USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 711 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 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.086 (180deg=-0.086) USER MOD Single : A 2 SER OG : rot 180:sc= -0.675 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.758 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -8.25! C(o=-8.2!,f=-12!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0875 USER MOD Single : A 34 THR OG1 : rot 39:sc= 0.0757 USER MOD Single : A 36 SER OG : rot -5:sc= 1.17 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 38 MET CE :methyl 179:sc= -2.74 (180deg=-2.84) USER MOD Single : A 39 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.044) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 47 MET CE :methyl 160:sc= -0.149 (180deg=-0.703) USER MOD Single : A 55 GLN : amide:sc= -2.39 K(o=-2.4,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.0028) USER MOD Single : A 58 HIS : no HD1:sc= -2.1! K(o=-2.1!,f=-0.71) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -67:sc= 0.0589 USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.0376 (180deg=-0.265) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.422 (180deg=-0.902) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.13 K(o=-1.1,f=-3!) USER MOD Single : A 86 THR OG1 : rot -11:sc= 0.142 USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= -0.0263 (180deg=-0.24) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.842 20.511 11.162 1.00 0.00 N ATOM 2 CA GLY A 1 -31.443 20.327 12.470 1.00 0.00 C ATOM 3 C GLY A 1 -30.450 20.525 13.597 1.00 0.00 C ATOM 4 O GLY A 1 -30.778 20.318 14.766 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.562 20.365 10.426 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.461 21.476 11.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.072 19.824 11.034 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.268 21.029 12.589 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.866 19.324 12.534 1.00 0.00 H new ATOM 8 N SER A 2 -29.232 20.925 13.248 1.00 0.00 N ATOM 9 CA SER A 2 -28.185 21.145 14.239 1.00 0.00 C ATOM 10 C SER A 2 -27.111 22.081 13.696 1.00 0.00 C ATOM 11 O SER A 2 -26.246 21.670 12.923 1.00 0.00 O ATOM 12 CB SER A 2 -27.556 19.813 14.651 1.00 0.00 C ATOM 13 OG SER A 2 -28.516 18.770 14.639 1.00 0.00 O ATOM 0 H SER A 2 -28.945 21.104 12.286 1.00 0.00 H new ATOM 0 HA SER A 2 -28.639 21.610 15.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.739 19.568 13.972 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.125 19.904 15.648 1.00 0.00 H new ATOM 0 HG SER A 2 -28.089 17.929 14.904 1.00 0.00 H new ATOM 19 N SER A 3 -27.172 23.344 14.107 1.00 0.00 N ATOM 20 CA SER A 3 -26.208 24.342 13.660 1.00 0.00 C ATOM 21 C SER A 3 -25.621 25.100 14.846 1.00 0.00 C ATOM 22 O SER A 3 -26.077 24.952 15.979 1.00 0.00 O ATOM 23 CB SER A 3 -26.869 25.322 12.689 1.00 0.00 C ATOM 24 OG SER A 3 -27.578 24.634 11.673 1.00 0.00 O ATOM 0 H SER A 3 -27.880 23.700 14.749 1.00 0.00 H new ATOM 0 HA SER A 3 -25.398 23.824 13.146 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.551 25.975 13.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.109 25.960 12.238 1.00 0.00 H new ATOM 0 HG SER A 3 -27.993 25.283 11.067 1.00 0.00 H new ATOM 30 N GLY A 4 -24.605 25.915 14.576 1.00 0.00 N ATOM 31 CA GLY A 4 -23.972 26.685 15.630 1.00 0.00 C ATOM 32 C GLY A 4 -22.569 26.200 15.940 1.00 0.00 C ATOM 33 O GLY A 4 -21.690 26.232 15.079 1.00 0.00 O ATOM 0 H GLY A 4 -24.210 26.055 13.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.934 27.734 15.337 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.580 26.628 16.533 1.00 0.00 H new ATOM 37 N SER A 5 -22.358 25.752 17.173 1.00 0.00 N ATOM 38 CA SER A 5 -21.051 25.264 17.596 1.00 0.00 C ATOM 39 C SER A 5 -20.606 24.086 16.734 1.00 0.00 C ATOM 40 O SER A 5 -19.452 23.661 16.792 1.00 0.00 O ATOM 41 CB SER A 5 -21.090 24.847 19.068 1.00 0.00 C ATOM 42 OG SER A 5 -22.308 24.194 19.380 1.00 0.00 O ATOM 0 H SER A 5 -23.076 25.717 17.897 1.00 0.00 H new ATOM 0 HA SER A 5 -20.332 26.074 17.474 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.252 24.184 19.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.972 25.726 19.702 1.00 0.00 H new ATOM 0 HG SER A 5 -22.308 23.936 20.325 1.00 0.00 H new ATOM 48 N SER A 6 -21.530 23.564 15.935 1.00 0.00 N ATOM 49 CA SER A 6 -21.236 22.433 15.063 1.00 0.00 C ATOM 50 C SER A 6 -20.147 22.792 14.056 1.00 0.00 C ATOM 51 O SER A 6 -20.181 23.856 13.440 1.00 0.00 O ATOM 52 CB SER A 6 -22.500 21.987 14.325 1.00 0.00 C ATOM 53 OG SER A 6 -22.340 20.690 13.777 1.00 0.00 O ATOM 0 H SER A 6 -22.489 23.906 15.873 1.00 0.00 H new ATOM 0 HA SER A 6 -20.878 21.612 15.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.347 21.993 15.011 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.729 22.696 13.529 1.00 0.00 H new ATOM 0 HG SER A 6 -23.162 20.428 13.312 1.00 0.00 H new ATOM 59 N GLY A 7 -19.179 21.894 13.896 1.00 0.00 N ATOM 60 CA GLY A 7 -18.092 22.133 12.964 1.00 0.00 C ATOM 61 C GLY A 7 -18.483 21.838 11.529 1.00 0.00 C ATOM 62 O GLY A 7 -19.637 21.515 11.248 1.00 0.00 O ATOM 0 H GLY A 7 -19.128 21.006 14.395 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.771 23.172 13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.238 21.514 13.239 1.00 0.00 H new ATOM 66 N GLN A 8 -17.520 21.952 10.620 1.00 0.00 N ATOM 67 CA GLN A 8 -17.772 21.697 9.206 1.00 0.00 C ATOM 68 C GLN A 8 -18.290 20.279 8.993 1.00 0.00 C ATOM 69 O GLN A 8 -17.947 19.350 9.724 1.00 0.00 O ATOM 70 CB GLN A 8 -16.495 21.914 8.393 1.00 0.00 C ATOM 71 CG GLN A 8 -15.258 21.296 9.025 1.00 0.00 C ATOM 72 CD GLN A 8 -14.209 22.329 9.387 1.00 0.00 C ATOM 73 OE1 GLN A 8 -14.262 22.935 10.457 1.00 0.00 O ATOM 74 NE2 GLN A 8 -13.248 22.535 8.494 1.00 0.00 N ATOM 0 H GLN A 8 -16.560 22.219 10.837 1.00 0.00 H new ATOM 0 HA GLN A 8 -18.535 22.397 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -16.633 21.493 7.397 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.332 22.984 8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.548 20.749 9.922 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.826 20.571 8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.243 22.010 7.620 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.515 23.218 8.683 1.00 0.00 H new ATOM 83 N PRO A 9 -19.136 20.106 7.966 1.00 0.00 N ATOM 84 CA PRO A 9 -19.720 18.803 7.632 1.00 0.00 C ATOM 85 C PRO A 9 -18.687 17.832 7.072 1.00 0.00 C ATOM 86 O PRO A 9 -17.766 18.233 6.359 1.00 0.00 O ATOM 87 CB PRO A 9 -20.765 19.145 6.568 1.00 0.00 C ATOM 88 CG PRO A 9 -20.278 20.412 5.952 1.00 0.00 C ATOM 89 CD PRO A 9 -19.588 21.169 7.053 1.00 0.00 C ATOM 0 HA PRO A 9 -20.133 18.304 8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -20.849 18.351 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -21.753 19.274 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -19.592 20.208 5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -21.106 20.989 5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -18.751 21.756 6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -20.266 21.864 7.549 1.00 0.00 H new ATOM 97 N ILE A 10 -18.845 16.554 7.398 1.00 0.00 N ATOM 98 CA ILE A 10 -17.927 15.525 6.925 1.00 0.00 C ATOM 99 C ILE A 10 -17.657 15.674 5.431 1.00 0.00 C ATOM 100 O ILE A 10 -18.449 16.273 4.703 1.00 0.00 O ATOM 101 CB ILE A 10 -18.475 14.112 7.198 1.00 0.00 C ATOM 102 CG1 ILE A 10 -17.485 13.313 8.048 1.00 0.00 C ATOM 103 CG2 ILE A 10 -18.759 13.392 5.888 1.00 0.00 C ATOM 104 CD1 ILE A 10 -17.557 11.820 7.817 1.00 0.00 C ATOM 0 H ILE A 10 -19.601 16.206 7.988 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.995 15.656 7.475 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.410 14.201 7.751 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -16.473 13.657 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.674 13.519 9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.146 12.395 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -19.497 13.955 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.838 13.310 5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.828 11.318 8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.557 11.462 8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -17.338 11.603 6.772 1.00 0.00 H new ATOM 116 N LYS A 11 -16.535 15.124 4.981 1.00 0.00 N ATOM 117 CA LYS A 11 -16.161 15.191 3.573 1.00 0.00 C ATOM 118 C LYS A 11 -15.952 13.794 2.998 1.00 0.00 C ATOM 119 O LYS A 11 -16.119 12.795 3.697 1.00 0.00 O ATOM 120 CB LYS A 11 -14.886 16.020 3.402 1.00 0.00 C ATOM 121 CG LYS A 11 -15.146 17.508 3.239 1.00 0.00 C ATOM 122 CD LYS A 11 -15.265 17.896 1.775 1.00 0.00 C ATOM 123 CE LYS A 11 -14.456 19.145 1.462 1.00 0.00 C ATOM 124 NZ LYS A 11 -15.125 19.998 0.441 1.00 0.00 N ATOM 0 H LYS A 11 -15.868 14.626 5.571 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.975 15.670 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.243 15.865 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.341 15.657 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.063 17.778 3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.336 18.073 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.921 17.072 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.312 18.068 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.309 19.721 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.468 18.857 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.542 20.839 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.243 19.457 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.058 20.294 0.793 1.00 0.00 H new ATOM 138 N GLN A 12 -15.583 13.733 1.723 1.00 0.00 N ATOM 139 CA GLN A 12 -15.350 12.457 1.056 1.00 0.00 C ATOM 140 C GLN A 12 -14.354 11.608 1.837 1.00 0.00 C ATOM 141 O GLN A 12 -13.852 12.026 2.880 1.00 0.00 O ATOM 142 CB GLN A 12 -14.837 12.688 -0.367 1.00 0.00 C ATOM 143 CG GLN A 12 -13.531 13.465 -0.424 1.00 0.00 C ATOM 144 CD GLN A 12 -13.324 14.161 -1.754 1.00 0.00 C ATOM 145 OE1 GLN A 12 -13.066 13.517 -2.771 1.00 0.00 O ATOM 146 NE2 GLN A 12 -13.437 15.484 -1.754 1.00 0.00 N ATOM 0 H GLN A 12 -15.439 14.551 1.131 1.00 0.00 H new ATOM 0 HA GLN A 12 -16.298 11.921 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.698 11.723 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.596 13.226 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.518 14.206 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.699 12.784 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.652 15.977 -0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.309 16.007 -2.620 1.00 0.00 H new ATOM 155 N GLU A 13 -14.072 10.413 1.326 1.00 0.00 N ATOM 156 CA GLU A 13 -13.136 9.505 1.978 1.00 0.00 C ATOM 157 C GLU A 13 -12.289 8.765 0.947 1.00 0.00 C ATOM 158 O GLU A 13 -12.362 9.045 -0.250 1.00 0.00 O ATOM 159 CB GLU A 13 -13.890 8.501 2.852 1.00 0.00 C ATOM 160 CG GLU A 13 -14.269 9.046 4.218 1.00 0.00 C ATOM 161 CD GLU A 13 -13.895 8.104 5.346 1.00 0.00 C ATOM 162 OE1 GLU A 13 -14.538 7.040 5.469 1.00 0.00 O ATOM 163 OE2 GLU A 13 -12.960 8.431 6.107 