USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 CYS SG : rot -80:sc= 0.262 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -3.35! K(o=-5.7!,f=-6.8) USER MOD Set 1.3: A 62 CYS SG : rot 154:sc= -0.0867 USER MOD Set 1.4: A 65 CYS SG : rot -22:sc= -2.53 USER MOD Set 2.1: A 22 CYS SG : rot 90:sc= 0.506 USER MOD Set 2.2: A 25 CYS SG : rot -52:sc= 0.432 USER MOD Set 2.3: A 42 CYS SG : rot 76:sc= 1.38 USER MOD Set 2.4: A 45 CYS SG : rot 131:sc= -0.426 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 22:sc= 0.584 USER MOD Single : A 15 MET CE :methyl 175:sc= 0 (180deg=-0.0287) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 24:sc= 0.234 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.932 USER MOD Single : A 47 THR OG1 : rot 89:sc= 0.505 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.68) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.49 K(o=-0.49,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 -7.749 -0.153 -46.155 1.00 0.00 N ATOM 31 CA GLY A 4 -6.298 -0.133 -46.122 1.00 0.00 C ATOM 32 C GLY A 4 -5.753 0.068 -44.722 1.00 0.00 C ATOM 33 O GLY A 4 -6.121 1.020 -44.035 1.00 0.00 O ATOM 0 HA2 GLY A 4 -5.915 -1.070 -46.526 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.934 0.665 -46.769 1.00 0.00 H new ATOM 37 N SER A 5 -4.873 -0.834 -44.296 1.00 0.00 N ATOM 38 CA SER A 5 -4.280 -0.754 -42.966 1.00 0.00 C ATOM 39 C SER A 5 -3.197 -1.814 -42.791 1.00 0.00 C ATOM 40 O SER A 5 -3.293 -2.913 -43.337 1.00 0.00 O ATOM 41 CB SER A 5 -5.357 -0.927 -41.894 1.00 0.00 C ATOM 42 OG SER A 5 -5.734 -2.287 -41.764 1.00 0.00 O ATOM 0 H SER A 5 -4.556 -1.628 -44.852 1.00 0.00 H new ATOM 0 HA SER A 5 -3.823 0.229 -42.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.986 -0.556 -40.938 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.230 -0.327 -42.151 1.00 0.00 H new ATOM 0 HG SER A 5 -6.422 -2.371 -41.071 1.00 0.00 H new ATOM 48 N SER A 6 -2.165 -1.475 -42.025 1.00 0.00 N ATOM 49 CA SER A 6 -1.060 -2.394 -41.779 1.00 0.00 C ATOM 50 C SER A 6 -0.202 -1.913 -40.613 1.00 0.00 C ATOM 51 O SER A 6 -0.142 -0.719 -40.323 1.00 0.00 O ATOM 52 CB SER A 6 -0.199 -2.538 -43.036 1.00 0.00 C ATOM 53 OG SER A 6 0.317 -1.284 -43.447 1.00 0.00 O ATOM 0 H SER A 6 -2.071 -0.570 -41.564 1.00 0.00 H new ATOM 0 HA SER A 6 -1.479 -3.366 -41.521 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.623 -3.227 -42.841 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.794 -2.971 -43.840 1.00 0.00 H new ATOM 0 HG SER A 6 0.865 -1.403 -44.251 1.00 0.00 H new ATOM 59 N GLY A 7 0.463 -2.853 -39.948 1.00 0.00 N ATOM 60 CA GLY A 7 1.310 -2.507 -38.822 1.00 0.00 C ATOM 61 C GLY A 7 2.339 -3.578 -38.519 1.00 0.00 C ATOM 62 O GLY A 7 1.992 -4.677 -38.087 1.00 0.00 O ATOM 0 H GLY A 7 0.430 -3.848 -40.169 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.820 -1.566 -39.031 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.689 -2.344 -37.941 1.00 0.00 H new ATOM 66 N MET A 8 3.608 -3.258 -38.747 1.00 0.00 N ATOM 67 CA MET A 8 4.691 -4.202 -38.496 1.00 0.00 C ATOM 68 C MET A 8 5.814 -3.543 -37.702 1.00 0.00 C ATOM 69 O MET A 8 6.108 -2.362 -37.888 1.00 0.00 O ATOM 70 CB MET A 8 5.237 -4.748 -39.817 1.00 0.00 C ATOM 71 CG MET A 8 6.044 -6.027 -39.659 1.00 0.00 C ATOM 72 SD MET A 8 6.679 -6.646 -41.229 1.00 0.00 S ATOM 73 CE MET A 8 5.505 -7.953 -41.577 1.00 0.00 C ATOM 0 H MET A 8 3.912 -2.353 -39.105 1.00 0.00 H new ATOM 0 HA MET A 8 4.290 -5.028 -37.908 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.404 -4.935 -40.495 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.864 -3.988 -40.283 1.00 0.00 H new ATOM 0 HG2 MET A 8 6.878 -5.845 -38.981 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.419 -6.792 -39.197 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.765 -8.434 -42.520 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.533 -8.690 -40.775 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.502 -7.532 -41.648 1.00 0.00 H new ATOM 83 N ALA A 9 6.439 -4.313 -36.817 1.00 0.00 N ATOM 84 CA ALA A 9 7.531 -3.803 -35.997 1.00 0.00 C ATOM 85 C ALA A 9 8.245 -4.937 -35.269 1.00 0.00 C ATOM 86 O ALA A 9 7.843 -6.097 -35.360 1.00 0.00 O ATOM 87 CB ALA A 9 7.008 -2.779 -35.000 1.00 0.00 C ATOM 0 H ALA A 9 6.208 -5.292 -36.650 