.00 0.00 H new ATOM 19 N SER A 3 -28.316 -4.169 4.103 1.00 0.00 N ATOM 20 CA SER A 3 -28.036 -4.847 2.842 1.00 0.00 C ATOM 21 C SER A 3 -28.768 -4.171 1.687 1.00 0.00 C ATOM 22 O SER A 3 -29.826 -3.571 1.875 1.00 0.00 O ATOM 23 CB SER A 3 -28.444 -6.319 2.928 1.00 0.00 C ATOM 24 OG SER A 3 -27.544 -7.051 3.742 1.00 0.00 O ATOM 0 H SER A 3 -29.159 -4.493 4.578 1.00 0.00 H new ATOM 0 HA SER A 3 -26.964 -4.785 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.452 -6.397 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.469 -6.752 1.928 1.00 0.00 H new ATOM 0 HG SER A 3 -27.828 -7.988 3.782 1.00 0.00 H new ATOM 30 N GLY A 4 -28.197 -4.273 0.491 1.00 0.00 N ATOM 31 CA GLY A 4 -28.808 -3.667 -0.677 1.00 0.00 C ATOM 32 C GLY A 4 -29.116 -4.680 -1.762 1.00 0.00 C ATOM 33 O GLY A 4 -28.300 -5.554 -2.055 1.00 0.00 O ATOM 0 H GLY A 4 -27.322 -4.765 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.729 -3.164 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.141 -2.903 -1.077 1.00 0.00 H new ATOM 37 N SER A 5 -30.298 -4.566 -2.358 1.00 0.00 N ATOM 38 CA SER A 5 -30.715 -5.483 -3.413 1.00 0.00 C ATOM 39 C SER A 5 -30.831 -4.756 -4.750 1.00 0.00 C ATOM 40 O SER A 5 -31.761 -4.996 -5.520 1.00 0.00 O ATOM 41 CB SER A 5 -32.052 -6.132 -3.054 1.00 0.00 C ATOM 42 OG SER A 5 -32.007 -6.714 -1.763 1.00 0.00 O ATOM 0 H SER A 5 -30.985 -3.847 -2.129 1.00 0.00 H new ATOM 0 HA SER A 5 -29.956 -6.260 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.844 -5.384 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.299 -6.895 -3.792 1.00 0.00 H new ATOM 0 HG SER A 5 -32.875 -7.121 -1.557 1.00 0.00 H new ATOM 48 N SER A 6 -29.880 -3.867 -5.018 1.00 0.00 N ATOM 49 CA SER A 6 -29.878 -3.102 -6.259 1.00 0.00 C ATOM 50 C SER A 6 -28.455 -2.721 -6.659 1.00 0.00 C ATOM 51 O SER A 6 -27.693 -2.190 -5.852 1.00 0.00 O ATOM 52 CB SER A 6 -30.732 -1.842 -6.108 1.00 0.00 C ATOM 53 OG SER A 6 -32.100 -2.122 -6.347 1.00 0.00 O ATOM 0 H SER A 6 -29.101 -3.659 -4.393 1.00 0.00 H new ATOM 0 HA SER A 6 -30.303 -3.728 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.611 -1.435 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.386 -1.079 -6.805 1.00 0.00 H new ATOM 0 HG SER A 6 -32.268 -3.077 -6.206 1.00 0.00 H new ATOM 59 N GLY A 7 -28.105 -2.997 -7.912 1.00 0.00 N ATOM 60 CA GLY A 7 -26.776 -2.677 -8.398 1.00 0.00 C ATOM 61 C GLY A 7 -26.786 -2.180 -9.830 1.00 0.00 C ATOM 62 O GLY A 7 -27.324 -2.840 -10.719 1.00 0.00 O ATOM 0 H GLY A 7 -28.718 -3.436 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.331 -1.917 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.144 -3.562 -8.328 1.00 0.00 H new ATOM 66 N MET A 8 -26.192 -1.013 -10.054 1.00 0.00 N ATOM 67 CA MET A 8 -26.135 -0.428 -11.389 1.00 0.00 C ATOM 68 C MET A 8 -25.523 -1.407 -12.386 1.00 0.00 C ATOM 69 O MET A 8 -24.338 -1.730 -12.307 1.00 0.00 O ATOM 70 CB MET A 8 -25.325 0.869 -11.367 1.00 0.00 C ATOM 71 CG MET A 8 -25.995 1.991 -10.591 1.00 0.00 C ATOM 72 SD MET A 8 -27.422 2.676 -11.455 1.00 0.00 S ATOM 73 CE MET A 8 -27.793 4.094 -10.425 1.00 0.00 C ATOM 0 H MET A 8 -25.743 -0.453 -9.329 1.00 0.00 H new ATOM 0 HA MET A 8 -27.154 -0.205 -11.705 1.00 0.00 H new ATOM 0 HB2 MET A 8 -24.347 0.669 -10.929 1.00 0.00 H new ATOM 0 HB3 MET A 8 -25.154 1.199 -12.392 1.00 0.00 H new ATOM 0 HG2 MET A 8 -26.310 1.616 -9.617 1.00 0.00 H new ATOM 0 HG3 MET A 8 -25.270 2.784 -10.408 1.00 0.00 H new ATOM 0 HE1 MET A 8 -28.655 4.623 -10.831 1.00 0.00 H new ATOM 0 HE2 MET A 8 -28.016 3.759 -9.412 1.00 0.00 H new ATOM 0 HE3 MET A 8 -26.933 4.764 -10.405 1.00 0.00 H new ATOM 83 N LYS A 9 -26.339 -1.877 -13.323 1.00 0.00 N ATOM 84 CA LYS A 9 -25.878 -2.819 -14.337 1.00 0.00 C ATOM 85 C LYS A 9 -25.137 -2.094 -15.456 1.00 0.00 C ATOM 86 O LYS A 9 -25.686 -1.200 -16.100 1.00 0.00 O ATOM 87 CB LYS A 9 -27.063 -3.597 -14.916 1.00 0.00 C ATOM 88 CG LYS A 9 -27.472 -4.795 -14.077 1.00 0.00 C ATOM 89 CD LYS A 9 -26.775 -6.063 -14.540 1.00 0.00 C ATOM 90 CE LYS A 9 -25.532 -6.350 -13.712 1.00 0.00 C ATOM 91 NZ LYS A 9 -24.482 -7.043 -14.509 1.00 0.00 N ATOM 0 H LYS A 9 -27.323 -1.621 -13.402 1.00 0.00 H new ATOM 0 HA LYS A 9 -25.189 -3.518 -13.862 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -27.915 -2.925 -15.014 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -26.808 -3.937 -15.920 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -27.231 -4.607 -13.031 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -28.552 -4.930 -14.136 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -27.464 -6.905 -14.468 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -26.499 -5.965 -15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -25.132 -5.414 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -25.802 -6.965 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -23.742 -7.401 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -24.907 -7.838 -15.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.062 -6.374 -15.186 1.00 0.00 H new ATOM 105 N PHE A 10 -23.887 -2.487 -15.682 1.00 0.00 N ATOM 106 CA PHE A 10 -23.071 -1.874 -16.724 1.00 0.00 C ATOM 107 C PHE A 10 -22.397 -2.940 -17.583 1.00 0.00 C ATOM 108 O PHE A 10 -22.595 -2.989 -18.797 1.00 0.00 O ATOM 109 CB PHE A 10 -22.013 -0.961 -16.101 1.00 0.00 C ATOM 110 CG PHE A 10 -21.425 0.023 -17.072 1.00 0.00 C ATOM 111 CD1 PHE A 10 -22.205 1.032 -17.614 1.00 0.00 C ATOM 112 CD2 PHE A 10 -20.092 -0.060 -17.441 1.00 0.00 C ATOM 113 CE1 PHE A 10 -21.666 1.938 -18.508 1.00 0.00 C ATOM 114 CE2 PHE A 10 -19.548 0.844 -18.335 1.00 0.00 C ATOM 115 CZ PHE A 10 -20.336 1.845 -18.867 1.00 0.00 C ATOM 0 H PHE A 10 -23.418 -3.226 -15.158 1.00 0.00 H new ATOM 0 HA PHE A 10 -23.725 -1.279 -17.361 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -22.459 -0.416 -15.269 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -21.212 -1.575 -15.688 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -23.245 1.111 -17.335 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -19.471 -0.840 -17.026 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -22.285 2.718 -18.926 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -18.508 0.767 -18.617 1.00 0.00 H new ATOM 0 HZ PHE A 10 -19.913 2.554 -19.563 1.00 0.00 H new ATOM 125 N GLN A 11 -21.600 -3.790 -16.944 1.00 0.00 N ATOM 126 CA GLN A 11 -20.896 -4.854 -17.649 1.00 0.00 C ATOM 127 C GLN A 11 -21.746 -6.118 -17.718 1.00 0.00 C ATOM 128 O GLN A 11 -22.336 -6.536 -16.721 1.00 0.00 O ATOM 129 CB GLN A 11 -19.564 -5.158 -16.960 1.00 0.00 C ATOM 130 CG GLN A 11 -18.483 -4.127 -17.244 1.00 0.00 C ATOM 131 CD GLN A 11 -18.153 -4.019 -18.719 1.00 0.00 C ATOM 132 OE1 GLN A 11 -17.479 -4.883 -19.281 1.00 0.00 O ATOM 133 NE2 GLN A 11 -18.627 -2.954 -19.356 1.00 0.00 N ATOM 0 H GLN A 11 -21.426 -3.762 -15.939 1.00 0.00 H new ATOM 0 HA GLN A 11 -20.702 -4.513 -18.666 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -19.726 -5.215 -15.884 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -19.213 -6.138 -17.282 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -18.809 -3.154 -16.876 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.581 -4.391 -16.692 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.181 -2.263 -18.851 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.437 -2.828 -20.350 1.00 0.00 H new ATOM 142 N ALA A 12 -21.806 -6.723 -18.900 1.00 0.00 N ATOM 143 CA ALA A 12 -22.583 -7.940 -19.097 1.00 0.00 C ATOM 144 C ALA A 12 -21.864 -9.151 -18.513 1.00 0.00 C ATOM 145 O ALA A 12 -22.339 -9.792 -17.575 1.00 0.00 O ATOM 146 CB ALA A 12 -22.862 -8.153 -20.578 1.00 0.00 C ATOM 0 H ALA A 12 -21.325 -6.390 -19.736 1.00 0.00 H new ATOM 0 HA ALA A 12 -23.531 -7.826 -18.572 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.443 -9.065 -20.711 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.424 -7.305 -20.968 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -21.919 -8.242 -21.117 1.00 0.00 H new ATOM 152 N PRO A 13 -20.692 -9.475 -19.078 1.00 0.00 N ATOM 153 CA PRO A 13 -19.883 -10.611 -18.628 1.00 0.00 C ATOM 154 C PRO A 13 -19.266 -10.376 -17.254 1.00 0.00 C ATOM 155 O PRO A 13 -19.417 -11.195 -16.347 1.00 0.00 O ATOM 156 CB PRO A 13 -18.789 -10.712 -19.695 1.00 0.00 C ATOM 157 CG PRO A 13 -18.680 -9.337 -20.257 1.00 0.00 C ATOM 158 CD PRO A 13 -20.065 -8.755 -20.200 1.00 0.00 C ATOM 0 HA PRO A 13 -20.478 -11.518 -18.520 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -17.843 -11.039 -19.263 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -19.054 -11.435 -20.466 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.979 -8.734 -19.680 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -18.309 -9.363 -21.282 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -20.042 -7.679 -20.025 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.607 -8.914 -21.132 1.00 0.00 H new ATOM 166 N ALA A 14 -18.572 -9.253 -17.106 1.00 0.00 N ATOM 167 CA ALA A 14 -17.935 -8.909 -15.841 1.00 0.00 C ATOM 168 C ALA A 14 -17.285 -7.532 -15.909 1.00 0.00 C ATOM 169 O ALA A 14 -17.196 -6.930 -16.980 1.00 0.00 O ATOM 170 CB ALA A 14 -16.904 -9.963 -15.466 1.00 0.00 C ATOM 0 H ALA A 14 -18.436 -8.565 -17.847 1.00 0.00 H new ATOM 0 HA ALA A 14 -18.706 -8.880 -15.071 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -16.436 -9.693 -14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.394 -10.932 -15.366 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -16.143 -10.020 -16.244 1.00 0.00 H new ATOM 176 N ARG A 15 -16.834 -7.038 -14.761 1.00 0.00 N ATOM 177 CA ARG A 15 -16.194 -5.729 -14.692 1.00 0.00 C ATOM 178 C ARG A 15 -14.954 -5.777 -13.803 1.00 0.00 C ATOM 179 O ARG A 15 -14.695 -6.779 -13.137 1.00 0.00 O ATOM 180 CB ARG A 15 -17.176 -4.685 -14.158 1.00 0.00 C ATOM 181 CG ARG A 15 -17.511 -4.860 -12.686 1.00 0.00 C ATOM 182 CD ARG A 15 -18.640 -3.935 -12.258 1.00 0.00 C ATOM 183 NE ARG A 15 -19.953 -4.526 -12.501 1.00 0.00 N ATOM 184 CZ ARG A 15 -21.066 -3.812 -12.636 1.00 0.00 C ATOM 185 NH1 ARG A 15 -21.024 -2.490 -12.552 1.00 0.00 N ATOM 186 NH2 ARG A 15 -22.224 -4.422 -12.855 1.00 0.00 N ATOM 0 H ARG A 15 -16.900 -7.524 -13.866 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.888 -5.448 -15.700 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.755 -3.691 -14.310 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.097 -4.734 -14.740 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.796 -5.895 -12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.625 -4.658 -12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.537 -3.704 -11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.561 -2.992 -12.799 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.020 -5.541 -12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.136 -2.018 -12.383 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.880 -1.945 -12.656 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -22.260 -5.439 -12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -23.078 -3.874 -12.958 1.00 0.00 H new ATOM 200 N GLU A 16 -14.192 -4.688 -13.800 1.00 0.00 N ATOM 201 CA GLU A 16 -12.979 -4.608 -12.995 1.00 0.00 C ATOM 202 C GLU A 16 -13.273 -3.995 -11.628 1.00 0.00 C ATOM 203 O GLU A 16 -14.374 -3.505 -11.378 1.00 0.00 O ATOM 204 CB GLU A 16 -11.914 -3.780 -13.718 1.00 0.00 C ATOM 205 CG GLU A 16 -11.385 -4.439 -14.981 1.00 0.00 C ATOM 206 CD GLU A 16 -11.206 -5.937 -14.826 1.00 0.00 C ATOM 207 OE1 GLU A 16 -12.214 -6.668 -14.929 1.00 0.00 O ATOM 208 OE2 GLU A 16 -10.060 -6.379 -14.602 1.00 0.00 O ATOM 0 H GLU A 16 -14.393 -3.850 -14.345 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.604 -5.621 -12.