1.00 0.00 O ATOM 0 H GLU A 13 -14.478 10.052 0.463 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.473 10.098 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.795 8.187 2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.273 7.612 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.775 10.005 4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.343 9.232 4.246 1.00 0.00 H new ATOM 170 N LEU A 14 -11.486 7.818 1.421 1.00 0.00 N ATOM 171 CA LEU A 14 -10.624 7.036 0.541 1.00 0.00 C ATOM 172 C LEU A 14 -11.028 5.566 0.549 1.00 0.00 C ATOM 173 O LEU A 14 -12.202 5.235 0.715 1.00 0.00 O ATOM 174 CB LEU A 14 -9.162 7.177 0.970 1.00 0.00 C ATOM 175 CG LEU A 14 -8.699 8.592 1.320 1.00 0.00 C ATOM 176 CD1 LEU A 14 -8.162 8.642 2.742 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.643 9.067 0.332 1.00 0.00 C ATOM 0 H LEU A 14 -11.414 7.573 2.409 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.738 7.420 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.995 6.537 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.530 6.798 0.167 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.557 9.261 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.837 9.657 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.947 8.345 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.317 7.960 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.325 10.076 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.785 8.396 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.062 9.071 -0.674 1.00 0.00 H new ATOM 189 N SER A 15 -10.047 4.686 0.371 1.00 0.00 N ATOM 190 CA SER A 15 -10.301 3.251 0.356 1.00 0.00 C ATOM 191 C SER A 15 -9.007 2.473 0.136 1.00 0.00 C ATOM 192 O SER A 15 -7.987 3.040 -0.256 1.00 0.00 O ATOM 193 CB SER A 15 -11.312 2.901 -0.738 1.00 0.00 C ATOM 194 OG SER A 15 -11.526 4.002 -1.605 1.00 0.00 O ATOM 0 H SER A 15 -9.069 4.943 0.235 1.00 0.00 H new ATOM 0 HA SER A 15 -10.714 2.970 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.951 2.047 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.257 2.603 -0.283 1.00 0.00 H new ATOM 0 HG SER A 15 -12.175 3.753 -2.296 1.00 0.00 H new ATOM 200 N CYS A 16 -9.057 1.169 0.390 1.00 0.00 N ATOM 201 CA CYS A 16 -7.891 0.311 0.222 1.00 0.00 C ATOM 202 C CYS A 16 -8.235 -0.916 -0.617 1.00 0.00 C ATOM 203 O CYS A 16 -8.704 -1.928 -0.095 1.00 0.00 O ATOM 204 CB CYS A 16 -7.350 -0.125 1.585 1.00 0.00 C ATOM 205 SG CYS A 16 -6.207 -1.541 1.513 1.00 0.00 S ATOM 0 H CYS A 16 -9.894 0.684 0.713 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.123 0.883 -0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.838 0.719 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.189 -0.382 2.232 1.00 0.00 H new ATOM 210 N LYS A 17 -7.999 -0.820 -1.921 1.00 0.00 N ATOM 211 CA LYS A 17 -8.283 -1.921 -2.834 1.00 0.00 C ATOM 212 C LYS A 17 -7.161 -2.955 -2.804 1.00 0.00 C ATOM 213 O LYS A 17 -6.578 -3.282 -3.837 1.00 0.00 O ATOM 214 CB LYS A 17 -8.467 -1.395 -4.259 1.00 0.00 C ATOM 215 CG LYS A 17 -9.618 -0.414 -4.401 1.00 0.00 C ATOM 216 CD LYS A 17 -10.963 -1.113 -4.294 1.00 0.00 C ATOM 217 CE LYS A 17 -12.106 -0.183 -4.668 1.00 0.00 C ATOM 218 NZ LYS A 17 -12.338 0.857 -3.628 1.00 0.00 N ATOM 0 H LYS A 17 -7.611 0.010 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.206 -2.401 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.545 -0.910 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.634 -2.238 -4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.542 0.351 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.547 0.095 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.974 -1.985 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.106 -1.475 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.885 0.299 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.017 -0.765 -4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.125 1.471 -3.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.574 0.398 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.478 1.429 -3.511 1.00 0.00 H new ATOM 232 N TRP A 18 -6.867 -3.466 -1.614 1.00 0.00 N ATOM 233 CA TRP A 18 -5.816 -4.464 -1.450 1.00 0.00 C ATOM 234 C TRP A 18 -6.395 -5.875 -1.485 1.00 0.00 C ATOM 235 O TRP A 18 -6.922 -6.364 -0.486 1.00 0.00 O ATOM 236 CB TRP A 18 -5.071 -4.239 -0.134 1.00 0.00 C ATOM 237 CG TRP A 18 -3.885 -5.139 0.039 1.00 0.00 C ATOM 238 CD1 TRP A 18 -3.895 -6.433 0.474 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.515 -4.810 -0.218 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.614 -6.929 0.503 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.749 -5.954 0.082 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.861 -3.663 -0.675 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.364 -5.980 -0.059 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.487 -3.690 -0.814 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.250 -4.842 -0.508 1.00 0.00 C ATOM 0 H TRP A 18 -7.341 -3.206 -0.749 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.116 -4.357 -2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.741 -3.201 -0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.760 -4.394 0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.780 -6.986 0.754 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.350 -7.871 0.791 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.420 -2.771 -0.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.206 -6.867 0.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.028 -2.808 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.323 -4.832 -0.629 1.00 0.00 H new ATOM 256 N ILE A 19 -6.293 -6.523 -2.641 1.00 0.00 N ATOM 257 CA ILE A 19 -6.805 -7.877 -2.804 1.00 0.00 C ATOM 258 C ILE A 19 -5.719 -8.912 -2.535 1.00 0.00 C ATOM 259 O ILE A 19 -4.997 -9.321 -3.444 1.00 0.00 O ATOM 260 CB ILE A 19 -7.370 -8.099 -4.220 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.456 -7.066 -4.527 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.920 -9.510 -4.356 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.234 -6.324 -5.827 1.00 0.00 C ATOM 0 H ILE A 19 -5.860 -6.132 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.608 -7.999 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.562 -7.974 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.423 -7.568 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.502 -6.346 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.315 -9.651 -5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.122 -10.230 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.717 -9.661 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.042 -5.608 -5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.283 -5.794 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.218 -7.035 -6.653 1.00 0.00 H new ATOM 275 N ASP A 20 -5.609 -9.334 -1.280 1.00 0.00 N ATOM 276 CA ASP A 20 -4.612 -10.324 -0.890 1.00 0.00 C ATOM 277 C ASP A 20 -4.992 -11.709 -1.404 1.00 0.00 C ATOM 278 O ASP A 20 -5.883 -11.847 -2.242 1.00 0.00 O ATOM 279 CB ASP A 20 -4.461 -10.356 0.632 1.00 0.00 C ATOM 280 CG ASP A 20 -3.041 -10.660 1.066 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.688 -11.855 1.144 1.00 0.00 O ATOM 282 OD2 ASP A 20 -2.283 -9.703 1.330 1.00 0.00 O ATOM 0 H ASP A 20 -6.198 -9.006 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.659 -10.039 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.766 -9.394 1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.133 -11.108 1.045 1.00 0.00 H new ATOM 287 N GLU A 21 -4.309 -12.731 -0.898 1.00 0.00 N ATOM 288 CA GLU A 21 -4.575 -14.105 -1.308 1.00 0.00 C ATOM 289 C GLU A 21 -5.004 -14.956 -0.116 1.00 0.00 C ATOM 290 O GLU A 21 -5.960 -15.726 -0.202 1.00 0.00 O ATOM 291 CB GLU A 21 -3.333 -14.714 -1.963 1.00 0.00 C ATOM 292 CG GLU A 21 -3.104 -16.170 -1.596 1.00 0.00 C ATOM 293 CD GLU A 21 -2.553 -16.339 -0.194 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.939 -15.382 0.322 1.00 0.00 O ATOM 295 OE2 GLU A 21 -2.736 -17.429 0.388 1.00 0.00 O ATOM 0 H GLU A 21 -3.568 -12.634 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.389 -14.090 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.426 -14.631 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.458 -14.133 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.045 -16.714 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.412 -16.616 -2.310 1.00 0.00 H new ATOM 302 N ALA A 22 -4.289 -14.811 0.994 1.00 0.00 N ATOM 303 CA ALA A 22 -4.595 -15.564 2.204 1.00 0.00 C ATOM 304 C ALA A 22 -5.706 -14.891 3.003 1.00 0.00 C ATOM 305 O ALA A 22 -5.693 -14.906 4.233 1.00 0.00 O ATOM 306 CB ALA A 22 -3.347 -15.720 3.060 1.00 0.00 C ATOM 0 H ALA A 22 -3.493 -14.179 1.081 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.944 -16.553 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.591 -16.284 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.582 -16.252 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.972 -14.735 3.340 1.00 0.00 H new ATOM 312 N GLN A 23 -6.665 -14.302 2.295 1.00 0.00 N ATOM 313 CA GLN A 23 -7.782 -13.623 2.940 1.00 0.00 C ATOM 314 C GLN A 23 -8.699 -14.623 3.636 1.00 0.00 C ATOM 315 O GLN A 23 -9.672 -14.240 4.287 1.00 0.00 O ATOM 316 CB GLN A 23 -8.576 -12.814 1.913 1.00 0.00 C ATOM 317 CG GLN A 23 -8.953 -13.609 0.673 1.00 0.00 C ATOM 318 CD GLN A 23 -8.163 -13.191 -0.551 1.00 0.00 C ATOM 319 OE1 GLN A 23 -7.363 -13.964 -1.081 1.00 0.00 O ATOM 320 NE2 GLN A 23 -8.382 -11.964 -1.008 1.00 0.00 N ATOM 0 H GLN A 23 -6.690 -14.282 1.276 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.377 -12.945 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.484 -12.437 2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.989 -11.946 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.788 -14.670 0.862 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.017 -13.482 0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.054 -11.357 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.879 -11.628 -1.829 1.00 0.00 H new ATOM 329 N LEU A 24 -8.383 -15.906 3.495 1.00 0.00 N ATOM 330 CA LEU A 24 -9.179 -16.962 4.110 1.00 0.00 C ATOM 331 C LEU A 24 -10.437 -17.242 3.294 1.00 0.00 C ATOM 332 O LEU A 24 -10.787 -18.396 3.051 1.00 0.00 O ATOM 333 CB LEU A 24 -9.560 -16.573 5.540 1.00 0.00 C ATOM 334 CG LEU A 24 -9.418 -17.671 6.594 1.00 0.00 C ATOM 335 CD1 LEU A 24 -9.212 -17.063 7.973 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.638 -18.580 6.587 1.00 0.00 C ATOM 0 H LEU A 24 -7.581 -16.240 2.960 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.576 -17.870 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.944 -15.726 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.595 -16.230 5.539 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.542 -18.272 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.113 -17.859 8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.307 -16.455 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.068 -16.438 8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.518 -19.355 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.530 -17.993 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.741 -19.044 5.606 1.00 0.00 H new ATOM 348 N SER A 25 -11.111 -16.177 2.872 1.00 0.00 N ATOM 349 CA SER A 25 -12.331 -16.307 2.084 1.00 0.00 C ATOM 350 C SER A 25 -12.049 -16.074 0.603 1.00 0.00 C ATOM 351 O SER A 25 -11.069 -15.422 0.242 1.00 0.00 O ATOM 352 CB SER A 25 -13.389 -15.318 2.576 1.00 0.00 C ATOM 353 OG SER A 25 -14.671 -15.920 2.616 1.00 0.00 O ATOM 0 H SER A 25 -10.833 -15.214 3.063 1.00 0.00 H new ATOM 0 HA SER A 25 -12.708 -17.322 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.121 -14.959 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.412 -14.449 1.919 1.00 0.00 H new ATOM 0 HG SER A 25 -15.329 -15.268 2.935 1.00 0.00 H new ATOM 359 N ARG A 26 -12.916 -16.610 -0.249 1.00 0.00 N ATOM 360 CA ARG A 26 -12.761 -16.462 -1.691 1.00 0.00 C ATOM 361 C ARG A 26 -14.108 -16.203 -2.360 1.00 0.00 C ATOM 362 O ARG A 26 -15.169 -16.475 -1.798 1.00 0.00 O ATOM 363 CB ARG A 26 -12.115 -17.714 -2.288 1.00 0.00 C ATOM 364 CG ARG A 26 -10.600 -17.635 -2.376 1.00 0.00 C ATOM 365 CD ARG A 26 -10.131 -17.527 -3.818 1.00 0.00 C ATOM 366 NE ARG A 26 -8.896 -18.272 -4.049 1.00 0.00 N ATOM 367 CZ ARG A 26 -8.810 -19.595 -3.972 1.00 0.00 C ATOM 368 NH1 ARG A 26 -9.882 -20.316 -3.671 1.00 0.00 N ATOM 369 NH2 ARG A 26 -7.651 -20.201 -4.196 1.00 0.00 N ATOM 0 H ARG A 26 -13.733 -17.151 0.034 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.113 -15.605 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.391 -18.578 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.520 -17.881 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.246 -16.772 -1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.161 -18.520 -1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.910 -17.902 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.974 -16.478 -4.071 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.053 -17.747 -4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.775 -19.854 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.813 -21.332 -3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.824 -19.651 -4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.587 -21.217 -4.136 1.00 0.00 H new ATOM 383 N PRO A 27 -14.066 -15.665 -3.588 1.00 0.00 N ATOM 384 CA PRO A 27 -12.808 -15.337 -4.266 1.00 0.00 C ATOM 385 C PRO A 27 -12.091 -14.157 -3.618 1.00 0.00 C ATOM 386 O PRO A 27 -12.696 -13.377 -2.882 1.00 0.00 O ATOM 387 CB PRO A 27 -13.254 -14.977 -5.685 1.00 0.00 C ATOM 388 CG PRO A 27 -14.666 -14.524 -5.536 1.00 0.00 C ATOM 389 CD PRO A 27 -15.243 -15.335 -4.408 1.00 0.00 C ATOM 0 HA PRO A 27 -12.095 -16.161 -4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.629 -14.191 -6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.182 -15.836 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.713 -13.458 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.226 -14.683 -6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.981 -14.767 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.743 -16.232 -4.773 1.00 0.00 H new ATOM 397 N LYS A 28 -10.798 -14.032 -3.895 1.00 0.00 N ATOM 398 CA LYS A 28 -9.997 -12.947 -3.341 1.00 0.00 C ATOM 399 C LYS A 28 -10.826 -11.674 -3.204 1.00 0.00 C ATOM 400 O LYS A 28 -10.935 -10.887 -4.145 1.00 0.00 O ATOM 401 CB LYS A 28 -8.778 -12.681 -4.228 1.00 0.00 C ATOM 402 CG LYS A 28 -7.821 -13.857 -4.314 1.00 0.00 C ATOM 403 CD LYS A 28 -6.706 -13.597 -5.313 1.00 0.00 C ATOM 404 CE LYS A 28 -6.895 -14.409 -6.585 1.00 0.00 C ATOM 405 NZ LYS A 28 -7.571 -13.619 -7.651 1.00 0.00 N ATOM 0 H LYS A 28 -10.282 -14.670 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.659 -13.248 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.118 -12.426 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.241 -11.814 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.392 -14.051 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.369 -14.753 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.677 -12.536 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.746 -13.846 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.925 -14.750 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.484 -15.299 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.682 -14.207 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.507 -13.315 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.997 -12.783 -7.880 1.00 0.00 H new ATOM 419 N LYS A 29 -11.409 -11.477 -2.027 1.00 0.00 N ATOM 420 CA LYS A 29 -12.227 -10.299 -1.764 1.00 0.00 C ATOM 421 C LYS A 29 -11.354 -9.061 -1.582 1.00 0.00 C ATOM 422 O LYS A 29 -10.169 -9.166 -1.266 1.00 0.00 O ATOM 423 CB LYS A 29 -13.087 -10.517 -0.518 1.00 0.00 C ATOM 424 CG LYS A 29 -13.661 -11.919 -0.413 1.00 0.00 C ATOM 425 CD LYS A 29 -14.543 -12.070 0.815 1.00 0.00 C ATOM 426 CE LYS A 29 -15.910 -11.437 0.601 1.00 0.00 C ATOM 427 NZ LYS A 29 -16.450 -10.847 1.857 1.00 0.00 N ATOM 0 H LYS A 29 -11.330 -12.119 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.878 -10.140 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.486 -10.312 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.906 -9.798 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.241 -12.144 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.848 -12.644 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.663 -13.128 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.056 -11.606 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.836 -10.662 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.604 -12.189 0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.382 -10.426 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.545 -11.591 2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.801 -10.111 2.202 1.00 0.00 H new ATOM 441 N SER A 30 -11.948 -7.889 -1.783 1.00 0.00 N ATOM 442 CA SER A 30 -11.224 -6.631 -1.644 1.00 0.00 C ATOM 443 C SER A 30 -11.211 -6.170 -0.189 1.00 0.00 C ATOM 444 O SER A 30 -12.254 -6.102 0.462 1.00 0.00 O ATOM 445 CB SER A 30 -11.856 -5.553 -2.526 1.00 0.00 C ATOM 446 OG SER A 30 -13.220 -5.840 -2.784 1.00 0.00 O ATOM 0 H SER A 30 -12.929 -7.785 -2.043 1.00 0.00 H new ATOM 0 HA SER A 30 -10.195 -6.795 -1.965 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.772 -4.583 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.311 -5.484 -3.468 1.00 0.00 H new ATOM 0 HG SER A 30 -13.602 -5.135 -3.348 1.00 0.00 H new ATOM 452 N CYS A 31 -10.023 -5.854 0.314 1.00 0.00 N ATOM 453 CA CYS A 31 -9.871 -5.400 1.691 1.00 0.00 C ATOM 454 C CYS A 31 -11.076 -4.570 2.126 1.00 0.00 C ATOM 455 O CYS A 31 -11.472 -4.596 3.291 1.00 0.00 O ATOM 456 CB CYS A 31 -8.591 -4.576 1.840 1.00 0.00 C ATOM 457 SG CYS A 31 -8.266 -4.008 3.541 1.00 0.00 S ATOM 0 H CYS A 31 -9.150 -5.904 -0.212 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.806 -6.279 2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.745 -5.174 1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.652 -3.708 1.184 1.00 0.00 H new ATOM 462 N ASP A 32 -11.654 -3.837 1.181 1.00 0.00 N ATOM 463 CA ASP A 32 -12.815 -3.001 1.466 1.00 0.00 C ATOM 464 C ASP A 32 -12.608 -2.202 2.748 1.00 0.00 C ATOM 465 O ASP A 32 -12.992 -2.640 3.833 1.00 0.00 O ATOM 466 CB ASP A 32 -14.074 -3.862 1.584 1.00 0.00 C ATOM 467 CG ASP A 32 -15.308 -3.158 1.055 1.00 0.00 C ATOM 468 OD1 ASP A 32 -15.559 -3.238 -0.166 1.00 0.00 O ATOM 469 OD2 ASP A 32 -16.023 -2.529 1.862 1.00 0.00 O ATOM 0 H ASP A 32 -11.338 -3.804 0.212 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.939 -2.301 0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.927 -4.793 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.231 -4.129 2.629 1.00 0.00 H new ATOM 474 N ARG A 33 -11.998 -1.028 2.616 1.00 0.00 N ATOM 475 CA ARG A 33 -11.738 -0.169 3.765 1.00 0.00 C ATOM 476 C ARG A 33 -12.044 1.289 3.434 1.00 0.00 C ATOM 477 O ARG A 33 -12.234 1.647 2.271 1.00 0.00 O ATOM 478 CB ARG A 33 -10.281 -0.307 4.212 1.00 0.00 C ATOM 479 CG ARG A 33 -10.105 -0.307 5.722 1.00 0.00 C ATOM 480 CD ARG A 33 -10.643 -1.585 6.346 1.00 0.00 C ATOM 481 NE ARG A 33 -10.409 -1.632 7.786 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.065 -2.441 8.612 1.00 0.00 C ATOM 483 NH1 ARG A 33 -11.990 -3.266 8.141 1.00 0.00 N ATOM 484 NH2 ARG A 33 -10.795 -2.425 9.911 1.00 0.00 N ATOM 0 H ARG A 33 -11.675 -0.650 1.725 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.392 -0.484 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.872 -1.232 3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.700 0.512 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.048 -0.199 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.621 0.553 6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.712 -1.662 6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.170 -2.446 5.874 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.703 -1.010 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.200 -3.281 7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.492 -3.886 8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.084 -1.792 10.276 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.299 -3.046 10.544 1.00 0.00 H new ATOM 498 N THR A 34 -12.091 2.127 4.465 1.00 0.00 N ATOM 499 CA THR A 34 -12.376 3.545 4.285 1.00 0.00 C ATOM 500 C THR A 34 -11.610 4.392 5.294 1.00 0.00 C ATOM 501 O THR A 34 -11.721 4.188 6.503 1.00 0.00 O ATOM 502 CB THR A 34 -13.882 3.837 4.424 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.404 3.178 5.583 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.640 3.377 3.188 1.00 0.00 C ATOM 0 H THR A 34 -11.935 1.848 5.434 1.00 0.00 H new ATOM 0 HA THR A 34 -12.054 3.807 3.277 1.00 0.00 H new ATOM 0 HB THR A 34 -14.012 4.914 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.750 3.229 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.701 3.594 3.310 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.261 3.903 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.502 2.304 3.055 1.00 0.00 H new ATOM 512 N PHE A 35 -10.831 5.344 4.790 1.00 0.00 N ATOM 513 CA PHE A 35 -10.045 6.223 5.648 1.00 0.00 C ATOM 514 C PHE A 35 -10.448 7.681 5.448 1.00 0.00 C ATOM 515 O PHE A 35 -11.088 8.029 4.455 1.00 0.00 O ATOM 516 CB PHE A 35 -8.553 6.050 5.360 1.00 0.00 C ATOM 517 CG PHE A 35 -8.137 4.617 5.188 1.00 0.00 C ATOM 518 CD1 PHE A 35 -8.415 3.938 4.013 1.00 0.00 C ATOM 519 CD2 PHE A 35 -7.469 3.949 6.202 1.00 0.00 C ATOM 520 CE1 PHE A 35 -8.034 2.619 3.851 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.086 2.630 6.045 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.369 1.964 4.869 1.00 0.00 C ATOM 0 H PHE A 35 -10.727 5.526 3.792 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.242 5.949 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.299 6.604 4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.980 6.491 6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.936 4.445 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.245 4.464 7.124 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.256 2.101 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.565 2.120 6.842 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.071 0.933 4.746 1.00 0.00 H new ATOM 532 N SER A 36 -10.068 8.530 6.398 1.00 0.00 N ATOM 533 CA SER A 36 -10.393 9.950 6.329 1.00 0.00 C ATOM 534 C SER A 36 -9.180 10.763 5.890 1.00 0.00 C ATOM 535 O SER A 36 -9.316 11.844 5.316 1.00 0.00 O ATOM 536 CB SER A 36 -10.891 10.447 7.687 1.00 0.00 C ATOM 537 OG SER A 36 -12.235 10.059 7.911 1.00 0.00 O ATOM 0 H SER A 36 -9.535 8.259 7.224 1.00 0.00 H new ATOM 0 HA SER A 36 -11.184 10.082 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.257 10.047 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.811 11.533 7.732 1.00 0.00 H new ATOM 0 HG SER A 36 -12.586 9.618 7.109 1.00 0.00 H new ATOM 543 N THR A 37 -7.990 10.236 6.164 1.00 0.00 N ATOM 544 CA THR A 37 -6.752 10.913 5.800 1.00 0.00 C ATOM 545 C THR A 37 -5.885 10.030 4.909 1.00 0.00 C ATOM 546 O THR A 37 -5.686 8.850 5.194 1.00 0.00 O ATOM 547 CB THR A 37 -5.943 11.315 7.047 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.993 10.267 8.022 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.484 12.602 7.651 1.00 0.00 C ATOM 0 H THR A 37 -7.858 9.342 6.637 1.00 0.00 H new ATOM 0 HA THR A 37 -7.033 11.813 5.253 1.00 0.00 H new ATOM 0 HB THR A 37 -4.909 11.481 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.475 10.529 8.