1.00 0.00 H new ATOM 0 HA ALA A 9 8.252 -3.318 -36.655 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.834 -2.406 -34.394 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.549 -1.949 -35.538 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.266 -3.247 -34.353 1.00 0.00 H new ATOM 93 N SER A 10 9.307 -4.593 -34.547 1.00 0.00 N ATOM 94 CA SER A 10 10.080 -5.583 -33.806 1.00 0.00 C ATOM 95 C SER A 10 9.181 -6.389 -32.874 1.00 0.00 C ATOM 96 O SER A 10 8.248 -5.853 -32.276 1.00 0.00 O ATOM 97 CB SER A 10 11.186 -4.898 -33.000 1.00 0.00 C ATOM 98 OG SER A 10 10.644 -4.144 -31.930 1.00 0.00 O ATOM 0 H SER A 10 9.651 -3.637 -34.460 1.00 0.00 H new ATOM 0 HA SER A 10 10.533 -6.266 -34.525 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.873 -5.648 -32.609 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.765 -4.245 -33.653 1.00 0.00 H new ATOM 0 HG SER A 10 11.371 -3.718 -31.429 1.00 0.00 H new ATOM 104 N SER A 11 9.468 -7.682 -32.757 1.00 0.00 N ATOM 105 CA SER A 11 8.683 -8.564 -31.901 1.00 0.00 C ATOM 106 C SER A 11 9.560 -9.660 -31.301 1.00 0.00 C ATOM 107 O SER A 11 10.195 -10.428 -32.024 1.00 0.00 O ATOM 108 CB SER A 11 7.536 -9.191 -32.695 1.00 0.00 C ATOM 109 OG SER A 11 8.025 -10.092 -33.674 1.00 0.00 O ATOM 0 H SER A 11 10.238 -8.142 -33.244 1.00 0.00 H new ATOM 0 HA SER A 11 8.269 -7.967 -31.088 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.864 -9.716 -32.016 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.952 -8.407 -33.177 1.00 0.00 H new ATOM 0 HG SER A 11 8.925 -10.389 -33.425 1.00 0.00 H new ATOM 115 N VAL A 12 9.589 -9.725 -29.974 1.00 0.00 N ATOM 116 CA VAL A 12 10.386 -10.726 -29.275 1.00 0.00 C ATOM 117 C VAL A 12 9.499 -11.678 -28.480 1.00 0.00 C ATOM 118 O VAL A 12 8.563 -11.251 -27.803 1.00 0.00 O ATOM 119 CB VAL A 12 11.401 -10.069 -28.321 1.00 0.00 C ATOM 120 CG1 VAL A 12 10.683 -9.258 -27.253 1.00 0.00 C ATOM 121 CG2 VAL A 12 12.296 -11.124 -27.688 1.00 0.00 C ATOM 0 H VAL A 12 9.070 -9.096 -29.361 1.00 0.00 H new ATOM 0 HA VAL A 12 10.926 -11.289 -30.036 1.00 0.00 H new ATOM 0 HB VAL A 12 12.029 -9.390 -28.898 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.416 -8.801 -26.588 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.088 -8.478 -27.727 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.029 -9.913 -26.677 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.007 -10.643 -27.017 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.685 -11.829 -27.124 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.838 -11.657 -28.469 1.00 0.00 H new ATOM 131 N LEU A 13 9.800 -12.969 -28.566 1.00 0.00 N ATOM 132 CA LEU A 13 9.031 -13.983 -27.853 1.00 0.00 C ATOM 133 C LEU A 13 9.254 -13.878 -26.348 1.00 0.00 C ATOM 134 O LEU A 13 10.345 -14.160 -25.852 1.00 0.00 O ATOM 135 CB LEU A 13 9.416 -15.380 -28.342 1.00 0.00 C ATOM 136 CG LEU A 13 8.312 -16.437 -28.290 1.00 0.00 C ATOM 137 CD1 LEU A 13 8.717 -17.672 -29.080 1.00 0.00 C ATOM 138 CD2 LEU A 13 7.994 -16.805 -26.848 1.00 0.00 C ATOM 0 H LEU A 13 10.571 -13.338 -29.122 1.00 0.00 H new ATOM 0 HA LEU A 13 7.974 -13.812 -28.057 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.766 -15.299 -29.371 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.258 -15.733 -27.746 1.00 0.00 H new ATOM 0 HG LEU A 13 7.414 -16.019 -28.744 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.919 -18.413 -29.031 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.894 -17.397 -30.120 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.629 -18.092 -28.656 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.206 -17.558 -26.830 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.888 -17.203 -26.369 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.659 -15.917 -26.311 1.00 0.00 H new ATOM 150 N GLU A 14 8.213 -13.474 -25.627 1.00 0.00 N ATOM 151 CA GLU A 14 8.297 -13.334 -24.178 1.00 0.00 C ATOM 152 C GLU A 14 8.385 -14.700 -23.504 1.00 0.00 C ATOM 153 O GLU A 14 8.302 -15.736 -24.163 1.00 0.00 O ATOM 154 CB GLU A 14 7.083 -12.568 -23.646 1.00 0.00 C ATOM 155 CG GLU A 14 6.908 -11.195 -24.273 1.00 0.00 C ATOM 156 CD GLU A 14 6.193 -11.251 -25.609 1.00 0.00 C ATOM 157 OE1 GLU A 14 5.361 -12.162 -25.800 1.00 0.00 O ATOM 158 OE2 GLU A 14 6.465 -10.382 -26.464 1.00 0.00 O ATOM 0 H GLU A 14 7.303 -13.238 -26.022 1.00 0.00 H new ATOM 0 HA GLU A 14 9.202 -12.774 -23.945 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.184 -13.158 -23.826 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.179 -12.456 -22.566 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.346 -10.557 -23.591 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.886 -10.734 -24.408 1.00 0.00 H new ATOM 165 N MET A 15 8.554 -14.693 -22.185 1.00 0.00 N ATOM 166 CA MET A 15 8.653 -15.931 -21.421 1.00 0.00 C ATOM 167 C MET A 15 7.273 -16.536 -21.186 1.00 0.00 C ATOM 168 O MET A 15 6.299 -15.816 -20.963 1.00 0.00 O ATOM 169 CB MET A 15 9.345 -15.675 -20.082 1.00 0.00 C ATOM 170 CG MET A 15 9.284 -16.858 -19.130 1.00 0.00 C ATOM 171 SD MET A 15 10.611 -18.046 -19.411 1.00 0.00 S ATOM 172 CE MET A 15 9.995 -19.463 -18.505 1.00 0.00 C ATOM 0 H MET A 15 8.625 -13.844 -21.624 1.00 0.00 H new ATOM 0 HA MET A 15 9.247 -16.639 -21.999 1.00 0.00 H new ATOM 0 HB2 MET A 15 10.389 -15.420 -20.265 1.00 0.00 H new ATOM 0 HB3 MET A 15 8.885 -14.810 -19.604 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.337 -16.496 -18.103 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.323 -17.360 -19.242 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.663 -20.311 -18.657 1.00 0.00 H new ATOM 0 HE2 MET A 15 9.949 -19.223 -17.443 1.00 0.00 H new ATOM 0 HE3 MET A 15 8.998 -19.718 -18.863 1.00 0.00 H new ATOM 182 N ILE A 16 7.196 -17.862 -21.237 1.00 0.00 N ATOM 183 CA ILE A 16 5.935 -18.562 -21.028 1.00 0.00 C ATOM 184 C ILE A 16 5.099 -17.881 -19.950 1.00 0.00 C ATOM 185 O ILE A 16 5.390 -17.994 -18.759 1.00 0.00 O ATOM 186 CB ILE A 16 6.167 -20.032 -20.630 1.00 0.00 C ATOM 187 CG1 ILE A 16 6.879 -20.782 -21.757 1.00 0.00 C ATOM 188 CG2 ILE A 16 4.844 -20.704 -20.292 1.00 0.00 C ATOM 189 CD1 ILE A 16 8.387 -20.676 -21.695 1.00 0.00 C ATOM 0 H ILE A 16 7.992 -18.473 -21.421 1.00 0.00 H new ATOM 0 HA ILE A 16 5.396 -18.531 -21.975 1.00 0.00 H new ATOM 0 HB ILE A 16 6.802 -20.058 -19.744 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.595 -21.834 -21.719 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.535 -20.393 -22.715 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.024 -21.742 -20.013 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.372 -20.181 -19.460 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.187 -20.671 -21.161 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.825 -21.231 -22.524 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.681 -19.629 -21.764 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.742 -21.091 -20.752 1.00 0.00 H new ATOM 201 N LYS A 17 4.058 -17.173 -20.375 1.00 0.00 N ATOM 202 CA LYS A 17 3.177 -16.475 -19.447 1.00 0.00 C ATOM 203 C LYS A 17 1.776 -16.329 -20.033 1.00 0.00 C ATOM 204 O LYS A 17 1.610 -15.867 -21.161 1.00 0.00 O ATOM 205 CB LYS A 17 3.746 -15.095 -19.111 1.00 0.00 C ATOM 206 CG LYS A 17 4.989 -15.146 -18.239 1.00 0.00 C ATOM 207 CD LYS A 17 4.713 -15.837 -16.914 1.00 0.00 C ATOM 208 CE LYS A 17 5.873 -15.666 -15.945 1.00 0.00 C ATOM 209 NZ LYS A 17 6.855 -16.780 -16.054 1.00 0.00 N ATOM 0 H LYS A 17 3.804 -17.068 -21.357 1.00 0.00 H new ATOM 0 HA LYS A 17 3.111 -17.066 -18.534 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.984 -14.574 -20.038 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.980 -14.509 -18.603 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.783 -15.674 -18.767 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.347 -14.133 -18.054 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.804 -15.429 -16.472 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.534 -16.898 -17.086 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.375 -14.719 -16.143 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.491 -15.617 -14.