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.334 -2.807 -13.974 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.082 -3.599 -13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.072 -4.242 -15.804 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.429 -3.988 -15.249 1.00 0.00 H new ATOM 215 N THR A 17 -12.279 -4.029 -10.745 1.00 0.00 N ATOM 216 CA THR A 17 -12.430 -3.480 -9.404 1.00 0.00 C ATOM 217 C THR A 17 -11.082 -3.071 -8.822 1.00 0.00 C ATOM 218 O THR A 17 -10.064 -3.716 -9.074 1.00 0.00 O ATOM 219 CB THR A 17 -13.100 -4.491 -8.455 1.00 0.00 C ATOM 220 OG1 THR A 17 -13.972 -5.354 -9.195 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.889 -3.775 -7.369 1.00 0.00 C ATOM 0 H THR A 17 -11.361 -4.431 -10.935 1.00 0.00 H new ATOM 0 HA THR A 17 -13.066 -2.600 -9.493 1.00 0.00 H new ATOM 0 HB THR A 17 -12.318 -5.084 -7.982 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.393 -5.995 -8.585 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.353 -4.510 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.218 -3.142 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.663 -3.159 -7.827 1.00 0.00 H new ATOM 229 N CYS A 18 -11.081 -1.995 -8.042 1.00 0.00 N ATOM 230 CA CYS A 18 -9.858 -1.499 -7.424 1.00 0.00 C ATOM 231 C CYS A 18 -9.308 -2.508 -6.420 1.00 0.00 C ATOM 232 O CYS A 18 -10.046 -3.039 -5.590 1.00 0.00 O ATOM 233 CB CYS A 18 -10.119 -0.161 -6.728 1.00 0.00 C ATOM 234 SG CYS A 18 -8.620 0.641 -6.073 1.00 0.00 S ATOM 0 H CYS A 18 -11.915 -1.450 -7.823 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.117 -1.354 -8.210 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.601 0.515 -7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.820 -0.320 -5.909 1.00 0.00 H new ATOM 239 N VAL A 19 -8.007 -2.767 -6.501 1.00 0.00 N ATOM 240 CA VAL A 19 -7.358 -3.711 -5.600 1.00 0.00 C ATOM 241 C VAL A 19 -6.901 -3.022 -4.319 1.00 0.00 C ATOM 242 O VAL A 19 -6.092 -3.564 -3.566 1.00 0.00 O ATOM 243 CB VAL A 19 -6.144 -4.383 -6.269 1.00 0.00 C ATOM 244 CG1 VAL A 19 -6.580 -5.180 -7.489 1.00 0.00 C ATOM 245 CG2 VAL A 19 -5.101 -3.342 -6.647 1.00 0.00 C ATOM 0 H VAL A 19 -7.382 -2.336 -7.182 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.097 -4.474 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.694 -5.073 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.709 -5.647 -7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.288 -5.951 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.056 -4.513 -8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.250 -3.834 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.537 -2.626 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.767 -2.819 -5.751 1.00 0.00 H new ATOM 255 N GLU A 20 -7.425 -1.825 -4.078 1.00 0.00 N ATOM 256 CA GLU A 20 -7.070 -1.061 -2.887 1.00 0.00 C ATOM 257 C GLU A 20 -8.299 -0.803 -2.021 1.00 0.00 C ATOM 258 O GLU A 20 -8.371 -1.250 -0.876 1.00 0.00 O ATOM 259 CB GLU A 20 -6.421 0.267 -3.281 1.00 0.00 C ATOM 260 CG GLU A 20 -5.026 0.115 -3.862 1.00 0.00 C ATOM 261 CD GLU A 20 -4.141 1.314 -3.579 1.00 0.00 C ATOM 262 OE1 GLU A 20 -4.161 1.807 -2.432 1.00 0.00 O ATOM 263 OE2 GLU A 20 -3.431 1.759 -4.504 1.00 0.00 O ATOM 0 H GLU A 20 -8.097 -1.363 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.356 -1.648 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.056 0.770 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.371 0.912 -2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.561 -0.780 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.099 -0.031 -4.940 1.00 0.00 H new ATOM 270 N CYS A 21 -9.264 -0.076 -2.574 1.00 0.00 N ATOM 271 CA CYS A 21 -10.490 0.244 -1.854 1.00 0.00 C ATOM 272 C CYS A 21 -11.592 -0.759 -2.181 1.00 0.00 C ATOM 273 O CYS A 21 -12.652 -0.758 -1.556 1.00 0.00 O ATOM 274 CB CYS A 21 -10.955 1.660 -2.200 1.00 0.00 C ATOM 275 SG CYS A 21 -11.305 1.916 -3.969 1.00 0.00 S ATOM 0 H CYS A 21 -9.220 0.303 -3.520 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.279 0.189 -0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.854 1.886 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.189 2.369 -1.886 1.00 0.00 H new ATOM 280 N GLN A 22 -11.332 -1.614 -3.166 1.00 0.00 N ATOM 281 CA GLN A 22 -12.302 -2.622 -3.577 1.00 0.00 C ATOM 282 C GLN A 22 -13.580 -1.970 -4.095 1.00 0.00 C ATOM 283 O GLN A 22 -14.676 -2.258 -3.614 1.00 0.00 O ATOM 284 CB GLN A 22 -12.629 -3.553 -2.407 1.00 0.00 C ATOM 285 CG GLN A 22 -11.402 -4.025 -1.644 1.00 0.00 C ATOM 286 CD GLN A 22 -10.191 -4.202 -2.539 1.00 0.00 C ATOM 287 OE1 GLN A 22 -9.109 -3.693 -2.247 1.00 0.00 O ATOM 288 NE2 GLN A 22 -10.367 -4.927 -3.637 1.00 0.00 N ATOM 0 H GLN A 22 -10.459 -1.628 -3.693 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.861 -3.206 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.298 -3.037 -1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.168 -4.422 -2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.167 -3.305 -0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.627 -4.971 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.281 -5.331 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.588 -5.080 -4.277 1.00 0.00 H new ATOM 297 N LYS A 23 -13.431 -1.088 -5.078 1.00 0.00 N ATOM 298 CA LYS A 23 -14.572 -0.394 -5.663 1.00 0.00 C ATOM 299 C LYS A 23 -14.590 -0.559 -7.179 1.00 0.00 C ATOM 300 O LYS A 23 -13.546 -0.743 -7.807 1.00 0.00 O ATOM 301 CB LYS A 23 -14.532 1.092 -5.301 1.00 0.00 C ATOM 302 CG LYS A 23 -15.070 1.394 -3.913 1.00 0.00 C ATOM 303 CD LYS A 23 -14.794 2.833 -3.509 1.00 0.00 C ATOM 304 CE LYS A 23 -15.767 3.795 -4.174 1.00 0.00 C ATOM 305 NZ LYS A 23 -15.418 5.216 -3.897 1.00 0.00 N ATOM 0 H LYS A 23 -12.531 -0.837 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.482 -0.836 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.503 1.446 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.110 1.652 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.144 1.208 -3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.614 0.718 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.869 2.929 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.773 3.099 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.768 3.624 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.777 3.593 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.104 5.840 -4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.442 5.386 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.464 5.416 -4.259 1.00 0.00 H new ATOM 319 N THR A 24 -15.782 -0.489 -7.764 1.00 0.00 N ATOM 320 CA THR A 24 -15.935 -0.629 -9.207 1.00 0.00 C ATOM 321 C THR A 24 -15.153 0.448 -9.950 1.00 0.00 C ATOM 322 O THR A 24 -15.588 1.596 -10.037 1.00 0.00 O ATOM 323 CB THR A 24 -17.415 -0.554 -9.624 1.00 0.00 C ATOM 324 OG1 THR A 24 -18.206 -1.402 -8.784 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.589 -0.968 -11.078 1.00 0.00 C ATOM 0 H THR A 24 -16.656 -0.336 -7.260 1.00 0.00 H new ATOM 0 HA THR A 24 -15.540 -1.609 -9.474 1.00 0.00 H new ATOM 0 HB THR A 24 -17.748 0.478 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.146 -1.347 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.643 -0.907 -11.350 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.010 -0.302 -11.718 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.239 -1.992 -11.209 1.00 0.00 H new ATOM 333 N VAL A 25 -13.996 0.070 -10.485 1.00 0.00 N ATOM 334 CA VAL A 25 -13.154 1.004 -11.223 1.00 0.00 C ATOM 335 C VAL A 25 -13.736 1.297 -12.602 1.00 0.00 C ATOM 336 O VAL A 25 -13.968 0.385 -13.396 1.00 0.00 O ATOM 337 CB VAL A 25 -11.723 0.459 -11.388 1.00 0.00 C ATOM 338 CG1 VAL A 25 -10.901 1.378 -12.279 1.00 0.00 C ATOM 339 CG2 VAL A 25 -11.059 0.288 -10.029 1.00 0.00 C ATOM 0 H VAL A 25 -13.621 -0.876 -10.421 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.120 1.926 -10.643 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.778 -0.519 -11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.893 0.977 -12.384 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.369 1.446 -13.261 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.852 2.370 -11.831 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.049 -0.098 -10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.015 1.252 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.638 -0.413 -9.427 1.00 0.00 H new ATOM 349 N TYR A 26 -13.969 2.575 -12.880 1.00 0.00 N ATOM 350 CA TYR A 26 -14.526 2.989 -14.162 1.00 0.00 C ATOM 351 C TYR A 26 -13.433 3.093 -15.222 1.00 0.00 C ATOM 352 O TYR A 26 -12.242 3.163 -14.918 1.00 0.00 O ATOM 353 CB TYR A 26 -15.244 4.332 -14.020 1.00 0.00 C ATOM 354 CG TYR A 26 -16.715 4.200 -13.698 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.136 3.775 -12.444 1.00 0.00 C