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.897 12.866 8.531 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.418 13.405 6.916 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.525 12.459 7.940 1.00 0.00 H new ATOM 557 N MET A 38 -5.372 10.610 3.829 1.00 0.00 N ATOM 558 CA MET A 38 -4.524 9.876 2.897 1.00 0.00 C ATOM 559 C MET A 38 -3.381 9.183 3.632 1.00 0.00 C ATOM 560 O MET A 38 -2.849 8.176 3.164 1.00 0.00 O ATOM 561 CB MET A 38 -3.963 10.820 1.831 1.00 0.00 C ATOM 562 CG MET A 38 -3.601 10.121 0.531 1.00 0.00 C ATOM 563 SD MET A 38 -4.954 10.129 -0.662 1.00 0.00 S ATOM 564 CE MET A 38 -4.805 8.483 -1.352 1.00 0.00 C ATOM 0 H MET A 38 -5.529 11.586 3.578 1.00 0.00 H new ATOM 0 HA MET A 38 -5.135 9.115 2.412 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.698 11.598 1.623 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.077 11.316 2.227 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.731 10.608 0.091 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.316 9.091 0.744 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.587 8.328 -2.096 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.829 8.373 -1.824 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.909 7.744 -0.557 1.00 0.00 H new ATOM 574 N HIS A 39 -3.008 9.729 4.785 1.00 0.00 N ATOM 575 CA HIS A 39 -1.928 9.163 5.585 1.00 0.00 C ATOM 576 C HIS A 39 -2.275 7.751 6.045 1.00 0.00 C ATOM 577 O HIS A 39 -1.507 6.813 5.835 1.00 0.00 O ATOM 578 CB HIS A 39 -1.642 10.051 6.796 1.00 0.00 C ATOM 579 CG HIS A 39 -0.184 10.313 7.016 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.288 11.406 7.712 1.00 0.00 N ATOM 581 CD2 HIS A 39 0.910 9.616 6.628 1.00 0.00 C ATOM 582 CE1 HIS A 39 1.608 11.370 7.742 1.00 0.00 C ATOM 583 NE2 HIS A 39 2.010 10.293 7.091 1.00 0.00 N ATOM 0 H HIS A 39 -3.438 10.563 5.186 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.035 9.114 4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.158 11.002 6.669 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.057 9.580 7.687 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.916 8.698 6.060 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.249 12.097 8.218 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.981 10.011 6.955 1.00 0.00 H new ATOM 591 N GLU A 40 -3.438 7.608 6.675 1.00 0.00 N ATOM 592 CA GLU A 40 -3.885 6.310 7.166 1.00 0.00 C ATOM 593 C GLU A 40 -3.704 5.233 6.100 1.00 0.00 C ATOM 594 O GLU A 40 -3.017 4.235 6.320 1.00 0.00 O ATOM 595 CB GLU A 40 -5.353 6.380 7.593 1.00 0.00 C ATOM 596 CG GLU A 40 -5.633 7.445 8.639 1.00 0.00 C ATOM 597 CD GLU A 40 -5.738 6.873 10.040 1.00 0.00 C ATOM 598 OE1 GLU A 40 -4.824 6.126 10.446 1.00 0.00 O ATOM 599 OE2 GLU A 40 -6.734 7.174 10.730 1.00 0.00 O ATOM 0 H GLU A 40 -4.086 8.374 6.857 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.275 6.047 8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.969 6.574 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.655 5.409 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.839 8.191 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.561 7.959 8.390 1.00 0.00 H new ATOM 606 N LEU A 41 -4.326 5.442 4.945 1.00 0.00 N ATOM 607 CA LEU A 41 -4.235 4.489 3.844 1.00 0.00 C ATOM 608 C LEU A 41 -2.797 4.022 3.646 1.00 0.00 C ATOM 609 O LEU A 41 -2.516 2.823 3.649 1.00 0.00 O ATOM 610 CB LEU A 41 -4.762 5.120 2.554 1.00 0.00 C ATOM 611 CG LEU A 41 -4.816 4.202 1.332 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.349 2.831 1.717 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.672 4.821 0.237 1.00 0.00 C ATOM 0 H LEU A 41 -4.899 6.262 4.746 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.847 3.622 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.766 5.500 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.136 5.979 2.311 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.803 4.080 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.380 2.192 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.696 2.384 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.354 2.933 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.699 4.154 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.685 4.974 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.246 5.780 -0.060 1.00 0.00 H new ATOM 625 N VAL A 42 -1.888 4.977 3.475 1.00 0.00 N ATOM 626 CA VAL A 42 -0.478 4.664 3.278 1.00 0.00 C ATOM 627 C VAL A 42 0.084 3.891 4.466 1.00 0.00 C ATOM 628 O VAL A 42 0.864 2.953 4.299 1.00 0.00 O ATOM 629 CB VAL A 42 0.357 5.942 3.070 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.791 5.589 2.706 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.273 6.820 2.000 1.00 0.00 C ATOM 0 H VAL A 42 -2.103 5.974 3.469 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.413 4.046 2.382 1.00 0.00 H new ATOM 0 HB VAL A 42 0.373 6.502 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.366 6.504 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.237 5.003 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.800 5.007 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.329 7.718 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.320 6.271 1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.280 7.101 2.307 1.00 0.00 H new ATOM 641 N THR A 43 -0.317 4.291 5.669 1.00 0.00 N ATOM 642 CA THR A 43 0.146 3.637 6.886 1.00 0.00 C ATOM 643 C THR A 43 -0.591 2.323 7.119 1.00 0.00 C ATOM 644 O THR A 43 -0.173 1.501 7.935 1.00 0.00 O ATOM 645 CB THR A 43 -0.042 4.543 8.117 1.00 0.00 C ATOM 646 OG1 THR A 43 1.043 5.473 8.212 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.119 3.715 9.391 1.00 0.00 C ATOM 0 H THR A 43 -0.962 5.065 5.826 1.00 0.00 H new ATOM 0 HA THR A 43 1.209 3.435 6.751 1.00 0.00 H new ATOM 0 HB THR A 43 -0.978 5.089 7.999 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.915 6.046 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.252 4.376 10.247 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.963 3.028 9.328 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.803 3.146 9.512 1.00 0.00 H new ATOM 655 N HIS A 44 -1.690 2.130 6.397 1.00 0.00 N ATOM 656 CA HIS A 44 -2.485 0.914 6.524 1.00 0.00 C ATOM 657 C HIS A 44 -1.859 -0.230 5.732 1.00 0.00 C ATOM 658 O HIS A 44 -1.406 -1.220 6.306 1.00 0.00 O ATOM 659 CB HIS A 44 -3.915 1.161 6.042 1.00 0.00 C ATOM 660 CG HIS A 44 -4.683 -0.096 5.776 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.669 -0.569 6.616 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.608 -0.980 4.753 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.165 -1.690 6.124 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.538 -1.961 4.993 1.00 0.00 N ATOM 0 H HIS A 44 -2.050 2.800 5.718 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.508 0.633 7.577 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.445 1.749 6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.884 1.758 5.131 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -5.969 -0.123 7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.941 -0.924 3.906 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.949 -2.284 6.570 1.00 0.00 H new ATOM 672 N VAL A 45 -1.839 -0.087 4.411 1.00 0.00 N ATOM 673 CA VAL A 45 -1.269 -1.108 3.540 1.00 0.00 C ATOM 674 C VAL A 45 0.180 -1.401 3.913 1.00 0.00 C ATOM 675 O VAL A 45 0.761 -2.390 3.465 1.00 0.00 O ATOM 676 CB VAL A 45 -1.332 -0.683 2.061 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.836 -1.805 1.161 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.747 -0.272 1.685 1.00 0.00 C ATOM 0 H VAL A 45 -2.211 0.726 3.920 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.866 -2.010 3.676 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.679 0.178 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.888 -1.486 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.196 -2.046 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.460 -2.687 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.773 0.025 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.424 -1.112 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.060 0.566 2.308 1.00 0.00 H new ATOM 688 N THR A 46 0.761 -0.533 4.736 1.00 0.00 N ATOM 689 CA THR A 46 2.143 -0.697 5.168 1.00 0.00 C ATOM 690 C THR A 46 2.282 -1.872 6.130 1.00 0.00 C ATOM 691 O THR A 46 2.947 -2.861 5.825 1.00 0.00 O ATOM 692 CB THR A 46 2.673 0.577 5.852 1.00 0.00 C ATOM 693 OG1 THR A 46 3.054 1.541 4.864 1.00 0.00 O ATOM 694 CG2 THR A 46 3.864 0.258 6.743 1.00 0.00 C ATOM 0 H THR A 46 0.295 0.291 5.117 1.00 0.00 H new ATOM 0 HA THR A 46 2.733 -0.892 4.273 1.00 0.00 H new ATOM 0 HB THR A 46 1.876 0.988 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.320 2.176 4.727 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.221 1.173 7.215 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.563 -0.453 7.512 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.663 -0.175 6.141 1.00 0.00 H new ATOM 702 N MET A 47 1.648 -1.756 7.293 1.00 0.00 N ATOM 703 CA MET A 47 1.701 -2.811 8.299 1.00 0.00 C ATOM 704 C MET A 47 0.520 -3.765 8.149 1.00 0.00 C ATOM 705 O MET A 47 0.690 -4.983 8.160 1.00 0.00 O ATOM 706 CB MET A 47 1.706 -2.205 9.704 1.00 0.00 C ATOM 707 CG MET A 47 0.337 -2.190 10.365 1.00 0.00 C ATOM 708 SD MET A 47 0.380 -1.514 12.036 1.00 0.00 S ATOM 709 CE MET A 47 1.020 0.129 11.721 1.00 0.00 C ATOM 0 H MET A 47 1.093 -0.944 7.562 1.00 0.00 H new ATOM 0 HA MET A 47 2.622 -3.375 8.150 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.397 -2.768 10.331 1.00 0.00 H new ATOM 0 HB3 MET A 47 2.085 -1.184 9.649 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.349 -1.601 9.757 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.057 -3.206 10.398 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.779 0.781 12.561 1.00 0.00 H new ATOM 0 HE2 MET A 47 2.102 0.081 11.598 