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.630 -16.627 -15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.382 -17.682 -15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.239 -16.811 -17.020 1.00 0.00 H new ATOM 269 N THR A 21 1.393 -11.432 -16.166 1.00 0.00 N ATOM 270 CA THR A 21 2.602 -10.862 -15.586 1.00 0.00 C ATOM 271 C THR A 21 2.600 -9.341 -15.695 1.00 0.00 C ATOM 272 O THR A 21 1.889 -8.769 -16.522 1.00 0.00 O ATOM 273 CB THR A 21 3.868 -11.412 -16.270 1.00 0.00 C ATOM 274 OG1 THR A 21 3.794 -12.840 -16.360 1.00 0.00 O ATOM 275 CG2 THR A 21 5.117 -11.011 -15.500 1.00 0.00 C ATOM 0 HA THR A 21 2.613 -11.149 -14.534 1.00 0.00 H new ATOM 0 HB THR A 21 3.927 -10.987 -17.272 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.855 -13.121 -16.337 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.998 -11.411 -16.002 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.185 -9.924 -15.458 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.064 -11.411 -14.487 1.00 0.00 H new ATOM 283 N CYS A 22 3.400 -8.691 -14.857 1.00 0.00 N ATOM 284 CA CYS A 22 3.491 -7.236 -14.859 1.00 0.00 C ATOM 285 C CYS A 22 3.902 -6.719 -16.235 1.00 0.00 C ATOM 286 O CYS A 22 4.956 -7.068 -16.767 1.00 0.00 O ATOM 287 CB CYS A 22 4.495 -6.766 -13.805 1.00 0.00 C ATOM 288 SG CYS A 22 4.549 -4.958 -13.584 1.00 0.00 S ATOM 0 H CYS A 22 3.995 -9.149 -14.167 1.00 0.00 H new ATOM 0 HA CYS A 22 2.507 -6.835 -14.618 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.248 -7.231 -12.851 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.489 -7.117 -14.083 1.00 0.00 H new ATOM 0 HG CYS A 22 3.693 -4.607 -12.671 1.00 0.00 H new ATOM 293 N PRO A 23 3.051 -5.867 -16.825 1.00 0.00 N ATOM 294 CA PRO A 23 3.304 -5.282 -18.145 1.00 0.00 C ATOM 295 C PRO A 23 4.450 -4.277 -18.124 1.00 0.00 C ATOM 296 O PRO A 23 4.702 -3.588 -19.113 1.00 0.00 O ATOM 297 CB PRO A 23 1.985 -4.582 -18.482 1.00 0.00 C ATOM 298 CG PRO A 23 1.366 -4.284 -17.160 1.00 0.00 C ATOM 299 CD PRO A 23 1.777 -5.407 -16.248 1.00 0.00 C ATOM 0 HA PRO A 23 3.601 -6.036 -18.874 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.156 -3.670 -19.054 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.341 -5.221 -19.086 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.710 -3.324 -16.776 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.281 -4.225 -17.242 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.902 -5.065 -15.221 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.033 -6.203 -16.231 1.00 0.00 H new ATOM 307 N ILE A 24 5.142 -4.198 -16.992 1.00 0.00 N ATOM 308 CA ILE A 24 6.262 -3.278 -16.844 1.00 0.00 C ATOM 309 C ILE A 24 7.580 -4.033 -16.713 1.00 0.00 C ATOM 310 O ILE A 24 8.427 -3.985 -17.606 1.00 0.00 O ATOM 311 CB ILE A 24 6.083 -2.365 -15.617 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.725 -1.661 -15.672 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.211 -1.347 -15.544 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.153 -1.343 -14.308 1.00 0.00 C ATOM 0 H ILE A 24 4.946 -4.761 -16.164 1.00 0.00 H new ATOM 0 HA ILE A 24 6.286 -2.663 -17.744 1.00 0.00 H new ATOM 0 HB ILE A 24 6.117 -2.980 -14.717 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.827 -0.736 -16.239 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.020 -2.291 -16.215 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.070 -0.709 -14.671 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.166 -1.867 -15.463 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.207 -0.734 -16.445 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.190 -0.845 -14.424 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.018 -2.267 -13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.838 -0.688 -13.770 1.00 0.00 H new ATOM 326 N CYS A 25 7.747 -4.733 -15.596 1.00 0.00 N ATOM 327 CA CYS A 25 8.961 -5.500 -15.347 1.00 0.00 C ATOM 328 C CYS A 25 8.841 -6.909 -15.923 1.00 0.00 C ATOM 329 O CYS A 25 9.843 -7.599 -16.118 1.00 0.00 O ATOM 330 CB CYS A 25 9.244 -5.574 -13.846 1.00 0.00 C ATOM 331 SG CYS A 25 7.878 -6.273 -12.864 1.00 0.00 S ATOM 0 H CYS A 25 7.055 -4.785 -14.848 1.00 0.00 H new ATOM 0 HA CYS A 25 9.789 -4.993 -15.841 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.138 -6.177 -13.685 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.465 -4.572 -13.479 1.00 0.00 H new ATOM 0 HG CYS A 25 6.775 -5.644 -13.145 1.00 0.00 H new ATOM 336 N LEU A 26 7.610 -7.328 -16.193 1.00 0.00 N ATOM 337 CA LEU A 26 7.359 -8.654 -16.747 1.00 0.00 C ATOM 338 C LEU A 26 7.879 -9.742 -15.813 1.00 0.00 C ATOM 339 O LEU A 26 8.578 -10.659 -16.242 1.00 0.00 O ATOM 340 CB LEU A 26 8.017 -8.788 -18.121 1.00 0.00 C ATOM 341 CG LEU A 26 7.575 -7.775 -19.178 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.505 -7.819 -20.380 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.138 -8.041 -19.604 1.00 0.00 C ATOM 0 H LEU A 26 6.771 -6.770 -16.038 1.00 0.00 H new ATOM 0 HA LEU A 26 6.281 -8.777 -16.854 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.096 -8.704 -17.995 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.818 -9.790 -18.501 1.00 0.00 H new ATOM 0 HG LEU A 26 7.625 -6.778 -18.741 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.175 -7.092 -21.122 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.520 -7.580 -20.063 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.487 -8.817 -20.818 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.840 -7.311 -20.356 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.062 -9.045 -20.023 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.481 -7.958 -18.738 1.00 0.00 H new ATOM 355 N GLU A 27 7.531 -9.634 -14.534 1.00 0.00 N ATOM 356 CA GLU A 27 7.963 -10.610 -13.541 1.00 0.00 C ATOM 357 C GLU A 27 6.863 -10.864 -12.514 1.00 0.00 C ATOM 358 O GLU A 27 5.901 -10.101 -12.416 1.00 0.00 O ATOM 359 CB GLU A 27 9.232 -10.126 -12.836 1.00 0.00 C ATOM 360 CG GLU A 27 10.506 -10.411 -13.612 1.00 0.00 C ATOM 361 CD GLU A 27 11.757 -10.089 -12.818 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.889 -8.935 -12.360 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.605 -10.992 -12.655 1.00 0.00 O ATOM 0 H GLU A 27 6.952 -8.881 -14.162 1.00 0.00 H new ATOM 0 HA GLU A 27 8.177 -11.546 -14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.154 -9.053 -12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.298 -10.602 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.524 -11.462 -13.901 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.504 -9.828 -14.533 1.00 0.00 H new ATOM 370 N LEU A 28 7.011 -11.943 -11.752 1.00 0.00 N ATOM 371 CA LEU A 28 6.030 -12.299 -10.733 1.00 0.00 C ATOM 372 C LEU A 28 5.582 -11.067 -9.954 1.00 0.00 C ATOM 373 O LEU A 28 6.375 -10.442 -9.249 1.00 0.00 O ATOM 374 CB LEU A 28 6.616 -13.338 -9.775 1.00 0.00 C ATOM 375 CG LEU A 28 6.402 -14.802 -10.159 1.00 0.00 C ATOM 376 CD1 LEU A 28 4.921 -15.148 -10.138 1.00 0.00 C ATOM 377 CD2 LEU A 28 6.999 -15.087 -11.529 1.00 0.00 C ATOM 0 H LEU A 28 7.800 -12.586 -11.821 1.00 0.00 H new ATOM 0 HA LEU A 28 5.160 -12.725 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.688 -13.159 -9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.185 -13.176 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 28 6.911 -15.428 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.788 -16.194 -10.414 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.523 -14.983 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.389 -14.515 -10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.837 -16.134 -11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.519 -14.452 -12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.069 -14.879 -11.510 1.00 0.00 H new ATOM 389 N LEU A 29 4.305 -10.724 -10.083 1.00 0.00 N ATOM 390 CA LEU A 29 3.749 -9.567 -9.389 1.00 0.00 C ATOM 391 C LEU A 29 3.860 -9.735 -7.877 1.00 0.00 C ATOM 392 O LEU A 29 3.379 -10.718 -7.313 1.00 0.00 O ATOM 393 CB LEU A 29 2.286 -9.364 -9.786 1.00 0.00 C ATOM 394 CG LEU A 29 2.000 -9.298 -11.286 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.619 -9.854 -11.592 1.00 0.00 C ATOM 396 CD2 LEU A 29 2.124 -7.867 -11.790 1.00 0.00 C ATOM 0 H LEU A 29 3.635 -11.230 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 29 4.323 -8.688 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.699 -10.178 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.931 -8.441 -9.328 1.00 0.00 H new ATOM 0 HG LEU A 29 2.738 -9.910 -11.804 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.434 -9.798 -12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.565 -10.893 -11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.134 -9.270 -11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.917 -7.839 -12.860 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.409 -7.233 -11.265 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.135 -7.503 -11.606 1.00 