ATOM 356 CD2 TYR A 26 -17.684 4.500 -14.647 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.480 3.653 -12.145 1.00 0.00 C ATOM 358 CE2 TYR A 26 -19.030 4.382 -14.357 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.422 3.958 -13.104 1.00 0.00 C ATOM 360 OH TYR A 26 -20.761 3.838 -12.811 1.00 0.00 O ATOM 0 H TYR A 26 -13.781 3.342 -12.235 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.244 2.233 -14.479 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.759 4.913 -13.235 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.132 4.894 -14.947 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.401 3.536 -11.690 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.380 4.831 -15.629 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.790 3.321 -11.165 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.770 4.620 -15.106 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.291 4.092 -13.595 1.00 0.00 H new ATOM 370 N PRO A 27 -13.847 3.104 -16.498 1.00 0.00 N ATOM 371 CA PRO A 27 -12.921 3.200 -17.630 1.00 0.00 C ATOM 372 C PRO A 27 -12.267 4.574 -17.728 1.00 0.00 C ATOM 373 O PRO A 27 -11.507 4.845 -18.657 1.00 0.00 O ATOM 374 CB PRO A 27 -13.818 2.947 -18.844 1.00 0.00 C ATOM 375 CG PRO A 27 -15.181 3.350 -18.399 1.00 0.00 C ATOM 376 CD PRO A 27 -15.252 3.023 -16.933 1.00 0.00 C ATOM 0 HA PRO A 27 -12.093 2.497 -17.541 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.494 3.532 -19.705 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.793 1.899 -19.143 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.349 4.413 -18.570 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.948 2.812 -18.956 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.881 3.731 -16.393 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.669 2.031 -16.762 1.00 0.00 H new ATOM 384 N MET A 28 -12.567 5.438 -16.764 1.00 0.00 N ATOM 385 CA MET A 28 -12.006 6.784 -16.741 1.00 0.00 C ATOM 386 C MET A 28 -10.931 6.907 -15.666 1.00 0.00 C ATOM 387 O MET A 28 -10.025 7.732 -15.774 1.00 0.00 O ATOM 388 CB MET A 28 -13.109 7.815 -16.497 1.00 0.00 C ATOM 389 CG MET A 28 -13.778 7.679 -15.139 1.00 0.00 C ATOM 390 SD MET A 28 -14.673 9.168 -14.654 1.00 0.00 S ATOM 391 CE MET A 28 -13.349 10.143 -13.944 1.00 0.00 C ATOM 0 H MET A 28 -13.196 5.230 -15.988 1.00 0.00 H new ATOM 0 HA MET A 28 -11.548 6.976 -17.711 1.00 0.00 H new ATOM 0 HB2 MET A 28 -12.686 8.816 -16.586 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.865 7.718 -17.277 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.468 6.836 -15.161 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.022 7.453 -14.387 1.00 0.00 H new ATOM 0 HE1 MET A 28 -13.746 11.097 -13.597 1.00 0.00 H new ATOM 0 HE2 MET A 28 -12.911 9.605 -13.103 1.00 0.00 H new ATOM 0 HE3 MET A 28 -12.583 10.321 -14.699 1.00 0.00 H new ATOM 401 N GLU A 29 -11.039 6.081 -14.630 1.00 0.00 N ATOM 402 CA GLU A 29 -10.077 6.100 -13.535 1.00 0.00 C ATOM 403 C GLU A 29 -9.396 4.742 -13.386 1.00 0.00 C ATOM 404 O GLU A 29 -8.926 4.387 -12.304 1.00 0.00 O ATOM 405 CB GLU A 29 -10.768 6.482 -12.225 1.00 0.00 C ATOM 406 CG GLU A 29 -12.103 5.787 -12.015 1.00 0.00 C ATOM 407 CD GLU A 29 -12.924 6.421 -10.909 1.00 0.00 C ATOM 408 OE1 GLU A 29 -12.324 6.915 -9.933 1.00 0.00 O ATOM 409 OE2 GLU A 29 -14.168 6.423 -11.022 1.00 0.00 O ATOM 0 H GLU A 29 -11.783 5.391 -14.526 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.317 6.846 -13.767 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.108 6.241 -11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.923 7.561 -12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.672 5.813 -12.945 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.928 4.738 -11.777 1.00 0.00 H new ATOM 416 N ARG A 30 -9.347 3.988 -14.479 1.00 0.00 N ATOM 417 CA ARG A 30 -8.726 2.669 -14.470 1.00 0.00 C ATOM 418 C ARG A 30 -7.234 2.769 -14.776 1.00 0.00 C ATOM 419 O ARG A 30 -6.834 2.915 -15.932 1.00 0.00 O ATOM 420 CB ARG A 30 -9.406 1.755 -15.490 1.00 0.00 C ATOM 421 CG ARG A 30 -8.762 0.382 -15.603 1.00 0.00 C ATOM 422 CD ARG A 30 -9.113 -0.291 -16.920 1.00 0.00 C ATOM 423 NE ARG A 30 -8.624 -1.666 -16.979 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.382 -1.990 -17.322 1.00 0.00 C ATOM 425 NH1 ARG A 30 -6.508 -1.043 -17.634 1.00 0.00 N ATOM 426 NH2 ARG A 30 -7.012 -3.264 -17.352 1.00 0.00 N ATOM 0 H ARG A 30 -9.730 4.268 -15.382 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.848 2.244 -13.474 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.454 1.634 -15.215 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.387 2.238 -16.467 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.679 0.479 -15.520 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.091 -0.245 -14.774 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.195 -0.285 -17.053 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.687 0.281 -17.744 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.271 -2.418 -16.744 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.788 -0.063 -17.611 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.555 -1.295 -17.897 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.681 -3.995 -17.112 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.058 -3.512 -17.615 1.00 0.00 H new ATOM 440 N LEU A 31 -6.415 2.689 -13.732 1.00 0.00 N ATOM 441 CA LEU A 31 -4.967 2.771 -13.889 1.00 0.00 C ATOM 442 C LEU A 31 -4.320 1.404 -13.690 1.00 0.00 C ATOM 443 O LEU A 31 -4.311 0.864 -12.582 1.00 0.00 O ATOM 444 CB LEU A 31 -4.383 3.774 -12.893 1.00 0.00 C ATOM 445 CG LEU A 31 -2.857 3.876 -12.859 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.424 5.295 -12.526 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.279 2.890 -11.854 1.00 0.00 C ATOM 0 H LEU A 31 -6.729 2.568 -12.769 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.754 3.109 -14.903 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.788 4.760 -13.121 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.732 3.509 -11.895 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.473 3.624 -13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.335 5.348 -12.506 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.807 5.979 -13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.819 5.576 -11.550 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.192 2.976 -11.843 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.671 3.111 -10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.559 1.875 -12.137 1.00 0.00 H new ATOM 459 N LEU A 32 -3.777 0.850 -14.768 1.00 0.00 N ATOM 460 CA LEU A 32 -3.125 -0.454 -14.712 1.00 0.00 C ATOM 461 C LEU A 32 -1.806 -0.371 -13.950 1.00 0.00 C ATOM 462 O LEU A 32 -0.962 0.476 -14.240 1.00 0.00 O ATOM 463 CB LEU A 32 -2.877 -0.983 -16.126 1.00 0.00 C ATOM 464 CG LEU A 32 -2.898 -2.504 -16.286 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.862 -3.150 -15.380 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.286 -3.052 -15.989 1.00 0.00 C ATOM 0 H LEU A 32 -3.775 1.283 -15.691 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.786 -1.141 -14.184 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.630 -0.557 -16.789 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.909 -0.615 -16.466 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.648 -2.745 -17.319 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.891 -4.232 -15.507 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.870 -2.781 -15.640 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.081 -2.901 -14.342 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.282 -4.136 -16.108 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.565 -2.800 -14.966 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.006 -2.614 -16.680 1.00 0.00 H new ATOM 478 N ALA A 33 -1.636 -1.258 -12.974 1.00 0.00 N ATOM 479 CA ALA A 33 -0.419 -1.287 -12.173 1.00 0.00 C ATOM 480 C ALA A 33 -0.106 -2.704 -11.703 1.00 0.00 C ATOM 481 O ALA A 33 -0.836 -3.275 -10.895 1.00 0.00 O ATOM 482 CB ALA A 33 -0.548 -0.350 -10.981 1.00 0.00 C ATOM 0 H ALA A 33 -2.326 -1.965 -12.720 1.00 0.00 H new ATOM 0 HA ALA A 33 0.407 -0.948 -12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.369 -0.382 -10.392 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.717 0.667 -11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.389 -0.663 -10.362 1.00 0.00 H new ATOM 488 N ASN A 34 0.985 -3.265 -12.215 1.00 0.00 N ATOM 489 CA ASN A 34 1.394 -4.616 -11.848 1.00 0.00 C ATOM 490 C ASN A 34 0.323 -5.632 -12.233 1.00 0.00 C ATOM 491 O ASN A 34 -0.010 -6.523 -11.452 1.00 0.00 O ATOM 492 CB ASN A 34 1.672 -4.696 -10.346 1.00 0.00 C ATOM 493 CG ASN A 34 3.128 -4.432 -10.013 1.00 0.00 C ATOM 494 OD1 ASN A 34 3.741 -5.349 -9.274 1.00 0.00 O flip ATOM 495 ND2 ASN A 34 3.694 -3.416 -10.415 1.00 0.00 N flip ATOM 0 H ASN A 34 1.601 -2.805 -12.885 1.00 0.00 H new ATOM 0 HA ASN A 34 2.307 -4.853 -12.393 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.046 -3.972 -9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.391 -5.683 -9.979 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.184 -2.738 -10.981 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.674 -3.252 -10.183 1.00 0.00 H new ATOM 502 N GLN A 35 -0.212 -5.491 -13.442 1.00 0.00 N ATOM 503 CA GLN A 35 -1.245 -6.396 -13.930 1.00 0.00 C ATOM 504 C GLN A 35 -2.454 -6.395 -13.000 1.00 0.00 C ATOM 505 O GLN A 35 -3.066 -7.436 -12.762 1.00 0.00 O ATOM 506 CB GLN A 35 -0.689 -7.815 -14.061 1.00 0.00 C ATOM 507 CG GLN A 35 0.528 -7.911 -14.966 1.00 0.00 C ATOM 508 CD GLN A 35 0.697 -9.289 -15.573 1.00 0.00 C ATOM 509 OE1 GLN A 35 0.471 -9.487 -16.767 1.00 0.00 O ATOM 510 NE2 GLN A 35 1.097 -10.253 -14.752 1.00 0.00 N ATOM 0 H GLN A 35 0.053 -4.759 -14.101 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.565 -6.046 -14.912 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.425 -8.185 -13.071 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.471 -8.468 -14.448 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.441 -7.175 -15.765 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.421 -7.658 -14.395 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.273 -10.045 -13.769 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.228 -11.201 -15.104 1.00 0.00 H new ATOM 519 N GLN A 36 -2.792 -5.220 -12.478 1.00 0.00 N ATOM 520 CA GLN A 36 -3.927 -5.085 -11.573 1.00 0.00 C ATOM 521 C GLN A 36 -4.588 -3.719 -11.730 1.00 0.00 C ATOM 522 O GLN A 36 -3.935 -2.739 -12.088 1.00 0.00 O ATOM 523 CB GLN A 36 -3.478 -5.284 -10.125 1.00 0.00 C ATOM 524 CG GLN A 36 -3.297 -6.743 -9.739 1.00 0.00 C ATOM 525 CD GLN A 36 -3.190 -6.942 -8.240 1.00 0.00 C ATOM 526 OE1 GLN A 36 -2.259 -6.451 -7.602 1.00 0.00 O ATOM 527 NE2 GLN A 36 -4.147 -7.665 -7.669 1.00 0.00 N ATOM 0 H GLN A 36 -2.296 -4.349 -12.666 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.657 -5.853 -11.828 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.537 -4.756 -9.969 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.212 -4.829 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.138 -7.322 -10.119 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.399 -7.133 -10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.900 -8.053 -8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.128 -7.832 -6.663 1.00 0.00 H new ATOM 536 N VAL A 37 -5.888 -3.662 -11.460 1.00 0.00 N ATOM 537 CA VAL A 37 -6.638 -2.416 -11.570 1.00 0.00 C ATOM 538 C VAL A 37 -6.425 -1.536 -10.344 1.00 0.00 C ATOM 539 O VAL A 37 -6.736 -1.933 -9.220 1.00 0.00 O ATOM 540 CB VAL A 37 -8.145 -2.682 -11.742 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.911 -1.371 -11.841 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.397 -3.550 -12.966 1.00 0.00 C ATOM 0 H VAL A 37 -6.444 -4.464 -11.163 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.265 -1.899 -12.454 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.504 -3.219 -10.864 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.974 -1.579 -11.962 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.756 -0.790 -10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.552 -0.804 -12.700 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.467 -3.728 -13.072 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.024 -3.042 -13.855 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.881 -4.503 -12.849 1.00 0.00 H new ATOM 552 N PHE A 38 -5.893 -0.339 -10.567 1.00 0.00 N ATOM 553 CA PHE A 38 -5.638 0.599 -9.479 1.00 0.00 C ATOM 554 C PHE A 38 -6.255 1.961 -9.780 1.00 0.00 C ATOM 555 O PHE A 38 -6.393 2.351 -10.940 1.00 0.00 O ATOM 556 CB PHE A 38 -4.132 0.747 -9.249 1.00 0.00 C ATOM 557 CG PHE A 38 -3.544 -0.345 -8.402 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.581 -0.263 -7.019 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.955 -1.453 -8.988 1.00 0.00 C ATOM 560 CE1 PHE A 38 -3.040 -1.266 -6.238 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.413 -2.460 -8.212 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.457 -2.366 -6.834 1.00 0.00 C ATOM 0 H PHE A 38 -5.630 0.005 -11.491 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.100 0.203 -8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.625 0.760 -10.214 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.938 1.709 -8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.038 0.594 -6.547 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.919 -1.531 -10.065 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.073 -1.189 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.956 -3.319 -8.682 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.036 -3.152 -6.224 1.00 0.00 H new ATOM 572 N HIS A 39 -6.625 2.682 -8.726 1.00 0.00 N ATOM 573 CA HIS A 39 -7.228 4.002 -8.876 1.00 0.00 C ATOM 574 C HIS A 39 -6.155 5.084 -8.945 1.00 0.00 C ATOM 575 O HIS A 39 -5.268 5.147 -8.093 1.00 0.00 O ATOM 576 CB HIS A 39 -8.181 4.285 -7.715 1.00 0.00 C ATOM 577 CG HIS A 39 -9.594 3.866 -7.983 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.459 3.458 -6.990 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.291 3.795 -9.141 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.627 3.152 -7.526 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.552 3.349 -8.830 1.00 0.00 N ATOM 0 H HIS A 39 -6.518 2.375 -7.759 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.791 4.014 -9.809 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.820 3.768 -6.826 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.163 5.352 -7.493 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.924 4.043 -10.126 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.496 2.800 -6.989 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.308 3.195 -9.497 1.00 0.00 H new ATOM 589 N ILE A 40 -6.242 5.933 -9.964 1.00 0.00 N ATOM 590 CA ILE A 40 -5.279 7.012 -10.143 1.00 0.00 C ATOM 591 C ILE A 40 -5.013 7.735 -8.827 1.00 0.00 C ATOM 592 O ILE A 40 -3.987 8.396 -8.667 1.00 0.00 O ATOM 593 CB ILE A 40 -5.767 8.034 -11.187 1.00 0.00 C ATOM 594 CG1 ILE A 40 -5.689 7.436 -12.593 1.00 0.00 C ATOM 595 CG2 ILE A 40 -4.945 9.311 -11.102 1.00 0.00 C ATOM 596 CD1 ILE A 40 -6.977 6.784 -13.044 1.00 0.00 C ATOM 0 H ILE A 40 -6.970 5.894 -10.678 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.355 6.555 -10.497 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.807 8.280 -10.975 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.422 8.222 -13.299 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.888 6.697 -12.621 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.302 10.023 -11.846 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.047 9.744 -10.107 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.896 9.082 -11.292 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.849 6.382 -14.049 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.235 5.975 -12.360 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.777 7.524 -13.049 1.00 0.00 H new ATOM 608 N SER A 41 -5.942 7.602 -7.886 1.00 0.00 N ATOM 609 CA SER A 41 -5.809 8.244 -6.583 1.00 0.00 C ATOM 610 C SER A 41 -5.264 7.264 -5.548 1.00 0.00 C ATOM 611 O SER A 41 -4.285 7.552 -4.859 1.00 0.00 O ATOM 612 CB SER A 41 -7.160 8.793 -6.121 1.00 0.00 C ATOM 613 OG SER A 41 -7.611 9.826 -6.980 1.00 0.00 O ATOM 0 H SER A 41 -6.795 7.055 -8.001 1.00 0.00 H new ATOM 0 HA SER A 41 -5.104 9.070 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.895 7.988 -6.098 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.073 9.174 -5.103 1.00 0.00 H new ATOM 0 HG SER A 41 -8.477 10.159 -6.664 1.00 0.00 H new ATOM 619 N CYS A 42 -5.905 6.105 -5.445 1.00 0.00 N ATOM 620 CA CYS A 42 -5.488 5.082 -4.495 1.00 0.00 C ATOM 621 C CYS A 42 -4.005 4.761 -4.658 1.00 0.00 C ATOM 622 O CYS A 42 -3.292 4.552 -3.676 1.00 0.00 O ATOM 623 CB CYS A 42 -6.319 3.811 -4.683 1.00 0.00 C ATOM 624 SG CYS A 42 -8.085 4.013 -4.283 1.00 0.00 S ATOM 0 H CYS A 42 -6.716 5.851 -6.009 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.651 5.469 -3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.227 3.479 -5.717 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.903 3.022 -4.057 1.00 0.00 H new ATOM 629 N PHE A 43 -3.547 4.723 -5.905 1.00 0.00 N ATOM 630 CA PHE A 43 -2.149 4.427 -6.198 1.00 0.00 C ATOM 631 C PHE A 43 -1.222 5.232 -5.292 1.00 0.00 C ATOM 632 O PHE A 43 -0.892 6.381 -5.587 1.00 0.00 O ATOM 633 CB PHE A 43 -1.838 4.731 -7.665 1.00 0.00 C ATOM 634 CG PHE A 43 -0.798 3.824 -8.257 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.890 2.449 -8.105 1.00 0.00 C ATOM 636 CD2 PHE A 43 0.273 4.345 -8.966 1.00 0.00 C ATOM 637 CE1 PHE A 43 0.066 1.613 -8.648 1.00 0.00 C ATOM 638 CE2 PHE A 43 1.232 3.513 -9.512 1.00 0.00 C ATOM 639 CZ PHE A 43 1.128 2.145 -9.354 1.00 0.00 C ATOM 0 H PHE A 43 -4.123 4.893 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.981 3.367 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.756 4.648 -8.248 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.499 5.764 -7.750 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.719 2.027 -7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.359 5.414 -9.093 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.017 0.544 -8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.062 3.932 -10.062 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.875 1.492 -9.781 1.00 0.00 H new ATOM 649 N ARG A 44 -0.805 4.620 -4.188 1.00 0.00 N ATOM 650 CA ARG A 44 0.083 5.279 -3.238 1.00 0.00 C ATOM 651 C ARG A 44 1.042 4.276 -2.604 1.00 0.00 C ATOM 652 O ARG A 44 0.854 3.064 -2.717 1.00 0.00 O ATOM 653 CB ARG A 44 -0.731 5.981 -2.150 1.00 0.00 C ATOM 654 CG ARG A 44 -1.761 6.957 -2.693 1.00 0.00 C ATOM 655 CD ARG A 44 -2.796 7.320 -1.640 1.00 0.00 C ATOM 656 NE ARG A 44 -3.751 8.310 -2.129 1.00 0.00 N ATOM 657 CZ ARG A 44 -4.902 8.583 -1.523 1.00 0.00 C ATOM 658 NH1 ARG A 44 -5.238 7.943 -0.412 1.00 0.00 N ATOM 659 NH2 ARG A 44 -5.719 9.498 -2.029 1.00 0.00 N ATOM 0 H ARG A 44 -1.068 3.669 -3.930 1.00 0.00 H new ATOM 0 HA ARG A 44 0.668 6.021 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.239 5.229 -1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.051 6.516 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.260 7.861 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.259 6.518 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.331 6.421 -1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.292 7.709 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.522 8.820 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.613 7.239 -0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.122 8.155 0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.464 9.993 -2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.602 9.707 -1.563 1.00 0.00 H new ATOM 673 N CYS A 45 2.071 4.789 -1.938 1.00 0.00 N ATOM 674 CA CYS A 45 3.060 3.939 -1.286 1.00 0.00 C ATOM 675 C CYS A 45 2.486 3.307 -0.021 1.00 0.00 C ATOM 676 O CYS A 45 1.720 3.938 0.707 1.00 0.00 O ATOM 677 CB CYS A 45 4.312 4.750 -0.942 1.00 0.00 C ATOM 678 SG CYS A 45 5.449 3.909 0.206 1.00 0.00 S ATOM 0 H CYS A 45 2.242 5.789 -1.836 1.00 0.00 H new ATOM 0 HA CYS A 45 3.330 3.141 -1.978 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.847 4.980 -1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.007 5.700 -0.504 1.00 0.00 H new ATOM 683 N SER A 46 2.863 2.058 0.233 1.00 