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.569 0.527 10.812 1.00 0.00 H new ATOM 719 N GLU A 48 -0.676 -3.201 8.008 1.00 0.00 N ATOM 720 CA GLU A 48 -1.885 -4.003 7.857 1.00 0.00 C ATOM 721 C GLU A 48 -1.705 -5.058 6.769 1.00 0.00 C ATOM 722 O GLU A 48 -2.161 -6.193 6.908 1.00 0.00 O ATOM 723 CB GLU A 48 -3.079 -3.107 7.522 1.00 0.00 C ATOM 724 CG GLU A 48 -3.213 -1.903 8.439 1.00 0.00 C ATOM 725 CD GLU A 48 -3.274 -2.289 9.904 1.00 0.00 C ATOM 726 OE1 GLU A 48 -2.255 -2.786 10.429 1.00 0.00 O ATOM 727 OE2 GLU A 48 -4.340 -2.096 10.525 1.00 0.00 O ATOM 0 H GLU A 48 -0.833 -2.193 7.995 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.075 -4.510 8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.985 -2.760 6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.993 -3.698 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.368 -1.233 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.114 -1.349 8.175 1.00 0.00 H new ATOM 734 N HIS A 49 -1.038 -4.674 5.685 1.00 0.00 N ATOM 735 CA HIS A 49 -0.797 -5.586 4.572 1.00 0.00 C ATOM 736 C HIS A 49 0.688 -5.912 4.449 1.00 0.00 C ATOM 737 O HIS A 49 1.142 -6.964 4.898 1.00 0.00 O ATOM 738 CB HIS A 49 -1.308 -4.976 3.266 1.00 0.00 C ATOM 739 CG HIS A 49 -2.801 -4.893 3.188 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.637 -5.856 3.712 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.608 -3.952 2.644 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.894 -5.512 3.492 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.904 -4.360 2.846 1.00 0.00 N ATOM 0 H HIS A 49 -0.655 -3.738 5.554 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.339 -6.511 4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.890 -3.975 3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.941 -5.570 2.429 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -3.333 -6.702 4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.292 -3.048 2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.765 -6.077 3.790 1.00 0.00 H new ATOM 751 N VAL A 50 1.440 -5.004 3.835 1.00 0.00 N ATOM 752 CA VAL A 50 2.873 -5.195 3.652 1.00 0.00 C ATOM 753 C VAL A 50 3.519 -5.753 4.916 1.00 0.00 C ATOM 754 O VAL A 50 4.576 -6.381 4.860 1.00 0.00 O ATOM 755 CB VAL A 50 3.572 -3.875 3.273 1.00 0.00 C ATOM 756 CG1 VAL A 50 4.933 -3.779 3.944 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.703 -3.758 1.762 1.00 0.00 C ATOM 0 H VAL A 50 1.080 -4.128 3.456 1.00 0.00 H new ATOM 0 HA VAL A 50 2.995 -5.910 2.838 1.00 0.00 H new ATOM 0 HB VAL A 50 2.961 -3.045 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.411 -2.840 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.808 -3.814 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.557 -4.613 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.199 -2.820 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.292 -4.593 1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.712 -3.777 1.308 1.00 0.00 H new ATOM 767 N GLY A 51 2.874 -5.522 6.055 1.00 0.00 N ATOM 768 CA GLY A 51 3.400 -6.009 7.317 1.00 0.00 C ATOM 769 C GLY A 51 4.468 -5.099 7.890 1.00 0.00 C ATOM 770 O GLY A 51 4.391 -4.693 9.049 1.00 0.00 O ATOM 0 H GLY A 51 1.997 -5.006 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.585 -6.104 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.816 -7.006 7.173 1.00 0.00 H new ATOM 774 N GLY A 52 5.470 -4.780 7.077 1.00 0.00 N ATOM 775 CA GLY A 52 6.545 -3.916 7.528 1.00 0.00 C ATOM 776 C GLY A 52 7.915 -4.509 7.264 1.00 0.00 C ATOM 777 O GLY A 52 8.069 -5.448 6.482 1.00 0.00 O ATOM 0 H GLY A 52 5.557 -5.105 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.467 -2.952 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.433 -3.729 8.596 1.00 0.00 H new ATOM 781 N PRO A 53 8.942 -3.954 7.925 1.00 0.00 N ATOM 782 CA PRO A 53 10.324 -4.417 7.773 1.00 0.00 C ATOM 783 C PRO A 53 10.545 -5.795 8.388 1.00 0.00 C ATOM 784 O PRO A 53 11.645 -6.343 8.325 1.00 0.00 O ATOM 785 CB PRO A 53 11.138 -3.360 8.523 1.00 0.00 C ATOM 786 CG PRO A 53 10.189 -2.789 9.519 1.00 0.00 C ATOM 787 CD PRO A 53 8.833 -2.832 8.872 1.00 0.00 C ATOM 0 HA PRO A 53 10.604 -4.525 6.725 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.006 -3.802 9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.510 -2.592 7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.199 -3.367 10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.465 -1.767 9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.043 -3.000 9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.601 -1.897 8.362 1.00 0.00 H new ATOM 795 N GLU A 54 9.492 -6.348 8.982 1.00 0.00 N ATOM 796 CA GLU A 54 9.573 -7.662 9.609 1.00 0.00 C ATOM 797 C GLU A 54 8.536 -8.612 9.017 1.00 0.00 C ATOM 798 O GLU A 54 7.849 -9.328 9.745 1.00 0.00 O ATOM 799 CB GLU A 54 9.368 -7.544 11.121 1.00 0.00 C ATOM 800 CG GLU A 54 10.530 -6.884 11.844 1.00 0.00 C ATOM 801 CD GLU A 54 11.495 -7.891 12.438 1.00 0.00 C ATOM 802 OE1 GLU A 54 11.797 -8.895 11.758 1.00 0.00 O ATOM 803 OE2 GLU A 54 11.948 -7.677 13.581 1.00 0.00 O ATOM 0 H GLU A 54 8.574 -5.907 9.042 1.00 0.00 H new ATOM 0 HA GLU A 54 10.566 -8.068 9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.460 -6.972 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.211 -8.539 11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.067 -6.239 11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.143 -6.245 12.638 1.00 0.00 H new ATOM 810 N GLN A 55 8.431 -8.612 7.692 1.00 0.00 N ATOM 811 CA GLN A 55 7.477 -9.473 7.002 1.00 0.00 C ATOM 812 C GLN A 55 8.195 -10.442 6.069 1.00 0.00 C ATOM 813 O GLN A 55 9.286 -10.153 5.579 1.00 0.00 O ATOM 814 CB GLN A 55 6.477 -8.629 6.209 1.00 0.00 C ATOM 815 CG GLN A 55 5.025 -8.967 6.507 1.00 0.00 C ATOM 816 CD GLN A 55 4.718 -10.440 6.315 1.00 0.00 C ATOM 817 OE1 GLN A 55 4.223 -11.106 7.225 1.00 0.00 O ATOM 818 NE2 GLN A 55 5.011 -10.956 5.127 1.00 0.00 N ATOM 0 H GLN A 55 8.994 -8.026 7.075 1.00 0.00 H new ATOM 0 HA GLN A 55 6.939 -10.051 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.649 -7.575 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.662 -8.767 5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.793 -8.682 7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.378 -8.377 5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.420 -10.367 4.402 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.827 -11.942 4.940 1.00 0.00 H new ATOM 827 N ASN A 56 7.576 -11.593 5.829 1.00 0.00 N ATOM 828 CA ASN A 56 8.156 -12.606 4.955 1.00 0.00 C ATOM 829 C ASN A 56 7.308 -12.794 3.701 1.00 0.00 C ATOM 830 O ASN A 56 6.171 -13.258 3.773 1.00 0.00 O ATOM 831 CB ASN A 56 8.289 -13.936 5.699 1.00 0.00 C ATOM 832 CG ASN A 56 9.733 -14.295 5.989 1.00 0.00 C ATOM 833 OD1 ASN A 56 10.644 -13.875 5.276 1.00 0.00 O ATOM 834 ND2 ASN A 56 9.949 -15.076 7.041 1.00 0.00 N ATOM 0 H ASN A 56 6.672 -11.848 6.228 1.00 0.00 H new ATOM 0 HA ASN A 56 9.147 -12.265 4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.736 -13.881 6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.833 -14.728 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.900 -15.351 7.285 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.164 -15.401 7.605 1.00 0.00 H new ATOM 841 N ASN A 57 7.869 -12.429 2.553 1.00 0.00 N ATOM 842 CA ASN A 57 7.164 -12.558 1.282 1.00 0.00 C ATOM 843 C ASN A 57 6.233 -11.371 1.055 1.00 0.00 C ATOM 844 O ASN A 57 5.019 -11.479 1.232 1.00 0.00 O ATOM 845 CB ASN A 57 6.366 -13.862 1.248 1.00 0.00 C ATOM 846 CG ASN A 57 6.349 -14.494 -0.130 1.00 0.00 C ATOM 847 OD1 ASN A 57 5.287 -14.713 -0.713 1.00 0.00 O ATOM 848 ND2 ASN A 57 7.531 -14.792 -0.658 1.00 0.00 N ATOM 0 H ASN A 57 8.809 -12.042 2.476 1.00 0.00 H new ATOM 0 HA ASN A 57 7.905 -12.574 0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.794 -14.565 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.342 -13.667 1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.583 -15.220 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.386 -14.593 -0.139 1.00 0.00 H new ATOM 855 N HIS A 58 6.809 -10.240 0.661 1.00 0.00 N ATOM 856 CA HIS A 58 6.030 -9.033 0.408 1.00 0.00 C ATOM 857 C HIS A 58 5.596 -8.963 -1.053 1.00 0.00 C ATOM 858 O HIS A 58 6.430 -8.909 -1.957 1.00 0.00 O ATOM 859 CB HIS A 58 6.843 -7.790 0.771 1.00 0.00 C ATOM 860 CG HIS A 58 8.167 -8.103 1.397 1.00 0.00 C ATOM 861 ND1 HIS A 58 9.352 -7.541 0.972 1.00 0.00 N ATOM 862 CD2 HIS A 58 8.489 -8.923 2.425 1.00 0.00 C ATOM 863 CE1 HIS A 58 10.346 -8.004 1.709 1.00 0.00 C ATOM 864 NE2 HIS A 58 9.849 -8.844 2.599 1.00 0.00 N ATOM 0 H HIS A 58 7.812 -10.134 0.510 1.00 0.00 H new ATOM 0 HA HIS A 58 5.137 -9.069 1.033 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.007 -7.197 -0.129 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.262 -7.174 1.457 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.804 -9.527 3.001 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.388 -7.740 1.602 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.388 -9.351 3.301 1.00 0.00 H new ATOM 872 N VAL A 59 4.286 -8.965 -1.277 1.00 0.00 N ATOM 873 CA VAL A 59 3.741 -8.901 -2.628 1.00 0.00 C ATOM 874 C VAL A 59 2.724 -7.773 -2.758 1.00 0.00 C ATOM 875 O VAL A 59 1.876 -7.583 -1.886 1.00 0.00 O ATOM 876 CB VAL A 59 3.071 -10.230 -3.026 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.426 -10.112 -4.399 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.083 -11.365 -2.999 1.00 0.00 C ATOM 0 H VAL A 59 3.582 -9.010 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 59 4.579 -8.709 -3.298 1.00 0.00 H new ATOM 0 HB VAL A 59 2.288 -10.454 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.958 -11.060 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.670 -9.327 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.187 -9.864 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.593 -12.296 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.889 -11.151 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.494 -11.463 -1.994 1.00 0.00 H new ATOM 888 N CYS A 60 2.814 -7.025 -3.853 1.00 0.00 N ATOM 889 CA CYS A 60 1.903 -5.915 -4.098 1.00 0.00 C ATOM 890 C CYS A 60 0.540 -6.422 -4.561 1.00 0.00 C ATOM 891 O CYS A 60 0.363 -6.786 -5.724 1.00 0.00 O ATOM 892 CB CYS A 60 2.490 -4.968 -5.147 1.00 0.00 C ATOM 893 SG CYS A 60 1.721 -3.317 -5.172 1.00 0.00 S ATOM 0 H CYS A 60 3.510 -7.168 -4.585 1.00 0.00 H new ATOM 0 HA CYS A 60 1.771 -5.373 -3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.559 -4.857 -4.963 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.382 -5.422 -6.132 1.00 0.00 H new ATOM 898 N TYR A 61 -0.420 -6.442 -3.643 1.00 0.00 N ATOM 899 CA TYR A 61 -1.767 -6.906 -3.956 1.00 0.00 C ATOM 900 C TYR A 61 -2.713 -5.729 -4.171 1.00 0.00 C ATOM 901 O TYR A 61 -2.908 -4.905 -3.278 1.00 0.00 O ATOM 902 CB TYR A 61 -2.294 -7.800 -2.832 1.00 0.00 C ATOM 903 CG TYR A 61 -1.700 -9.191 -2.836 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.048 -10.114 -3.815 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.791 -9.582 -1.860 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.508 -11.386 -3.821 