0.00 N ATOM 684 CA SER A 46 2.384 1.339 1.408 1.00 0.00 C ATOM 685 C SER A 46 3.216 1.690 2.637 1.00 0.00 C ATOM 686 O SER A 46 3.341 0.891 3.565 1.00 0.00 O ATOM 687 CB SER A 46 2.429 -0.170 1.161 1.00 0.00 C ATOM 688 OG SER A 46 1.629 -0.865 2.103 1.00 0.00 O ATOM 0 H SER A 46 3.499 1.523 -0.359 1.00 0.00 H new ATOM 0 HA SER A 46 1.353 1.640 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.079 -0.387 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.459 -0.522 1.224 1.00 0.00 H new ATOM 0 HG SER A 46 1.862 -0.573 3.009 1.00 0.00 H new ATOM 694 N TYR A 47 3.783 2.891 2.636 1.00 0.00 N ATOM 695 CA TYR A 47 4.606 3.349 3.749 1.00 0.00 C ATOM 696 C TYR A 47 4.250 4.781 4.137 1.00 0.00 C ATOM 697 O TYR A 47 3.860 5.050 5.274 1.00 0.00 O ATOM 698 CB TYR A 47 6.089 3.262 3.384 1.00 0.00 C ATOM 699 CG TYR A 47 7.014 3.373 4.575 1.00 0.00 C ATOM 700 CD1 TYR A 47 6.988 4.493 5.397 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.913 2.358 4.879 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.831 4.599 6.486 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.759 2.455 5.967 1.00 0.00 C ATOM 704 CZ TYR A 47 8.714 3.578 6.767 1.00 0.00 C ATOM 705 OH TYR A 47 9.556 3.679 7.851 1.00 0.00 O ATOM 0 H TYR A 47 3.688 3.565 1.877 1.00 0.00 H new ATOM 0 HA TYR A 47 4.410 2.701 4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.275 2.315 2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.327 4.055 2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.297 5.294 5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.951 1.478 4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.799 5.477 7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.451 1.657 6.190 1.00 0.00 H new ATOM 0 HH TYR A 47 10.113 2.875 7.909 1.00 0.00 H new ATOM 715 N CYS A 48 4.386 5.696 3.184 1.00 0.00 N ATOM 716 CA CYS A 48 4.079 7.101 3.424 1.00 0.00 C ATOM 717 C CYS A 48 2.675 7.442 2.934 1.00 0.00 C ATOM 718 O CYS A 48 2.044 8.376 3.428 1.00 0.00 O ATOM 719 CB CYS A 48 5.105 7.996 2.725 1.00 0.00 C ATOM 720 SG CYS A 48 5.545 7.450 1.044 1.00 0.00 S ATOM 0 H CYS A 48 4.707 5.490 2.238 1.00 0.00 H new ATOM 0 HA CYS A 48 4.124 7.278 4.499 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.711 9.011 2.674 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.010 8.035 3.331 1.00 0.00 H new ATOM 725 N ASN A 49 2.191 6.678 1.960 1.00 0.00 N ATOM 726 CA ASN A 49 0.862 6.898 1.403 1.00 0.00 C ATOM 727 C ASN A 49 0.835 8.158 0.543 1.00 0.00 C ATOM 728 O ASN A 49 0.011 9.047 0.752 1.00 0.00 O ATOM 729 CB ASN A 49 -0.172 7.012 2.526 1.00 0.00 C ATOM 730 CG ASN A 49 -1.594 6.868 2.019 1.00 0.00 C ATOM 731 OD1 ASN A 49 -2.147 7.788 1.418 1.00 0.00 O ATOM 732 ND2 ASN A 49 -2.193 5.708 2.262 1.00 0.00 N ATOM 0 H ASN A 49 2.700 5.900 1.540 1.00 0.00 H new ATOM 0 HA ASN A 49 0.613 6.044 0.774 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.023 6.245 3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.062 7.977 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.150 5.552 1.946 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.696 4.973 2.764 1.00 0.00 H new ATOM 739 N ASN A 50 1.742 8.226 -0.426 1.00 0.00 N ATOM 740 CA ASN A 50 1.822 9.376 -1.319 1.00 0.00 C ATOM 741 C ASN A 50 1.485 8.977 -2.752 1.00 0.00 C ATOM 742 O ASN A 50 2.070 8.044 -3.304 1.00 0.00 O ATOM 743 CB ASN A 50 3.222 9.992 -1.266 1.00 0.00 C ATOM 744 CG ASN A 50 3.387 10.952 -0.103 1.00 0.00 C ATOM 745 OD1 ASN A 50 2.705 11.974 -0.026 1.00 0.00 O ATOM 746 ND2 ASN A 50 4.296 10.626 0.808 1.00 0.00 N ATOM 0 H ASN A 50 2.432 7.498 -0.613 1.00 0.00 H new ATOM 0 HA ASN A 50 1.093 10.115 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.963 9.197 -1.185 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.420 10.519 -2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.452 11.233 1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.838 9.769 0.703 1.00 0.00 H new ATOM 753 N LYS A 51 0.536 9.689 -3.351 1.00 0.00 N ATOM 754 CA LYS A 51 0.121 9.412 -4.721 1.00 0.00 C ATOM 755 C LYS A 51 1.331 9.218 -5.629 1.00 0.00 C ATOM 756 O LYS A 51 2.299 9.977 -5.560 1.00 0.00 O ATOM 757 CB LYS A 51 -0.751 10.553 -5.252 1.00 0.00 C ATOM 758 CG LYS A 51 -1.790 10.104 -6.264 1.00 0.00 C ATOM 759 CD LYS A 51 -2.844 11.174 -6.493 1.00 0.00 C ATOM 760 CE LYS A 51 -2.292 12.333 -7.310 1.00 0.00 C ATOM 761 NZ LYS A 51 -1.693 13.386 -6.443 1.00 0.00 N ATOM 0 H LYS A 51 0.040 10.463 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.460 8.489 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.256 11.033 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.110 11.305 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.300 9.866 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.269 9.189 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.700 10.739 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.204 11.543 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.538 11.962 -8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.091 12.768 -7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.204 14.281 -6.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.763 13.097 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.693 13.516 -6.696 1.00 0.00 H new ATOM 775 N LEU A 52 1.270 8.199 -6.479 1.00 0.00 N ATOM 776 CA LEU A 52 2.361 7.907 -7.402 1.00 0.00 C ATOM 777 C LEU A 52 1.871 7.918 -8.846 1.00 0.00 C ATOM 778 O LEU A 52 0.716 8.248 -9.117 1.00 0.00 O ATOM 779 CB LEU A 52 2.983 6.548 -7.073 1.00 0.00 C ATOM 780 CG LEU A 52 3.467 6.362 -5.635 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.665 4.886 -5.325 1.00 0.00 C ATOM 782 CD2 LEU A 52 4.757 7.136 -5.401 1.00 0.00 C ATOM 0 H LEU A 52 0.477 7.561 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 52 3.117 8.684 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.249 5.772 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.827 6.385 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 52 2.705 6.755 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.010 4.773 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.720 4.358 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.408 4.468 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.086 6.992 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.527 6.774 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.583 8.197 -5.581 1.00 0.00 H new ATOM 794 N SER A 53 2.755 7.553 -9.769 1.00 0.00 N ATOM 795 CA SER A 53 2.413 7.523 -11.186 1.00 0.00 C ATOM 796 C SER A 53 3.225 6.459 -11.918 1.00 0.00 C ATOM 797 O SER A 53 4.339 6.125 -11.515 1.00 0.00 O ATOM 798 CB SER A 53 2.657 8.893 -11.821 1.00 0.00 C ATOM 799 OG SER A 53 1.704 9.841 -11.370 1.00 0.00 O ATOM 0 H SER A 53 3.714 7.274 -9.561 1.00 0.00 H new ATOM 0 HA SER A 53 1.356 7.273 -11.274 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.662 9.237 -11.576 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.605 8.809 -12.907 1.00 0.00 H new ATOM 0 HG SER A 53 1.140 9.435 -10.679 1.00 0.00 H new ATOM 805 N LEU A 54 2.658 5.930 -12.997 1.00 0.00 N ATOM 806 CA LEU A 54 3.328 4.904 -13.788 1.00 0.00 C ATOM 807 C LEU A 54 4.761 5.314 -14.111 1.00 0.00 C ATOM 808 O LEU A 54 5.000 6.119 -15.009 1.00 0.00 O ATOM 809 CB LEU A 54 2.556 4.644 -15.083 1.00 0.00 C ATOM 810 CG LEU A 54 1.092 4.233 -14.921 1.00 0.00 C ATOM 811 CD1 LEU A 54 0.416 4.121 -16.278 1.00 0.00 C ATOM 812 CD2 LEU A 54 0.989 2.918 -14.161 1.00 0.00 C ATOM 0 H LEU A 54 1.736 6.195 -13.344 1.00 0.00 H new ATOM 0 HA LEU A 54 3.356 3.987 -13.199 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.594 5.547 -15.692 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.073 3.862 -15.640 1.00 0.00 H new ATOM 0 HG LEU A 54 0.579 5.004 -14.346 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.625 3.828 -16.143 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.458 5.084 -16.786 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.929 3.371 -16.879 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.060 2.640 -14.055 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.517 2.138 -14.710 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.436 3.033 -13.173 1.00 0.00 H new ATOM 824 N GLY A 55 5.713 4.751 -13.372 1.00 0.00 N ATOM 825 CA GLY A 55 7.111 5.069 -13.596 1.00 0.00 C ATOM 826 C GLY A 55 7.901 5.154 -12.305 1.00 0.00 C ATOM 827 O GLY A 55 9.030 4.667 -12.225 1.00 0.00 O ATOM 0 H GLY A 55 5.541 4.081 -12.623 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.554 4.310 -14.240 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.184 6.019 -14.126 1.00 0.00 H new ATOM 831 N THR A 56 7.308 5.774 -11.289 1.00 0.00 N ATOM 832 CA THR A 56 7.964 5.923 -9.997 1.00 0.00 C ATOM 833 C THR A 56 7.539 4.820 -9.034 1.00 0.00 C ATOM 834 O THR A 56 8.338 4.348 -8.225 1.00 0.00 O ATOM 835 CB THR A 56 7.650 7.292 -9.362 1.00 0.00 C ATOM 836 OG1 THR A 56 8.340 7.423 -8.114 1.00 0.00 O ATOM 837 CG2 THR A 56 6.154 7.455 -9.140 1.00 0.00 C ATOM 0 H THR A 56 6.374 6.181 -11.337 1.00 0.00 H new ATOM 0 HA THR A 56 9.037 5.851 -10.177 1.00 0.00 H new ATOM 0 HB THR A 56 7.987 8.071 -10.046 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.137 8.296 -7.718 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.957 8.428 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.635 7.384 -10.096 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.797 6.669 -8.474 1.00 0.00 H new ATOM 845 N TYR A 57 6.278 4.414 -9.127 1.00 0.00 N ATOM 846 CA TYR A 57 5.747 3.366 -8.262 1.00 0.00 C ATOM 847 C TYR A 57 6.609 2.109 -8.337 1.00 0.00 C ATOM 848 O TYR A 57 7.335 1.898 -9.308 1.00 0.00 O ATOM 849 CB TYR A 57 4.306 3.035 -8.654 1.00 0.00 C ATOM 850 CG TYR A 57 4.201 2.076 -9.818 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.189 2.540 -11.127 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.113 0.705 -9.608 1.00 0.00 C ATOM 853 CE1 TYR A 57 4.092 1.667 -12.194 1.00 0.00 C ATOM 854 CE2 TYR A 57 4.017 -0.175 -10.669 1.00 0.00 C ATOM 855 CZ TYR A 57 4.006 0.311 -11.959 1.00 0.00 C ATOM 856 OH TYR A 57 3.911 -0.562 -13.019 1.00 0.00 O ATOM 0 H TYR A 57 5.604 4.794 -9.792 1.00 0.00 H new ATOM 0 HA TYR A 57 5.762 3.734 -7.236 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.793 2.606 -7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.786 3.959 -8.907 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.257 3.601 -11.314 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.120 0.321 -8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.084 2.045 -13.206 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.951 -1.238 -10.489 1.00 0.00 H new ATOM 0 HH TYR A 57 3.860 -1.481 -12.682 1.00 0.00 H new ATOM 866 N ALA A 58 6.521 1.278 -7.304 1.00 0.00 N ATOM 867 CA ALA A 58 7.289 0.040 -7.253 1.00 0.00 C ATOM 868 C ALA A 58 6.593 -1.003 -6.385 1.00 0.00 C ATOM 869 O ALA A 58 6.465 -0.830 -5.173 1.00 0.00 O ATOM 870 CB ALA A 58 8.692 0.311 -6.731 1.00 0.00 C ATOM 0 H ALA A 58 5.926 1.439 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 58 7.359 -0.357 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.254 -0.622 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.196 1.016 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.632 0.734 -5.728 1.00 0.00 H new ATOM 876 N SER A 59 6.143 -2.084 -7.014 1.00 0.00 N ATOM 877 CA SER A 59 5.455 -3.153 -6.299 1.00 0.00 C ATOM 878 C SER A 59 6.368 -4.364 -6.123 1.00 0.00 C ATOM 879 O SER A 59 7.121 -4.725 -7.028 1.00 0.00 O ATOM 880 CB SER A 59 4.186 -3.562 -7.049 1.00 0.00 C ATOM 881 OG SER A 59 3.797 -4.882 -6.711 1.00 0.00 O ATOM 0 H SER A 59 6.242 -2.243 -8.017 1.00 0.00 H new ATOM 0 HA SER A 59 5.181 -2.779 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.379 -2.869 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.357 -3.494 -8.123 1.00 0.00 H new ATOM 0 HG SER A 59 3.686 -5.410 -7.529 1.00 0.00 H new ATOM 887 N LEU A 60 6.294 -4.985 -4.951 1.00 0.00 N ATOM 888 CA LEU A 60 7.113 -6.156 -4.654 1.00 0.00 C ATOM 889 C LEU A 60 6.242 -7.391 -4.446 1.00 0.00 C ATOM 890 O LEU A 60 6.219 -8.295 -5.282 1.00 0.00 O ATOM 891 CB LEU A 60 7.966 -5.904 -3.410 1.00 0.00 C ATOM 892 CG LEU A 60 9.036 -6.953 -3.105 1.00 0.00 C ATOM 893 CD1 LEU A 60 10.015 -7.069 -4.263 1.00 0.00 C ATOM 894 CD2 LEU A 60 9.769 -6.608 -1.817 1.00 0.00 C ATOM 0 H LEU A 60 5.676 -4.698 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 60 7.769 -6.336 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.456 -4.936 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.303 -5.830 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 60 8.545 -7.917 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.769 -7.820 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.478 -7.363 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.500 -6.107 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.527 -7.365 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.248 -5.634 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.058 -6.577 -0.991 1.00 0.00 H new ATOM 906 N HIS A 61 5.526 -7.421 -3.327 1.00 0.00 N ATOM 907 CA HIS A 61 4.650 -8.544 -3.010 1.00 0.00 C ATOM 908 C HIS A 61 3.184 -8.152 -3.167 1.00 0.00 C ATOM 909 O HIS A 61 2.336 -8.549 -2.369 1.00 0.00 O ATOM 910 CB HIS A 61 4.910 -9.034 -1.585 1.00 0.00 C ATOM 911 CG HIS A 61 6.347 -9.355 -1.314 1.00 0.00 C ATOM 912 ND1 HIS A 61 7.016 -8.921 -0.189 1.00 0.00 N ATOM 913 CD2 HIS A 61 7.244 -10.073 -2.030 1.00 0.00 C ATOM 914 CE1 HIS A 61 8.263 -9.358 -0.225 1.00 0.00 C ATOM 915 NE2 HIS A 61 8.427 -10.060 -1.332 1.00 0.00 N ATOM 0 H HIS A 61 5.535 -6.681 -2.625 1.00 0.00 H new ATOM 0 HA HIS A 61 4.868 -9.351 -3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.578 -8.271 -0.881 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.307 -9.923 -1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.063 -10.565 -2.974 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.019 -9.173 0.523 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.291 -10.518 -1.621 1.00 0.00 H new ATOM 924 N GLY A 62 2.894 -7.368 -4.201 1.00 0.00 N ATOM 925 CA GLY A 62 1.530 -6.934 -4.442 1.00 0.00 C ATOM 926 C GLY A 62 1.271 -5.528 -3.939 1.00 0.00 C ATOM 927 O GLY A 62 0.388 -4.833 -4.443 1.00 0.00 O ATOM 0 H GLY A 62 3.578 -7.026 -4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.322 -6.978 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.841 -7.624 -3.954 1.00 0.00 H new ATOM 931 N ARG A 63 2.042 -5.107 -2.941 1.00 0.00 N ATOM 932 CA ARG A 63 1.890 -3.775 -2.367 1.00 0.00 C ATOM 933 C ARG A 63 2.750 -2.760 -3.114 1.00 0.00 C ATOM 934 O ARG A 63 3.829 -3.089 -3.607 1.00 0.00 O ATOM 935 CB ARG A 63 2.268 -3.789 -0.885 1.00 0.00 C ATOM 936 CG ARG A 63 1.110 -4.136 0.036 1.00 0.00 C ATOM 937 CD ARG A 63 1.586 -4.385 1.459 1.00 0.00 C ATOM 938 NE ARG A 63 2.026 -5.763 1.656 1.00 0.00 N ATOM 939 CZ ARG A 63 3.276 -6.170 1.466 1.00 0.00 C ATOM 940 NH1 ARG A 63 4.205 -5.308 1.077 1.00 0.00 N ATOM 941 NH2 ARG A 63 3.599 -7.442 1.666 1.00 0.00 N ATOM 0 H ARG A 63 2.778 -5.669 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 63 0.845 -3.481 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.072 -4.509 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.659 -2.810 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.383 -3.323 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.599 -5.023 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.407 -3.706 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.779 -4.159 2.156 1.00 0.00 H new ATOM 0 HE ARG A 63 1.335 -6.451 1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.961 -4.330 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.164 -5.623 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.887 -8.108 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.559 -7.753 1.520 1.00 0.00 H new ATOM 955 N ILE A 64 2.264 -1.526 -3.194 1.00 0.00 N ATOM 956 CA ILE A 64 2.989 -0.463 -3.879 1.00 0.00 C ATOM 957 C ILE A 64 3.923 0.271 -2.923 1.00 0.00 C ATOM 958 O ILE A 64 3.709 0.276 -1.711 1.00 0.00 O ATOM 959 CB ILE A 64 2.025 0.554 -4.519 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.765 -0.152 -5.022 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.714 1.294 -5.655 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.020 -1.092 -6.180 1.00 0.00 C ATOM 0 H ILE A 64 1.372 -1.238 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 64 3.577 -0.938 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 64 1.733 1.282 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.320 -0.713 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.035 0.598 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.020 2.009 -6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.584 1.824 -5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.032 0.580 -6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.082 -1.557 -6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.436 -0.533 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.725 -1.864 -5.873 1.00 0.00 H new ATOM 974 N TYR A 65 4.959 0.891 -3.477 1.00 0.00 N ATOM 975 CA TYR A 65 5.927 1.629 -2.674 1.00 0.00 C ATOM 976 C TYR A 65 6.606 2.716 -3.501 1.00 0.00 C ATOM 977 O TYR A 65 6.846 2.544 -4.697 1.00 0.00 O ATOM 978 CB TYR A 65 6.978 0.676 -2.102 1.00 0.00 C ATOM 979 CG TYR A 65 6.484 -0.134 -0.924 1.00 0.00 C ATOM 980 CD1 TYR A 65 6.595 0.350 0.373 1.00 0.00 C ATOM 981 CD2 TYR A 65 5.906 -1.384 -1.109 1.00 0.00 C ATOM 982 CE1 TYR A 65 6.146 -0.387 1.452 1.00 0.00 C ATOM 983 CE2 TYR A 65 5.452 -2.127 -0.037 1.00 0.00 C ATOM 984 CZ TYR A 65 5.575 -1.625 1.242 1.00 0.00 C ATOM 985 OH TYR A 65 5.126 -2.362 2.313 1.00 0.00 O ATOM 0 H TYR A 65 5.150 0.897 -4.479 1.00 0.00 H new ATOM 0 HA TYR A 65 5.392 2.105 -1.852 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.306 -0.004 -2.888 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.851 1.253 -1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.040 1.320 0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.810 -1.781 -2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.242 0.004 2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.003 -3.096 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 65 4.837 -1.757 3.028 1.00 0.00 H new ATOM 995 N CYS A 66 6.915 3.835 -2.855 1.00 0.00 N ATOM 996 CA CYS A 66 7.568 4.952 -3.529 1.00 0.00 C ATOM 997 C CYS A 66 9.058 4.681 -3.710 1.00 0.00 C ATOM 998 O CYS A 66 9.675 3.975 -2.912 1.00 0.00 O ATOM 999 CB CYS A 66 7.365 6.243 -2.733 1.00 0.00 C ATOM 1000 SG CYS A 66 8.220 6.267 -1.125 1.00 0.00 S ATOM 0 H CYS A 66 6.724 3.993 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 66 7.116 5.066 -4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.715 7.085 -3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.298 6.391 -2.567 1.00 0.00 H new ATOM 1005 N LYS A 67 9.633 5.250 -4.765 1.00 0.00 N ATOM 1006 CA LYS A 67 11.051 5.073 -5.052 1.00 0.00 C ATOM 1007 C LYS A 67 11.887 5.232 -3.786 1.00 0.00 C ATOM 1008 O LYS A 67 12.758 4.417 -3.482 1.00 0.00 O ATOM 1009 CB LYS A 67 11.509 6.082 -6.108 1.00 0.00 C ATOM 1010 CG LYS A 67 11.135 5.690 -7.527 1.00 0.00 C ATOM 1011 CD LYS A 67 11.929 4.483 -7.999 1.00 0.00 C ATOM 1012 CE LYS A 67 11.182 3.712 -9.076 1.00 0.00 C ATOM 1013 NZ LYS A 67 11.968 2.548 -9.571 1.00 0.00 N ATOM 0 H LYS A 67 9.138 5.838 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 67 11.194 4.063 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.073 7.055 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.591 6.195 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.069 5.467 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.315 6.530 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.894 4.810 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.131 3.826 -7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.229 3.364 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.956 4.378 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.425 2.049 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.867 2.882 -9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.162 1.899 -8.782 1.00 0.00 H new ATOM 1027 N PRO A 68 11.616 6.305 -3.028 1.00 0.00 N ATOM 1028 CA PRO A 68 12.331 6.595 -1.782 1.00 0.00 C ATOM 1029 C PRO A 68 12.427 5.375 -0.872 1.00 0.00 C ATOM 1030 O PRO A 68 13.513 4.842 -0.643 1.00 0.00 O ATOM 1031 CB PRO A 68 11.477 7.684 -1.128 1.00 0.00 C ATOM 