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.246 -10.851 -1.860 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.607 -11.749 -2.841 1.00 0.00 C ATOM 909 OH TYR A 61 -0.067 -13.015 -2.845 1.00 0.00 O ATOM 0 H TYR A 61 -0.291 -6.143 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.720 -7.483 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.083 -7.327 -1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.378 -7.877 -2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.752 -9.832 -4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.506 -8.882 -1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.790 -12.092 -4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.460 -11.138 -1.095 1.00 0.00 H new ATOM 0 HH TYR A 61 0.550 -13.110 -2.089 1.00 0.00 H new ATOM 919 N TRP A 62 -3.297 -5.658 -5.361 1.00 0.00 N ATOM 920 CA TRP A 62 -4.224 -4.583 -5.695 1.00 0.00 C ATOM 921 C TRP A 62 -5.215 -5.030 -6.764 1.00 0.00 C ATOM 922 O TRP A 62 -5.070 -6.104 -7.346 1.00 0.00 O ATOM 923 CB TRP A 62 -3.456 -3.351 -6.177 1.00 0.00 C ATOM 924 CG TRP A 62 -4.169 -2.062 -5.904 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.649 -1.179 -6.830 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.482 -1.510 -4.621 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.241 -0.112 -6.198 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.152 -0.291 -4.843 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.262 -1.928 -3.305 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.602 0.512 -3.798 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.709 -1.129 -2.270 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.373 0.079 -2.521 1.00 0.00 C ATOM 0 H TRP A 62 -3.145 -6.332 -6.111 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.782 -4.326 -4.795 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.480 -3.328 -5.692 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.278 -3.439 -7.249 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.574 -1.302 -7.900 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.676 0.685 -6.663 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.752 -2.858 -3.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.114 1.444 -3.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.544 -1.441 -1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.711 0.680 -1.690 1.00 0.00 H new ATOM 943 N GLU A 63 -6.221 -4.199 -7.017 1.00 0.00 N ATOM 944 CA GLU A 63 -7.236 -4.511 -8.017 1.00 0.00 C ATOM 945 C GLU A 63 -6.747 -4.155 -9.418 1.00 0.00 C ATOM 946 O GLU A 63 -7.086 -4.825 -10.393 1.00 0.00 O ATOM 947 CB GLU A 63 -8.533 -3.759 -7.711 1.00 0.00 C ATOM 948 CG GLU A 63 -9.427 -3.570 -8.925 1.00 0.00 C ATOM 949 CD GLU A 63 -10.898 -3.510 -8.562 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.218 -3.027 -7.456 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.730 -3.946 -9.385 1.00 0.00 O ATOM 0 H GLU A 63 -6.355 -3.305 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.429 -5.583 -7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.086 -4.302 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.287 -2.782 -7.295 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.146 -2.651 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.262 -4.390 -9.624 1.00 0.00 H new ATOM 958 N GLU A 64 -5.949 -3.096 -9.509 1.00 0.00 N ATOM 959 CA GLU A 64 -5.415 -2.650 -10.790 1.00 0.00 C ATOM 960 C GLU A 64 -3.928 -2.324 -10.676 1.00 0.00 C ATOM 961 O GLU A 64 -3.510 -1.189 -10.907 1.00 0.00 O ATOM 962 CB GLU A 64 -6.181 -1.422 -11.287 1.00 0.00 C ATOM 963 CG GLU A 64 -6.760 -0.572 -10.169 1.00 0.00 C ATOM 964 CD GLU A 64 -6.955 0.875 -10.578 1.00 0.00 C ATOM 965 OE1 GLU A 64 -5.953 1.620 -10.619 1.00 0.00 O ATOM 966 OE2 GLU A 64 -8.108 1.264 -10.856 1.00 0.00 O ATOM 0 H GLU A 64 -5.658 -2.531 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.537 -3.461 -11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.513 -0.807 -11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.990 -1.749 -11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.717 -0.990 -9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.098 -0.615 -9.304 1.00 0.00 H new ATOM 973 N CYS A 65 -3.134 -3.328 -10.319 1.00 0.00 N ATOM 974 CA CYS A 65 -1.695 -3.150 -10.173 1.00 0.00 C ATOM 975 C CYS A 65 -0.946 -3.796 -11.335 1.00 0.00 C ATOM 976 O CYS A 65 -1.321 -4.857 -11.834 1.00 0.00 O ATOM 977 CB CYS A 65 -1.217 -3.749 -8.849 1.00 0.00 C ATOM 978 SG CYS A 65 0.561 -4.142 -8.808 1.00 0.00 S ATOM 0 H CYS A 65 -3.464 -4.274 -10.125 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.485 -2.080 -10.177 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.442 -3.049 -8.044 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.784 -4.658 -8.649 1.00 0.00 H new ATOM 983 N PRO A 66 0.138 -3.142 -11.777 1.00 0.00 N ATOM 984 CA PRO A 66 0.962 -3.634 -12.885 1.00 0.00 C ATOM 985 C PRO A 66 1.749 -4.886 -12.511 1.00 0.00 C ATOM 986 O PRO A 66 1.857 -5.822 -13.302 1.00 0.00 O ATOM 987 CB PRO A 66 1.914 -2.468 -13.164 1.00 0.00 C ATOM 988 CG PRO A 66 1.993 -1.727 -11.875 1.00 0.00 C ATOM 989 CD PRO A 66 0.643 -1.872 -11.230 1.00 0.00 C ATOM 0 HA PRO A 66 0.358 -3.924 -13.744 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.896 -2.824 -13.477 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.536 -1.831 -13.964 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.776 -2.136 -11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.235 -0.677 -12.043 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.718 -1.904 -10.143 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.013 -1.038 -11.479 1.00 0.00 H new ATOM 997 N ARG A 67 2.297 -4.895 -11.300 1.00 0.00 N ATOM 998 CA ARG A 67 3.074 -6.031 -10.821 1.00 0.00 C ATOM 999 C ARG A 67 2.169 -7.222 -10.522 1.00 0.00 C ATOM 1000 O ARG A 67 2.640 -8.347 -10.360 1.00 0.00 O ATOM 1001 CB ARG A 67 3.860 -5.647 -9.566 1.00 0.00 C ATOM 1002 CG ARG A 67 4.158 -4.160 -9.466 1.00 0.00 C ATOM 1003 CD ARG A 67 5.557 -3.907 -8.924 1.00 0.00 C ATOM 1004 NE ARG A 67 6.101 -2.633 -9.385 1.00 0.00 N ATOM 1005 CZ ARG A 67 6.683 -2.467 -10.567 1.00 0.00 C ATOM 1006 NH1 ARG A 67 6.795 -3.489 -11.404 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.153 -1.276 -10.915 1.00 0.00 N ATOM 0 H ARG A 67 2.217 -4.128 -10.633 1.00 0.00 H new ATOM 0 HA ARG A 67 3.774 -6.316 -11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.296 -5.956 -8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.800 -6.199 -9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.059 -3.701 -10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.423 -3.683 -8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.531 -3.917 -7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.218 -4.717 -9.234 1.00 0.00 H new ATOM 0 HE ARG A 67 6.030 -1.826 -8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.434 -4.406 -11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.243 -3.358 -12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.067 -0.487 -10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.600 -1.150 -11.823 1.00 0.00 H new ATOM 1021 N GLU A 68 0.866 -6.966 -10.451 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.105 -8.017 -10.170 1.00 0.00 C ATOM 1023 C GLU A 68 0.405 -8.950 -9.076 1.00 0.00 C ATOM 1024 O GLU A 68 0.006 -10.111 -8.999 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.404 -8.817 -11.439 1.00 0.00 C ATOM 1026 CG GLU A 68 -0.119 -8.054 -12.722 1.00 0.00 C ATOM 1027 CD GLU A 68 -0.640 -8.768 -13.954 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -1.681 -9.451 -13.849 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -0.007 -8.644 -15.023 1.00 0.00 O ATOM 0 H GLU A 68 0.459 -6.040 -10.584 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.023 -7.545 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.190 -9.731 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.452 -9.118 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.573 -7.065 -12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.956 -7.905 -12.820 1.00 0.00 H new ATOM 1036 N GLY A 69 1.291 -8.432 -8.230 1.00 0.00 N ATOM 1037 CA GLY A 69 1.842 -9.232 -7.152 1.00 0.00 C ATOM 1038 C GLY A 69 3.135 -9.921 -7.543 1.00 0.00 C ATOM 1039 O GLY A 69 3.382 -11.062 -7.152 1.00 0.00 O ATOM 0 H GLY A 69 1.637 -7.473 -8.272 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.021 -8.595 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.111 -9.982 -6.850 1.00 0.00 H new ATOM 1043 N LYS A 70 3.961 -9.228 -8.318 1.00 0.00 N ATOM 1044 CA LYS A 70 5.236 -9.779 -8.764 1.00 0.00 C ATOM 1045 C LYS A 70 6.251 -9.793 -7.625 1.00 0.00 C ATOM 1046 O LYS A 70 7.336 -10.360 -7.755 1.00 0.00 O ATOM 1047 CB LYS A 70 5.783 -8.967 -9.939 1.00 0.00 C ATOM 1048 CG LYS A 70 5.889 -9.760 -11.230 1.00 0.00 C ATOM 1049 CD LYS A 70 6.460 -8.917 -12.358 1.00 0.00 C ATOM 1050 CE LYS A 70 7.399 -9.727 -13.239 1.00 0.00 C ATOM 1051 NZ LYS A 70 7.483 -9.171 -14.618 1.00 0.00 N ATOM 0 H LYS A 70 3.771 -8.283 -8.651 1.00 0.00 H new ATOM 0 HA LYS A 70 5.066 -10.806 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.138 -8.104 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.769 -8.583 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.522 -10.633 -11.071 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.903 -10.129 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.646 -8.517 -12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.996 -8.064 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.393 -9.742 -12.792 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.054 -10.760 -13.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.132 -9.751 -15.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.539 -9.180 -15.