1032 CG PRO A 68 10.781 8.352 -2.263 1.00 0.00 C ATOM 1033 CD PRO A 68 10.591 7.319 -3.330 1.00 0.00 C ATOM 0 HA PRO A 68 13.363 6.896 -1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.764 7.258 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.094 8.390 -0.571 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.821 8.756 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.370 9.189 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.588 6.894 -3.300 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.729 7.742 -4.325 1.00 0.00 H new ATOM 1041 N HIS A 69 11.283 4.936 -0.355 1.00 0.00 N ATOM 1042 CA HIS A 69 11.239 3.777 0.530 1.00 0.00 C ATOM 1043 C HIS A 69 11.711 2.521 -0.196 1.00 0.00 C ATOM 1044 O HIS A 69 12.529 1.762 0.323 1.00 0.00 O ATOM 1045 CB HIS A 69 9.821 3.570 1.063 1.00 0.00 C ATOM 1046 CG HIS A 69 9.449 4.518 2.161 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.245 5.189 2.201 1.00 0.00 N ATOM 1048 CD2 HIS A 69 10.131 4.905 3.265 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.203 5.948 3.281 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.335 5.794 3.944 1.00 0.00 N ATOM 0 H HIS A 69 10.375 5.365 -0.534 1.00 0.00 H new ATOM 0 HA HIS A 69 11.910 3.965 1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.113 3.683 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.725 2.548 1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.117 4.576 3.557 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.382 6.586 3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.578 6.260 4.818 1.00 0.00 H new ATOM 1058 N PHE A 70 11.189 2.308 -1.400 1.00 0.00 N ATOM 1059 CA PHE A 70 11.556 1.143 -2.197 1.00 0.00 C ATOM 1060 C PHE A 70 13.071 0.970 -2.242 1.00 0.00 C ATOM 1061 O PHE A 70 13.596 -0.086 -1.890 1.00 0.00 O ATOM 1062 CB PHE A 70 11.004 1.276 -3.617 1.00 0.00 C ATOM 1063 CG PHE A 70 11.486 0.202 -4.551 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.748 0.274 -5.117 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.676 -0.878 -4.862 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.195 -0.712 -5.976 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.118 -1.868 -5.720 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.378 -1.784 -6.279 1.00 0.00 C ATOM 0 H PHE A 70 10.511 2.927 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 70 11.121 0.261 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.915 1.251 -3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.287 2.249 -4.018 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.390 1.110 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.689 -0.947 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.182 -0.645 -6.410 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.478 -2.706 -5.953 1.00 0.00 H new ATOM 0 HZ PHE A 70 12.724 -2.555 -6.952 1.00 0.00 H new ATOM 1078 N ASN A 71 13.767 2.014 -2.678 1.00 0.00 N ATOM 1079 CA ASN A 71 15.222 1.978 -2.771 1.00 0.00 C ATOM 1080 C ASN A 71 15.857 2.016 -1.384 1.00 0.00 C ATOM 1081 O ASN A 71 17.080 2.033 -1.251 1.00 0.00 O ATOM 1082 CB ASN A 71 15.730 3.154 -3.608 1.00 0.00 C ATOM 1083 CG ASN A 71 15.241 3.096 -5.042 1.00 0.00 C ATOM 1084 OD1 ASN A 71 15.298 2.050 -5.688 1.00 0.00 O ATOM 1085 ND2 ASN A 71 14.756 4.225 -5.548 1.00 0.00 N ATOM 0 H ASN A 71 13.347 2.896 -2.973 1.00 0.00 H new ATOM 0 HA ASN A 71 15.507 1.045 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.403 4.089 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.820 3.159 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.412 4.247 -6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.728 5.069 -4.976 1.00 0.00 H new ATOM 1092 N GLN A 72 15.016 2.028 -0.355 1.00 0.00 N ATOM 1093 CA GLN A 72 15.495 2.064 1.022 1.00 0.00 C ATOM 1094 C GLN A 72 15.309 0.710 1.699 1.00 0.00 C ATOM 1095 O GLN A 72 16.087 0.328 2.574 1.00 0.00 O ATOM 1096 CB GLN A 72 14.760 3.147 1.813 1.00 0.00 C ATOM 1097 CG GLN A 72 14.994 3.071 3.313 1.00 0.00 C ATOM 1098 CD GLN A 72 14.554 4.328 4.037 1.00 0.00 C ATOM 1099 OE1 GLN A 72 13.847 5.166 3.476 1.00 0.00 O ATOM 1100 NE2 GLN A 72 14.969 4.465 5.290 1.00 0.00 N ATOM 0 H GLN A 72 14.000 2.013 -0.448 1.00 0.00 H new ATOM 0 HA GLN A 72 16.560 2.298 1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.077 4.126 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.691 3.066 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.454 2.215 3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.053 2.899 3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.554 3.745 5.715 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.703 5.290 5.828 1.00 0.00 H new ATOM 1109 N LEU A 73 14.272 -0.013 1.289 1.00 0.00 N ATOM 1110 CA LEU A 73 13.983 -1.326 1.855 1.00 0.00 C ATOM 1111 C LEU A 73 14.394 -2.437 0.894 1.00 0.00 C ATOM 1112 O LEU A 73 14.760 -3.534 1.317 1.00 0.00 O ATOM 1113 CB LEU A 73 12.493 -1.445 2.182 1.00 0.00 C ATOM 1114 CG LEU A 73 11.847 -0.217 2.825 1.00 0.00 C ATOM 1115 CD1 LEU A 73 10.359 -0.173 2.515 1.00 0.00 C ATOM 1116 CD2 LEU A 73 12.080 -0.217 4.329 1.00 0.00 C ATOM 0 H LEU A 73 13.618 0.288 0.567 1.00 0.00 H new ATOM 0 HA LEU A 73 14.561 -1.433 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.956 -1.673 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.355 -2.295 2.850 1.00 0.00 H new ATOM 0 HG LEU A 73 12.312 0.675 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.916 0.707 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.213 -0.125 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.879 -1.070 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.613 0.664 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.643 -1.115 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.151 -0.200 4.531 1.00 0.00 H new ATOM 1128 N PHE A 74 14.335 -2.144 -0.401 1.00 0.00 N ATOM 1129 CA PHE A 74 14.703 -3.117 -1.422 1.00 0.00 C ATOM 1130 C PHE A 74 16.218 -3.186 -1.588 1.00 0.00 C ATOM 1131 O PHE A 74 16.816 -4.258 -1.498 1.00 0.00 O ATOM 1132 CB PHE A 74 14.048 -2.759 -2.758 1.00 0.00 C ATOM 1133 CG PHE A 74 12.551 -2.879 -2.743 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.807 -2.305 -1.726 1.00 0.00 C ATOM 1135 CD2 PHE A 74 11.888 -3.567 -3.747 1.00 0.00 C ATOM 1136 CE1 PHE A 74 10.429 -2.413 -1.709 1.00 0.00 C ATOM 1137 CE2 PHE A 74 10.511 -3.678 -3.736 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.780 -3.102 -2.716 1.00 0.00 C ATOM 0 H PHE A 74 14.036 -1.240 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 74 14.346 -4.095 -1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.320 -1.738 -3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.449 -3.409 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.310 -1.766 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.454 -4.021 -4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.861 -1.960 -0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 74 10.006 -4.215 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.704 -3.190 -2.705 1.00 0.00 H new ATOM 1148 N LYS A 75 16.833 -2.034 -1.831 1.00 0.00 N ATOM 1149 CA LYS A 75 18.278 -1.960 -2.009 1.00 0.00 C ATOM 1150 C LYS A 75 19.006 -2.454 -0.762 1.00 0.00 C ATOM 1151 O LYS A 75 20.028 -3.133 -0.857 1.00 0.00 O ATOM 1152 CB LYS A 75 18.702 -0.523 -2.323 1.00 0.00 C ATOM 1153 CG LYS A 75 19.922 -0.432 -3.223 1.00 0.00 C ATOM 1154 CD LYS A 75 19.530 -0.386 -4.691 1.00 0.00 C ATOM 1155 CE LYS A 75 19.042 0.997 -5.094 1.00 0.00 C ATOM 1156 NZ LYS A 75 20.101 2.030 -4.924 1.00 0.00 N ATOM 0 H LYS A 75 16.353 -1.138 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 75 18.549 -2.603 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.870 -0.003 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.911 -0.002 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.496 0.460 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.571 -1.290 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.386 -0.665 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.747 -1.120 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 75 18.716 0.978 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 75 18.173 1.265 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 20.171 2.601 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 19.859 2.646 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.013 1.565 -4.741 1.00 0.00 H new ATOM 1170 N SER A 76 18.471 -2.110 0.405 1.00 0.00 N ATOM 1171 CA SER A 76 19.071 -2.517 1.670 1.00 0.00 C ATOM 1172 C SER A 76 18.769 -3.982 1.968 1.00 0.00 C ATOM 1173 O SER A 76 17.656 -4.332 2.362 1.00 0.00 O ATOM 1174 CB SER A 76 18.556 -1.636 2.810 1.00 0.00 C ATOM 1175 OG SER A 76 19.174 -0.361 2.789 1.00 0.00 O ATOM 0 H SER A 76 17.623 -1.551 0.501 1.00 0.00 H new ATOM 0 HA SER A 76 20.151 -2.396 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.475 -1.521 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.751 -2.122 3.766 1.00 0.00 H new ATOM 0 HG SER A 76 18.826 0.183 3.526 1.00 0.00 H new ATOM 1181 N LYS A 77 19.769 -4.836 1.777 1.00 0.00 N ATOM 1182 CA LYS A 77 19.614 -6.265 2.026 1.00 0.00 C ATOM 1183 C LYS A 77 20.937 -6.889 2.457 1.00 0.00 C ATOM 1184 O LYS A 77 21.979 -6.235 2.438 1.00 0.00 O ATOM 1185 CB LYS A 77 19.090 -6.968 0.772 1.00 0.00 C ATOM 1186 CG LYS A 77 18.249 -8.197 1.070 1.00 0.00 C ATOM 1187 CD LYS A 77 17.162 -8.395 0.027 1.00 0.00 C ATOM 1188 CE LYS A 77 15.872 -7.697 0.428 1.00 0.00 C ATOM 1189 NZ LYS A 77 16.031 -6.217 0.467 1.00 0.00 N ATOM 0 H LYS A 77 20.696 -4.563 1.450 1.00 0.00 H new ATOM 0 HA LYS A 77 18.893 -6.392 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.495 -6.263 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 77 19.936 -7.259 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 77 18.889 -9.078 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.795 -8.098 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 77 17.503 -8.008 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 77 16.974 -9.460 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.083 -7.959 -0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.555 -8.054 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.102 -5.772 0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.665 -5.956 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.437 -5.888 -0.432 1.00 0.00 H new ATOM 1203 N GLY A 78 20.889 -8.160 2.843 1.00 0.00 N ATOM 1204 CA GLY A 78 22.091 -8.852 3.271 1.00 0.00 C ATOM 1205 C GLY A 78 22.283 -10.176 2.559 1.00 0.00 C ATOM 1206 O GLY A 78 23.149 -10.303 1.694 1.00 0.00 O ATOM 0 H GLY A 78 20.039 -8.723 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 78 22.957 -8.216 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.044 -9.025 4.346 1.00 0.00 H new ATOM 1210 N ASN A 79 21.473 -11.165 2.924 1.00 0.00 N ATOM 1211 CA ASN A 79 21.560 -12.488 2.315 1.00 0.00 C ATOM 1212 C ASN A 79 20.886 -12.501 0.946 1.00 0.00 C ATOM 1213 O ASN A 79 19.984 -11.708 0.679 1.00 0.00 O ATOM 1214 CB ASN A 79 20.914 -13.534 3.224 1.00 0.00 C ATOM 1215 CG ASN A 79 19.402 -13.420 3.253 1.00 0.00 C ATOM 1216 OD1 ASN A 79 18.847 -12.532 3.900 1.00 0.00 O ATOM 1217 ND2 ASN A 79 18.727 -14.323 2.550 1.00 0.00 N ATOM 0 H ASN A 79 20.750 -11.076 3.638 1.00 0.00 H new ATOM 0 HA ASN A 79 22.614 -12.732 2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 79 21.194 -14.531 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 79 21.304 -13.422 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 79 17.707 -14.297 2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 79 19.228 -15.042 2.028 1.00 0.00 H new ATOM 1224 N TYR A 80 21.330 -13.409 0.083 1.00 0.00 N ATOM 1225 CA TYR A 80 20.772 -13.525 -1.259 1.00 0.00 C ATOM 1226 C TYR A 80 20.263 -14.940 -1.516 1.00 0.00 C ATOM 1227 O TYR A 80 20.760 -15.906 -0.936 1.00 0.00 O ATOM 1228 CB TYR A 80 21.822 -13.150 -2.305 1.00 0.00 C ATOM 1229 CG TYR A 80 22.670 -11.961 -1.913 1.00 0.00 C ATOM 1230 CD1 TYR A 80 22.084 -10.774 -1.491 1.00 0.00 C ATOM 1231 CD2 TYR A 80 24.057 -12.024 -1.967 1.00 0.00 C ATOM 1232 CE1 TYR A 80 22.855 -9.685 -1.132 1.00 0.00 C ATOM 1233 CE2 TYR A 80 24.836 -10.941 -1.609 1.00 0.00 C ATOM 1234 CZ TYR A 80 24.230 -9.773 -1.192 1.00 0.00 C ATOM 1235 OH TYR A 80 25.002 -8.691 -0.836 1.00 0.00 O ATOM 0 H TYR A 80 22.075 -14.075 0.289 1.00 0.00 H new ATOM 0 HA TYR A 80 19.931 -12.836 -1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.472 -14.008 -2.479 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.321 -12.933 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 80 21.008 -10.701 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.534 -12.936 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 80 22.383 -8.770 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.913 -11.008 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 80 25.950 -8.919 -0.934 1.00 0.00 H new ATOM 1245 N ASP A 81 19.270 -15.054 -2.391 1.00 0.00 N ATOM 1246 CA ASP A 81 18.694 -16.351 -2.728 1.00 0.00 C ATOM 1247 C ASP A 81 18.354 -16.425 -4.213 1.00 0.00 C ATOM 1248 O ASP A 81 18.257 -15.401 -4.889 1.00 0.00 O ATOM 1249 CB ASP A 81 17.439 -16.609 -1.892 1.00 0.00 C ATOM 1250 CG ASP A 81 16.972 -18.048 -1.977 1.00 0.00 C ATOM 1251 OD1 ASP A 81 17.809 -18.955 -1.788 1.00 0.00 O ATOM 1252 OD2 ASP A 81 15.769 -18.268 -2.235 1.00 0.00 O ATOM 0 H ASP A 81 18.847 -14.265 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 81 19.435 -17.119 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.641 -16.357 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.639 -15.950 -2.230 1.00 0.00 H new ATOM 1257 N GLU A 82 18.175 -17.643 -4.715 1.00 0.00 N ATOM 1258 CA GLU A 82 17.848 -17.849 -6.121 1.00 0.00 C ATOM 1259 C GLU A 82 16.368 -18.178 -6.293 1.00 0.00 C ATOM 1260 O GLU A 82 15.989 -18.939 -7.182 1.00 0.00 O ATOM 1261 CB GLU A 82 18.703 -18.975 -6.706 1.00 0.00 C ATOM 1262 CG GLU A 82 18.468 -20.324 -6.048 1.00 0.00 C ATOM 1263 CD GLU A 82 18.902 -21.484 -6.922 1.00 0.00 C ATOM 1264 OE1 GLU A 82 18.756 -21.383 -8.158 1.00 0.00 O ATOM 1265 OE2 GLU A 82 19.389 -22.493 -6.369 1.00 0.00 O ATOM 0 H GLU A 82 18.251 -18.501 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 82 18.061 -16.924 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 82 18.496 -19.060 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 82 19.756 -18.710 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.011 -20.363 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.409 -20.429 -5.811 1.00 0.00 H new ATOM 1272 N GLY A 83 15.535 -17.599 -5.433 1.00 0.00 N ATOM 1273 CA GLY A 83 14.106 -17.842 -5.506 1.00 0.00 C ATOM 1274 C GLY A 83 13.533 -17.527 -6.873 1.00 0.00 C ATOM 1275 O GLY A 83 13.260 -18.431 -7.663 1.00 0.00 O ATOM 0 H GLY A 83 15.824 -16.966 -4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.905 -18.885 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.599 -17.237 -4.755 1.00 0.00 H new ATOM 1279 N PHE A 84 13.348 -16.241 -7.153 1.00 0.00 N ATOM 1280 CA PHE A 84 12.800 -15.809 -8.434 1.00 0.00 C ATOM 1281 C PHE A 84 13.603 -16.393 -9.593 1.00 0.00 C ATOM 1282 O PHE A 84 13.040 -16.968 -10.524 1.00 0.00 O ATOM 1283 CB PHE A 84 12.795 -14.281 -8.520 1.00 0.00 C ATOM 1284 CG PHE A 84 12.236 -13.613 -7.297 1.00 0.00 C ATOM 1285 CD1 PHE A 84 10.900 -13.761 -6.960 1.00 0.00 C ATOM 1286 CD2 PHE A 84 13.046 -12.839 -6.483 1.00 0.00 C ATOM 1287 CE1 PHE A 84 10.383 -13.147 -5.835 1.00 0.00 C ATOM 1288 CE2 PHE A 84 12.535 -12.222 -5.356 1.00 0.00 C ATOM 1289 CZ PHE A 84 11.202 -12.378 -5.031 1.00 0.00 C ATOM 0 H PHE A 84 13.569 -15.480 -6.511 1.00 0.00 H new ATOM 0 HA PHE A 84 11.775 -16.173 -8.505 1.00 0.00 H new ATOM 0 HB2 PHE A 84 13.815 -13.931 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 84 12.212 -13.976 -9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.256 -14.363 -7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 84 14.090 -12.716 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.339 -13.268 -5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.177 -11.619 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.800 -11.900 -4.150 1.00 0.00 H new ATOM 1299 N GLY A 85 14.922 -16.239 -9.529 1.00 0.00 N ATOM 1300 CA GLY A 85 15.781 -16.754 -10.579 1.00 0.00 C ATOM 1301 C GLY A 85 15.280 -18.069 -11.144 1.00 0.00 C ATOM 1302 O GLY A 85 14.885 -18.964 -10.396 1.00 0.00 O ATOM 0 H GLY A 85 15.411 -15.767 -8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.849 -16.020 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.788 -16.891 -10.186 1.00 0.00 H new ATOM 1306 N SER A 86 15.294 -18.186 -12.468 1.00 0.00 N ATOM 1307 CA SER A 86 14.833 -19.399 -13.133 1.00 0.00 C ATOM 1308 C SER A 86 15.494 -19.554 -14.500 1.00 0.00 C ATOM 1309 O SER A 86 15.985 -18.585 -15.078 1.00 0.00 O ATOM 1310 CB SER A 86 13.311 -19.373 -13.289 1.00 0.00 C ATOM 1311 OG SER A 86 12.925 -18.560 -14.384 1.00 0.00 O ATOM 0 H SER A 86 15.620 -17.456 -13.101 1.00 0.00 H new ATOM 0 HA SER A 86 15.113 -20.252 -12.515 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.940 -20.387 -13.436 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.855 -18.996 -12.374 1.00 0.00 H new ATOM 0 HG SER A 86 11.948 -18.561 -14.464 1.00 0.00 H new ATOM 1317 N GLY A 87 15.502 -20.781 -15.011 1.00 0.00 N ATOM 1318 CA GLY A 87 16.104 -21.042 -16.305 1.00 0.00 C ATOM 1319 C GLY A 87 15.738 -19.994 -17.337 1.00 0.00 C ATOM 1320 O GLY A 87 14.822 -19.194 -17.143 1.00 0.00 O ATOM 0 H GLY A 87 15.102 -21.599 -14.552 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.188 -21.078 -16.197 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.786 -22.023 -16.659 1.00 0.00 H new ATOM 1324 N PRO A 88 16.466 -19.987 -18.463 1.00 0.00 N ATOM 1325 CA PRO A 88 16.233 -19.033 -19.551 1.00 0.00 C ATOM 1326 C PRO A 88 14.922 -19.299 -20.284 1.00 0.00 C ATOM 1327 O PRO A 88 14.301 -20.346 -20.104 1.00 0.00 O ATOM 1328 CB PRO A 88 17.424 -19.261 -20.485 1.00 0.00 C ATOM 1329 CG PRO A 88 17.851 -20.663 -20.218 1.00 0.00 C ATOM 1330 CD PRO A 88 17.574 -20.910 -18.761 1.00 0.00 C ATOM 0 HA PRO A 88 16.151 -18.010 -19.185 1.00 0.00 H new ATOM 0 HB2 PRO A 88 17.140 -19.125 -21.529 1.00 0.00 H new ATOM 0 HB3 PRO A 88 18.229 -18.556 -20.279 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.300 -21.365 -20.844 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.909 -20.798 -20.442 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.294 -21.947 -18.575 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.448 -20.701 -18.145 1.00 0.00 H new ATOM 1338 N SER A 89 14.507 -18.344 -21.110 1.00 0.00 N ATOM 1339 CA SER A 89 13.268 -18.474 -21.868 1.00 0.00 C ATOM 1340 C SER A 89 13.507 -19.223 -23.176 1.00 0.00 C ATOM 1341 O SER A 89 14.086 -18.682 -24.117 1.00 0.00 O ATOM 1342 CB SER A 89 12.676 -17.094 -22.159 1.00 0.00 C ATOM 1343 OG SER A 89 12.531 -16.340 -20.968 1.00 0.00 O ATOM 0 H SER A 89 15.011 -17.472 -21.271 1.00 0.00 H new ATOM 0 HA SER A 89 12.561 -19.045 -21.266 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.320 -16.558 -22.856 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.706 -17.206 -22.643 1.00 0.00 H new ATOM 0 HG SER A 89 12.152 -15.462 -21.181 1.00 0.00 H new ATOM 1349 N SER A 90 13.057 -20.473 -23.225 1.00 0.00 N ATOM 1350 CA SER A 90 13.224 -21.299 -24.415 1.00 0.00 C ATOM 1351 C SER A 90 12.044 -21.127 -25.367 1.00 0.00 C ATOM 1352 O SER A 90 11.000 -20.598 -24.989 1.00 0.00 O ATOM 1353 CB SER A 90 13.368 -22.771 -24.024 1.00 0.00 C ATOM 1354 OG SER A 90 13.612 -23.580 -25.162 1.00 0.00 O ATOM 0 H SER A 90 12.574 -20.936 -22.455 1.00 0.00 H new ATOM 0 HA SER A 90 14.131 -20.976 -24.926 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.186 -22.883 -23.312 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.461 -23.108 -23.522 1.00 0.00 H new ATOM 0 HG SER A 90 13.702 -24.516 -24.885 1.00 0.00 H new ATOM 1360 N GLY A 91 12.220 -21.578 -26.605 1.00 0.00 N ATOM 1361 CA GLY A 91 11.163 -21.465 -27.593 1.00 0.00 C ATOM 1362 C GLY A 91 11.427 -22.308 -28.825 1.00 0.00 C ATOM 1363 O GLY A 91 12.374 -23.093 -28.821 1.00 0.00 O ATOM 0 H GLY A 91 13.076 -22.020 -26.941 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.217 -21.769 -27.145 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.055 -20.421 -27.887 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.591 2.655 -5.299 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 6.899 5.693 0.727 1.00 0.00 ZN