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.837 -8.194 -14.577 1.00 0.00 H new ATOM 1065 N SER A 71 5.890 -9.167 -6.510 1.00 0.00 N ATOM 1066 CA SER A 71 6.770 -9.105 -5.349 1.00 0.00 C ATOM 1067 C SER A 71 7.967 -8.199 -5.622 1.00 0.00 C ATOM 1068 O SER A 71 8.168 -7.739 -6.746 1.00 0.00 O ATOM 1069 CB SER A 71 7.253 -10.507 -4.973 1.00 0.00 C ATOM 1070 OG SER A 71 8.646 -10.644 -5.196 1.00 0.00 O ATOM 0 H SER A 71 4.994 -8.695 -6.386 1.00 0.00 H new ATOM 0 HA SER A 71 6.203 -8.688 -4.517 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.028 -10.703 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.713 -11.250 -5.559 1.00 0.00 H new ATOM 0 HG SER A 71 8.830 -10.595 -6.157 1.00 0.00 H new ATOM 1076 N PHE A 72 8.758 -7.946 -4.585 1.00 0.00 N ATOM 1077 CA PHE A 72 9.935 -7.094 -4.711 1.00 0.00 C ATOM 1078 C PHE A 72 11.171 -7.786 -4.142 1.00 0.00 C ATOM 1079 O PHE A 72 11.114 -8.944 -3.730 1.00 0.00 O ATOM 1080 CB PHE A 72 9.706 -5.762 -3.994 1.00 0.00 C ATOM 1081 CG PHE A 72 8.820 -4.817 -4.754 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.442 -4.949 -4.707 1.00 0.00 C ATOM 1083 CD2 PHE A 72 9.366 -3.796 -5.515 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.624 -4.081 -5.405 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.553 -2.924 -6.215 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.181 -3.067 -6.160 1.00 0.00 C ATOM 0 H PHE A 72 8.606 -8.319 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 72 10.103 -6.903 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.264 -5.956 -3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.669 -5.283 -3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.002 -5.740 -4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.439 -3.680 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.551 -4.195 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.991 -2.132 -6.804 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.544 -2.387 -6.706 1.00 0.00 H new ATOM 1096 N LYS A 73 12.288 -7.066 -4.123 1.00 0.00 N ATOM 1097 CA LYS A 73 13.538 -7.607 -3.604 1.00 0.00 C ATOM 1098 C LYS A 73 13.880 -6.989 -2.252 1.00 0.00 C ATOM 1099 O LYS A 73 14.601 -7.584 -1.452 1.00 0.00 O ATOM 1100 CB LYS A 73 14.677 -7.354 -4.595 1.00 0.00 C ATOM 1101 CG LYS A 73 15.860 -8.290 -4.413 1.00 0.00 C ATOM 1102 CD LYS A 73 16.663 -8.428 -5.696 1.00 0.00 C ATOM 1103 CE LYS A 73 17.272 -7.100 -6.119 1.00 0.00 C ATOM 1104 NZ LYS A 73 18.194 -6.559 -5.082 1.00 0.00 N ATOM 0 H LYS A 73 12.353 -6.106 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 73 13.412 -8.681 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.294 -7.459 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.019 -6.325 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.504 -7.914 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.504 -9.271 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.455 -9.163 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.019 -8.803 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.815 -7.231 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.477 -6.380 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.753 -5.781 -5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.640 -6.206 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.834 -7.313 -4.759 1.00 0.00 H new ATOM 1118 N ALA A 74 13.355 -5.794 -2.004 1.00 0.00 N ATOM 1119 CA ALA A 74 13.601 -5.097 -0.747 1.00 0.00 C ATOM 1120 C ALA A 74 12.293 -4.760 -0.040 1.00 0.00 C ATOM 1121 O ALA A 74 11.217 -4.833 -0.635 1.00 0.00 O ATOM 1122 CB ALA A 74 14.411 -3.833 -0.994 1.00 0.00 C ATOM 0 H ALA A 74 12.756 -5.288 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 74 14.173 -5.761 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.587 -3.323 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.367 -4.096 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.860 -3.173 -1.665 1.00 0.00 H new ATOM 1128 N LYS A 75 12.391 -4.392 1.233 1.00 0.00 N ATOM 1129 CA LYS A 75 11.216 -4.043 2.022 1.00 0.00 C ATOM 1130 C LYS A 75 10.591 -2.745 1.521 1.00 0.00 C ATOM 1131 O LYS A 75 9.494 -2.748 0.962 1.00 0.00 O ATOM 1132 CB LYS A 75 11.590 -3.905 3.499 1.00 0.00 C ATOM 1133 CG LYS A 75 10.665 -2.987 4.278 1.00 0.00 C ATOM 1134 CD LYS A 75 9.210 -3.396 4.120 1.00 0.00 C ATOM 1135 CE LYS A 75 8.272 -2.371 4.739 1.00 0.00 C ATOM 1136 NZ LYS A 75 8.760 -0.979 4.536 1.00 0.00 N ATOM 0 H LYS A 75 13.273 -4.328 1.741 1.00 0.00 H new ATOM 0 HA LYS A 75 10.485 -4.844 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.582 -4.892 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.610 -3.527 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.937 -3.006 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.795 -1.961 3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.977 -3.512 3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.051 -4.367 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.280 -2.475 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.171 -2.569 5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.970 -0.313 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.501 -0.766 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.151 -0.885 3.577 1.00 0.00 H new ATOM 1150 N TYR A 76 11.296 -1.638 1.725 1.00 0.00 N ATOM 1151 CA TYR A 76 10.809 -0.332 1.295 1.00 0.00 C ATOM 1152 C TYR A 76 10.464 -0.342 -0.191 1.00 0.00 C ATOM 1153 O TYR A 76 9.696 0.494 -0.668 1.00 0.00 O ATOM 1154 CB TYR A 76 11.857 0.745 1.580 1.00 0.00 C ATOM 1155 CG TYR A 76 13.278 0.287 1.338 1.00 0.00 C ATOM 1156 CD1 TYR A 76 13.751 0.075 0.049 1.00 0.00 C ATOM 1157 CD2 TYR A 76 14.146 0.064 2.400 1.00 0.00 C ATOM 1158 CE1 TYR A 76 15.048 -0.344 -0.176 1.00 0.00 C ATOM 1159 CE2 TYR A 76 15.445 -0.354 2.184 1.00 0.00 C ATOM 1160 CZ TYR A 76 15.891 -0.557 0.894 1.00 0.00 C ATOM 1161 OH TYR A 76 17.184 -0.975 0.675 1.00 0.00 O ATOM 0 H TYR A 76 12.206 -1.618 2.185 1.00 0.00 H new ATOM 0 HA TYR A 76 9.903 -0.106 1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.653 1.614 0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 76 11.760 1.069 2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.093 0.241 -0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 76 13.799 0.220 3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.400 -0.504 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.108 -0.521 3.020 1.00 0.00 H new ATOM 0 HH TYR A 76 17.645 -1.077 1.534 1.00 0.00 H new ATOM 1171 N LYS A 77 11.037 -1.295 -0.919 1.00 0.00 N ATOM 1172 CA LYS A 77 10.791 -1.417 -2.351 1.00 0.00 C ATOM 1173 C LYS A 77 9.303 -1.600 -2.633 1.00 0.00 C ATOM 1174 O LYS A 77 8.791 -1.127 -3.649 1.00 0.00 O ATOM 1175 CB LYS A 77 11.578 -2.596 -2.926 1.00 0.00 C ATOM 1176 CG LYS A 77 12.899 -2.195 -3.560 1.00 0.00 C ATOM 1177 CD LYS A 77 13.111 -2.890 -4.894 1.00 0.00 C ATOM 1178 CE LYS A 77 14.474 -2.561 -5.483 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.626 -3.098 -6.864 1.00 0.00 N ATOM 0 H LYS A 77 11.675 -1.995 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 77 11.124 -0.497 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.770 -3.316 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.965 -3.102 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.921 -1.115 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.718 -2.444 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.021 -3.968 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.330 -2.588 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.612 -1.480 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.255 -2.974 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.568 -2.853 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.519 -4.132 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.897 -2.684 -7.480 1.00 0.00 H new ATOM 1193 N LEU A 78 8.614 -2.286 -1.729 1.00 0.00 N ATOM 1194 CA LEU A 78 7.183 -2.530 -1.880 1.00 0.00 C ATOM 1195 C LEU A 78 6.379 -1.282 -1.531 1.00 0.00 C ATOM 1196 O LEU A 78 5.706 -0.705 -2.385 1.00 0.00 O ATOM 1197 CB LEU A 78 6.748 -3.696 -0.991 1.00 0.00 C ATOM 1198 CG LEU A 78 5.316 -4.194 -1.191 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.843 -3.905 -2.607 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.221 -5.682 -0.888 1.00 0.00 C ATOM 0 H LEU A 78 9.022 -2.684 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 78 6.990 -2.785 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.429 -4.530 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.865 -3.396 0.050 1.00 0.00 H new ATOM 0 HG LEU A 78 4.666 -3.661 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.822 -4.266 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.872 -2.831 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.495 -4.411 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.195 -6.019 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.883 -6.232 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.517 -5.862 0.145 1.00 0.00 H new ATOM 1212 N VAL A 79 6.454 -0.869 -0.269 1.00 0.00 N ATOM 1213 CA VAL A 79 5.735 0.312 0.193 1.00 0.00 C ATOM 1214 C VAL A 79 5.985 1.502 -0.728 1.00 0.00 C ATOM 1215 O VAL A 79 5.170 2.421 -0.806 1.00 0.00 O ATOM 1216 CB VAL A 79 6.145 0.693 1.628 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.807 2.149 1.911 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.471 -0.226 2.636 1.00 0.00 C ATOM 0 H VAL A 79 7.006 -1.335 0.451 1.00 0.00 H new ATOM 0 HA VAL A 79 4.674 0.062 0.180 1.00 0.00 H new ATOM 0 HB VAL A 79 7.224 0.571 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.104 2.400 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.341 2.790 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.734 2.302 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.772 0.057 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.389 -0.138 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.769 -1.257 2.445 1.00 0.00 H new ATOM 1228 N ASN A 80 7.116 1.477 -1.424 1.00 0.00 N ATOM 1229 CA ASN A 80 7.473 2.554 -2.341 1.00 0.00 C ATOM 1230 C ASN A 80 6.559 2.554 -3.562 1.00 0.00 C ATOM 1231 O ASN A 80 6.010 3.590 -3.939 1.00 0.00 O ATOM 1232 CB ASN A 80 8.932 2.414 -2.781 1.00 0.00 C ATOM 1233 CG ASN A 80 9.898 3.033 -1.789 1.00 0.00 C ATOM 1234 OD1 ASN A 80 9.485 3.622 -0.790 1.00 0.00 O ATOM 1235 ND2 ASN A 80 11.191 2.900 -2.061 1.00 0.00 N ATOM 0 H ASN A 80 7.801 0.723 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 80 7.348 3.501 -1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.171 1.358 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.062 2.887 -3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.888 3.294 -1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.487 2.403 -2.901 1.00 0.00 H new ATOM 1242 N HIS A 81 6.400 1.386 -4.176 1.00 0.00 N ATOM 1243 CA HIS A 81 5.552 1.251 -5.355 1.00 0.00 C ATOM 1244 C HIS A 81 4.077 1.357 -4.977 1.00 0.00 C ATOM 1245 O HIS A 81 3.241 1.726 -5.802 1.00 0.00 O ATOM 1246 CB HIS A 81 5.818 -0.084 -6.050 1.00 0.00 C ATOM 1247 CG HIS A 81 4.706 -0.521 -6.954 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.301 0.205 -8.054 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.914 -1.617 -6.917 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.307 -0.425 -8.654 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.053 -1.534 -7.983 1.00 0.00 N ATOM 0 H HIS A 81 6.847 0.519 -3.877 1.00 0.00 H new ATOM 0 HA HIS A 81 5.793 2.063 -6.041 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.737 -0.005 -6.630 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.983 -0.851 -5.294 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.706 1.091 -8.357 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.952 -2.410 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.790 -0.090 -9.541 1.00 0.00 H new ATOM 1259 N ILE A 82 3.766 1.029 -3.727 1.00 0.00 N ATOM 1260 CA ILE A 82 2.393 1.088 -3.242 1.00 0.00 C ATOM 1261 C ILE A 82 1.823 2.496 -3.373 1.00 0.00 C ATOM 1262 O ILE A 82 0.680 2.678 -3.790 1.00 0.00 O ATOM 1263 CB ILE A 82 2.297 0.642 -1.771 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.398 -0.881 -1.669 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.998 1.135 -1.152 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.544 -1.384 -0.250 1.00 0.00 C ATOM 0 H ILE A 82 4.446 0.720 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 82 1.810 0.405 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 82 3.129 1.080 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.508 -1.326 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.252 -1.220 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.945 0.812 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.964 2.224 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.153 0.723 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.610 -2.472 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.449 -0.968 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.678 -1.075 0.336 1.00 0.00 H new ATOM 1278 N ARG A 83 2.630 3.490 -3.015 1.00 0.00 N ATOM 1279 CA ARG A 83 2.206 4.883 -3.094 1.00 0.00 C ATOM 1280 C ARG A 83 1.506 5.165 -4.420 1.00 0.00 C ATOM 1281 O ARG A 83 0.418 5.740 -4.450 1.00 0.00 O ATOM 1282 CB ARG A 83 3.409 5.814 -2.932 1.00 0.00 C ATOM 1283 CG ARG A 83 4.390 5.362 -1.862 1.00 0.00 C ATOM 1284 CD ARG A 83 3.676 4.999 -0.570 1.00 0.00 C ATOM 1285 NE ARG A 83 3.004 6.150 0.027 1.00 0.00 N ATOM 1286 CZ ARG A 83 3.642 7.123 0.668 1.00 0.00 C ATOM 1287 NH1 ARG A 83 4.961 7.083 0.795 1.00 0.00 N ATOM 1288 NH2 ARG A 83 2.961 8.138 1.183 1.00 0.00 N ATOM 0 H ARG A 83 3.580 3.357 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 83 1.500 5.068 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.932 5.887 -3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.053 6.815 -2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.952 4.501 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.112 6.156 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.945 4.215 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.396 4.592 0.140 1.00 0.00 H new ATOM 0 HE ARG A 83 1.989 6.210 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.488 6.304 0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.449 7.831 1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.946 8.172 1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.452 8.884 1.675 1.00 0.00 H new ATOM 1302 N VAL A 84 2.138 4.757 -5.515 1.00 0.00 N ATOM 1303 CA VAL A 84 1.577 4.964 -6.845 1.00 0.00 C ATOM 1304 C VAL A 84 0.100 4.585 -6.883 1.00 0.00 C ATOM 1305 O VAL A 84 -0.696 5.218 -7.577 1.00 0.00 O ATOM 1306 CB VAL A 84 2.333 4.146 -7.908 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.741 2.750 -8.028 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.306 4.862 -9.250 1.00 0.00 C ATOM 0 H VAL A 84 3.040 4.281 -5.508 1.00 0.00 H new ATOM 0 HA VAL A 84 1.684 6.025 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 84 3.372 4.049 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.288 2.187 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.817 2.239 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.693 2.823 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.845 4.270 -9.989 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.273 4.992 -9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.781 5.838 -9.151 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.259 3.549 -6.131 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.641 3.086 -6.078 1.00 0.00 C ATOM 1320 C HIS A 85 -2.492 4.014 -5.216 1.00 0.00 C ATOM 1321 O HIS A 85 -3.505 4.546 -5.670 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.702 1.661 -5.528 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.944 0.667 -6.354 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.548 0.913 -7.652 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.508 -0.580 -6.059 1.00 0.00 C ATOM 1326 CE1 HIS A 85 0.097 -0.140 -8.120 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.136 -1.060 -7.172 1.00 0.00 N ATOM 0 H HIS A 85 0.388 3.015 -5.550 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.041 3.093 -7.092 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.305 1.655 -4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.744 1.349 -5.465 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -0.726 1.774 -8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.642 -1.100 -5.122 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.521 -0.233 -9.109 1.00 0.00 H new ATOM 1335 N THR A 86 -2.074 4.202 -3.968 1.00 0.00 N ATOM 1336 CA THR A 86 -2.798 5.063 -3.041 1.00 0.00 C ATOM 1337 C THR A 86 -3.114 6.412 -3.677 1.00 0.00 C ATOM 1338 O THR A 86 -4.229 6.919 -3.560 1.00 0.00 O ATOM 1339 CB THR A 86 -1.998 5.294 -1.746 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.674 5.740 -2.061 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.926 4.018 -0.920 1.00 0.00 C ATOM 0 H THR A 86 -1.238 3.769 -3.576 1.00 0.00 H new ATOM 0 HA THR A 86 -3.729 4.552 -2.797 1.00 0.00 H new ATOM 0 HB THR A 86 -2.509 6.059 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.513 5.633 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.356 4.205 -0.010 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.934 3.697 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.436 3.236 -1.500 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.124 6.990 -4.351 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.317 8.275 -4.997 1.00 0.00 C ATOM 1351 C GLY A 87 -1.527 9.384 -4.329 1.00 0.00 C ATOM 1352 O GLY A 87 -1.417 10.485 -4.866 1.00 0.00 O ATOM 0 H GLY A 87 -1.192 6.591 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.020 8.201 -6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.377 8.529 -4.984 1.00 0.00 H new ATOM 1356 N GLU A 88 -0.978 9.091 -3.154 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.196 10.074 -2.412 1.00 0.00 C ATOM 1358 C GLU A 88 1.038 10.498 -3.203 1.00 0.00 C ATOM 1359 O GLU A 88 1.035 10.487 -4.435 1.00 0.00 O ATOM 1360 CB GLU A 88 0.225 9.504 -1.056 1.00 0.00 C ATOM 1361 CG GLU A 88 0.271 10.542 0.052 1.00 0.00 C ATOM 1362 CD GLU A 88 0.355 11.960 -0.479 1.00 0.00 C ATOM 1363 OE1 GLU A 88 1.485 12.453 -0.680 1.00 0.00 O ATOM 1364 OE2 GLU A 88 -0.709 12.576 -0.695 1.00 0.00 O ATOM 0 H GLU A 88 -1.060 8.183 -2.696 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.822 10.952 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.469 8.713 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.209 9.045 -1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.619 10.443 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.131 10.346 0.692 1.00 0.00 H new ATOM 1371 N LYS A 89 2.093 10.872 -2.487 1.00 0.00 N ATOM 1372 CA LYS A 89 3.335 11.299 -3.120 1.00 0.00 C ATOM 1373 C LYS A 89 4.286 10.121 -3.303 1.00 0.00 C ATOM 1374 O LYS A 89 4.623 9.428 -2.343 1.00 0.00 O ATOM 1375 CB LYS A 89 4.010 12.387 -2.282 1.00 0.00 C ATOM 1376 CG LYS A 89 4.765 11.848 -1.079 1.00 0.00 C ATOM 1377 CD LYS A 89 5.240 12.970 -0.171 1.00 0.00 C ATOM 1378 CE LYS A 89 6.746 12.921 0.034 1.00 0.00 C ATOM 1379 NZ LYS A 89 7.179 11.642 0.663 1.00 0.00 N ATOM 0 H LYS A 89 2.113 10.888 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 89 3.092 11.703 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.701 12.944 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.253 13.092 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.121 11.172 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.622 11.265 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.962 13.931 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.738 12.896 0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.247 13.041 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.054 13.757 0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.095 11.780 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.471 11.342 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.274 10.910 -0.069 1.00 0.00 H new ATOM 1393 N SER A 90 4.715 9.899 -4.541 1.00 0.00 N ATOM 1394 CA SER A 90 5.626 8.803 -4.850 1.00 0.00 C ATOM 1395 C SER A 90 7.004 9.333 -5.235 1.00 0.00 C ATOM 1396 O SER A 90 7.140 10.468 -5.689 1.00 0.00 O ATOM 1397 CB SER A 90 5.061 7.947 -5.985 1.00 0.00 C ATOM 1398 OG SER A 90 5.696 8.248 -7.215 1.00 0.00 O ATOM 0 H SER A 90 4.446 10.464 -5.347 1.00 0.00 H new ATOM 0 HA SER A 90 5.730 8.187 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.197 6.891 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.988 8.118 -6.074 1.00 0.00 H new ATOM 0 HG SER A 90 5.318 7.687 -7.924 1.00 0.00 H new ATOM 1404 N GLY A 91 8.024 8.501 -5.048 1.00 0.00 N ATOM 1405 CA GLY A 91 9.379 8.902 -5.380 1.00 0.00 C ATOM 1406 C GLY A 91 9.612 8.975 -6.876 1.00 0.00 C ATOM 1407 O GLY A 91 8.745 8.628 -7.679 1.00 0.00 O ATOM 0 H GLY A 91 7.936 7.557 -4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.586 9.875 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.082 8.195 -4.940 1.00 0.00 H new ATOM 1411 N PRO A 92 10.807 9.438 -7.271 1.00 0.00 N ATOM 1412 CA PRO A 92 11.179 9.567 -8.683 1.00 0.00 C ATOM 1413 C PRO A 92 11.370 8.213 -9.359 1.00 0.00 C ATOM 1414 O PRO A 92 11.464 8.127 -10.583 1.00 0.00 O ATOM 1415 CB PRO A 92 12.504 10.331 -8.633 1.00 0.00 C ATOM 1416 CG PRO A 92 13.068 10.023 -7.289 1.00 0.00 C ATOM 1417 CD PRO A 92 11.888 9.870 -6.369 1.00 0.00 C ATOM 0 HA PRO A 92 10.404 10.068 -9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.177 10.009 -9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.348 11.402 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.663 9.110 -7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.726 10.823 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.079 9.133 -5.589 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.644 10.807 -5.869 1.00 0.00 H new ATOM 1425 N SER A 93 11.426 7.158 -8.553 1.00 0.00 N ATOM 1426 CA SER A 93 11.609 5.808 -9.073 1.00 0.00 C ATOM 1427 C SER A 93 12.985 5.655 -9.715 1.00 0.00 C ATOM 1428 O SER A 93 13.181 4.819 -10.597 1.00 0.00 O ATOM 1429 CB SER A 93 10.518 5.479 -10.094 1.00 0.00 C ATOM 1430 OG SER A 93 9.827 4.295 -9.738 1.00 0.00 O ATOM 0 H SER A 93 11.347 7.212 -7.537 1.00 0.00 H new ATOM 0 HA SER A 93 11.537 5.111 -8.238 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.814 6.309 -10.159 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.964 5.361 -11.082 1.00 0.00 H new ATOM 0 HG SER A 93 9.134 4.107 -10.405 1.00 0.00 H new ATOM 1436 N SER A 94 13.935 6.469 -9.265 1.00 0.00 N ATOM 1437 CA SER A 94 15.292 6.428 -9.797 1.00 0.00 C ATOM 1438 C SER A 94 16.230 5.705 -8.837 1.00 0.00 C ATOM 1439 O SER A 94 17.040 6.331 -8.153 1.00 0.00 O ATOM 1440 CB SER A 94 15.803 7.847 -10.057 1.00 0.00 C ATOM 1441 OG SER A 94 14.902 8.572 -10.876 1.00 0.00 O ATOM 0 H SER A 94 13.790 7.165 -8.533 1.00 0.00 H new ATOM 0 HA SER A 94 15.271 5.879 -10.738 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.937 8.368 -9.109 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.780 7.802 -10.537 1.00 0.00 H new ATOM 0 HG SER A 94 15.251 9.476 -11.026 1.00 0.00 H new ATOM 1447 N GLY A 95 16.115 4.381 -8.791 1.00 0.00 N ATOM 1448 CA GLY A 95 16.959 3.593 -7.911 1.00 0.00 C ATOM 1449 C GLY A 95 16.229 2.404 -7.319 1.00 0.00 C ATOM 1450 O GLY A 95 15.890 2.438 -6.137 1.00 0.00 O ATOM 0 H GLY A 95 15.453 3.840 -9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.829 3.242 -8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.329 4.226 -7.105 1.00 0.00 H new TER 1454 GLY A 95 HETATM 1455 ZN ZN A 201 -6.251 -2.872 3.372 1.00 0.00 ZN HETATM 1456 ZN ZN A 401 1.527 -2.624 -7.297 1.00 0.00 ZN