0.00 H new ATOM 408 N LYS A 30 4.494 -8.767 -7.225 1.00 0.00 N ATOM 409 CA LYS A 30 4.665 -8.804 -5.777 1.00 0.00 C ATOM 410 C LYS A 30 3.672 -7.874 -5.088 1.00 0.00 C ATOM 411 O LYS A 30 3.737 -6.655 -5.246 1.00 0.00 O ATOM 412 CB LYS A 30 6.095 -8.409 -5.402 1.00 0.00 C ATOM 413 CG LYS A 30 6.347 -8.386 -3.904 1.00 0.00 C ATOM 414 CD LYS A 30 7.830 -8.476 -3.586 1.00 0.00 C ATOM 415 CE LYS A 30 8.349 -9.896 -3.749 1.00 0.00 C ATOM 416 NZ LYS A 30 9.837 -9.952 -3.698 1.00 0.00 N ATOM 0 H LYS A 30 4.898 -7.946 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 30 4.476 -9.823 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.790 -9.107 -5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.310 -7.423 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.938 -7.469 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.822 -9.217 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.385 -7.807 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.005 -8.138 -2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.935 -10.527 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.003 -10.303 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.151 -10.937 -3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.233 -9.371 -4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.167 -9.588 -2.781 1.00 0.00 H new ATOM 430 N GLU A 31 2.755 -8.457 -4.322 1.00 0.00 N ATOM 431 CA GLU A 31 1.749 -7.678 -3.608 1.00 0.00 C ATOM 432 C GLU A 31 1.199 -6.561 -4.491 1.00 0.00 C ATOM 433 O GLU A 31 1.158 -5.394 -4.103 1.00 0.00 O ATOM 434 CB GLU A 31 2.344 -7.087 -2.328 1.00 0.00 C ATOM 435 CG GLU A 31 2.485 -8.095 -1.200 1.00 0.00 C ATOM 436 CD GLU A 31 3.690 -8.999 -1.374 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.825 -8.522 -1.165 1.00 0.00 O ATOM 438 OE2 GLU A 31 3.498 -10.184 -1.718 1.00 0.00 O ATOM 0 H GLU A 31 2.688 -9.465 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 31 0.929 -8.345 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.324 -6.667 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.714 -6.263 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.567 -7.564 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.583 -8.704 -1.147 1.00 0.00 H new ATOM 445 N PRO A 32 0.767 -6.927 -5.707 1.00 0.00 N ATOM 446 CA PRO A 32 0.212 -5.971 -6.669 1.00 0.00 C ATOM 447 C PRO A 32 -1.150 -5.438 -6.238 1.00 0.00 C ATOM 448 O PRO A 32 -1.894 -6.112 -5.525 1.00 0.00 O ATOM 449 CB PRO A 32 0.081 -6.796 -7.952 1.00 0.00 C ATOM 450 CG PRO A 32 -0.042 -8.205 -7.486 1.00 0.00 C ATOM 451 CD PRO A 32 0.787 -8.301 -6.235 1.00 0.00 C ATOM 0 HA PRO A 32 0.842 -5.088 -6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.792 -6.493 -8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.951 -6.667 -8.596 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.083 -8.460 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.316 -8.900 -8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.362 -9.011 -5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.802 -8.634 -6.450 1.00 0.00 H new ATOM 459 N VAL A 33 -1.471 -4.224 -6.674 1.00 0.00 N ATOM 460 CA VAL A 33 -2.745 -3.602 -6.334 1.00 0.00 C ATOM 461 C VAL A 33 -3.646 -3.488 -7.559 1.00 0.00 C ATOM 462 O VAL A 33 -3.191 -3.129 -8.645 1.00 0.00 O ATOM 463 CB VAL A 33 -2.540 -2.200 -5.729 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.732 -2.286 -4.444 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.864 -1.280 -6.734 1.00 0.00 C ATOM 0 H VAL A 33 -0.866 -3.652 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.223 -4.244 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.517 -1.781 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.597 -1.286 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.261 -2.908 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.757 -2.725 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.727 -0.294 -6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.893 -1.692 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.487 -1.194 -7.624 1.00 0.00 H new ATOM 475 N SER A 34 -4.926 -3.797 -7.376 1.00 0.00 N ATOM 476 CA SER A 34 -5.891 -3.733 -8.467 1.00 0.00 C ATOM 477 C SER A 34 -6.272 -2.287 -8.771 1.00 0.00 C ATOM 478 O SER A 34 -6.109 -1.401 -7.932 1.00 0.00 O ATOM 479 CB SER A 34 -7.142 -4.540 -8.117 1.00 0.00 C ATOM 480 OG SER A 34 -7.666 -4.150 -6.860 1.00 0.00 O ATOM 0 H SER A 34 -5.318 -4.094 -6.483 1.00 0.00 H new ATOM 0 HA SER A 34 -5.428 -4.162 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.898 -4.398 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.900 -5.603 -8.100 1.00 0.00 H new ATOM 0 HG SER A 34 -8.466 -4.680 -6.661 1.00 0.00 H new ATOM 486 N ALA A 35 -6.782 -2.057 -9.976 1.00 0.00 N ATOM 487 CA ALA A 35 -7.189 -0.720 -10.391 1.00 0.00 C ATOM 488 C ALA A 35 -8.592 -0.734 -10.989 1.00 0.00 C ATOM 489 O ALA A 35 -9.223 -1.786 -11.090 1.00 0.00 O ATOM 490 CB ALA A 35 -6.193 -0.151 -11.390 1.00 0.00 C ATOM 0 H ALA A 35 -6.923 -2.779 -10.682 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.205 -0.082 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.510 0.848 -11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.207 -0.095 -10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.148 -0.797 -12.267 1.00 0.00 H new ATOM 496 N ASP A 36 -9.074 0.439 -11.382 1.00 0.00 N ATOM 497 CA ASP A 36 -10.403 0.562 -11.971 1.00 0.00 C ATOM 498 C ASP A 36 -10.501 -0.243 -13.263 1.00 0.00 C ATOM 499 O ASP A 36 -11.544 -0.822 -13.569 1.00 0.00 O ATOM 500 CB ASP A 36 -10.730 2.031 -12.244 1.00 0.00 C ATOM 501 CG ASP A 36 -12.222 2.285 -12.330 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.781 2.166 -13.440 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.830 2.603 -11.287 1.00 0.00 O ATOM 0 H ASP A 36 -8.565 1.319 -11.304 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.127 0.164 -11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.304 2.648 -11.453 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.258 2.338 -13.177 1.00 0.00 H new ATOM 508 N CYS A 37 -9.409 -0.274 -14.019 1.00 0.00 N ATOM 509 CA CYS A 37 -9.371 -1.006 -15.280 1.00 0.00 C ATOM 510 C CYS A 37 -8.984 -2.464 -15.051 1.00 0.00 C ATOM 511 O CYS A 37 -8.320 -3.078 -15.884 1.00 0.00 O ATOM 512 CB CYS A 37 -8.382 -0.350 -16.245 1.00 0.00 C ATOM 513 SG CYS A 37 -6.785 0.091 -15.487 1.00 0.00 S ATOM 0 H CYS A 37 -8.538 0.200 -13.780 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.369 -0.978 -15.718 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.201 -1.028 -17.079 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.837 0.550 -16.658 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.909 1.207 -14.832 1.00 0.00 H new ATOM 518 N ASN A 38 -9.406 -3.011 -13.915 1.00 0.00 N ATOM 519 CA ASN A 38 -9.104 -4.397 -13.576 1.00 0.00 C ATOM 520 C ASN A 38 -7.651 -4.732 -13.900 1.00 0.00 C ATOM 521 O ASN A 38 -7.340 -5.844 -14.328 1.00 0.00 O ATOM 522 CB ASN A 38 -10.039 -5.344 -14.331 1.00 0.00 C ATOM 523 CG ASN A 38 -11.304 -5.649 -13.553 1.00 0.00 C ATOM 524 OD1 ASN A 38 -12.129 -4.766 -13.317 1.00 0.00 O ATOM 525 ND2 ASN A 38 -11.463 -6.905 -13.152 1.00 0.00 N ATOM 0 H ASN A 38 -9.958 -2.516 -13.214 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.257 -4.525 -12.504 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.304 -4.900 -15.291 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.514 -6.275 -14.545 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.295 -7.171 -12.626 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.753 -7.604 -13.370 1.00 0.00 H new ATOM 532 N HIS A 39 -6.766 -3.762 -13.694 1.00 0.00 N ATOM 533 CA HIS A 39 -5.345 -3.955 -13.963 1.00 0.00 C ATOM 534 C HIS A 39 -4.532 -3.872 -12.674 1.00 0.00 C ATOM 535 O HIS A 39 -4.677 -2.929 -11.897 1.00 0.00 O ATOM 536 CB HIS A 39 -4.848 -2.910 -14.962 1.00 0.00 C ATOM 537 CG HIS A 39 -5.417 -3.077 -16.337 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.217 -2.163 -17.350 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.183 -4.060 -16.864 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.837 -2.577 -18.441 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.430 -3.726 -18.173 1.00 0.00 N ATOM 0 H HIS A 39 -7.007 -2.835 -13.342 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.212 -4.948 -14.392 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.100 -1.916 -14.592 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.761 -2.962 -15.019 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.675 -1.302 -17.270 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.535 -4.943 -16.351 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.856 -2.063 -19.391 1.00 0.00 H new ATOM 549 N SER A 40 -3.677 -4.865 -12.455 1.00 0.00 N ATOM 550 CA SER A 40 -2.844 -4.907 -11.259 1.00 0.00 C ATOM 551 C SER A 40 -1.365 -4.817 -11.623 1.00 0.00 C ATOM 552 O SER A 40 -0.944 -5.290 -12.679 1.00 0.00 O ATOM 553 CB SER A 40 -3.110 -6.191 -10.471 1.00 0.00 C ATOM 554 OG SER A 40 -4.209 -6.031 -9.591 1.00 0.00 O ATOM 0 H SER A 40 -3.543 -5.652 -13.090 1.00 0.00 H new ATOM 0 HA SER A 40 -3.100 -4.049 -10.638 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.309 -7.010 -11.162 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.221 -6.463 -9.902 1.00 0.00 H new ATOM 0 HG SER A 40 -4.359 -6.866 -9.100 1.00 0.00 H new ATOM 560 N PHE A 41 -0.581 -4.206 -10.741 1.00 0.00 N ATOM 561 CA PHE A 41 0.851 -4.052 -10.969 1.00 0.00 C ATOM 562 C PHE A 41 1.620 -4.109 -9.652 1.00 0.00 C ATOM 563 O PHE A 41 1.072 -3.824 -8.587 1.00 0.00 O ATOM 564 CB PHE A 41 1.137 -2.730 -11.683 1.00 0.00 C ATOM 565 CG PHE A 41 0.081 -2.348 -12.682 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.092 -1.736 -12.270 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.262 -2.600 -14.032 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.065 -1.383 -13.186 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.707 -2.249 -14.952 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.872 -1.641 -14.529 1.00 0.00 C ATOM 0 H PHE A 41 -0.913 -3.809 -9.862 1.00 0.00 H new ATOM 0 HA PHE A 41 1.184 -4.876 -11.600 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.227 -1.937 -10.940 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.098 -2.801 -12.192 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.248 -1.532 -11.221 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.171 -3.076 -14.369 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.975 -0.906 -12.852 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.553 -2.450 -16.002 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.631 -1.368 -15.247 1.00 0.00 H new ATOM 580 N CYS A 42 2.894 -4.478 -9.734 1.00 0.00 N ATOM 581 CA CYS A 42 3.740 -4.573 -8.550 1.00 0.00 C ATOM 582 C CYS A 42 3.578 -3.341 -7.665 1.00 0.00 C ATOM 583 O CYS A 42 3.732 -2.209 -8.125 1.00 0.00 O ATOM 584 CB CYS A 42 5.207 -4.733 -8.957 1.00 0.00 C ATOM 585 SG CYS A 42 5.488 -5.990 -10.246 1.00 0.00 S ATOM 0 H CYS A 42 3.363 -4.716 -10.608 1.00 0.00 H new ATOM 0 HA CYS A 42 3.430 -5.450 -7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.581 -3.773 -9.313 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.791 -4.996 -8.075 1.00 0.00 H new ATOM 0 HG CYS A 42 5.117 -5.519 -11.399 1.00 0.00 H new ATOM 590 N ARG A 43 3.267 -3.569 -6.393 1.00 0.00 N ATOM 591 CA ARG A 43 3.084 -2.479 -5.444 1.00 0.00 C ATOM 592 C ARG A 43 4.037 -1.327 -5.748 1.00 0.00 C ATOM 593 O ARG A 43 3.653 -0.159 -5.691 1.00 0.00 O ATOM 594 CB ARG A 43 3.307 -2.975 -4.014 1.00 0.00 C ATOM 595 CG ARG A 43 2.846 -1.994 -2.949 1.00 0.00 C ATOM 596 CD ARG A 43 2.406 -2.711 -1.683 1.00 0.00 C ATOM 597 NE ARG A 43 2.645 -1.908 -0.487 1.00 0.00 N ATOM 598 CZ ARG A 43 2.117 -2.182 0.701 1.00 0.00 C ATOM 599 NH1 ARG A 43 1.324 -3.234 0.850 1.00 0.00 N ATOM 600 NH2 ARG A 43 2.383 -1.403 1.742 1.00 0.00 N ATOM 0 H ARG A 43 3.137 -4.500 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 43 2.061 -2.116 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.778 -3.919 -3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.368 -3.181 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.656 -1.303 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.020 -1.397 -3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.345 -2.951 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.941 -3.657 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 43 3.251 -1.091 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.118 -3.835 0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.920 -3.443 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.993 -0.593 1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.977 -1.614 2.654 1.00 0.00 H new ATOM 614 N ALA A 44 5.281 -1.664 -6.071 1.00 0.00 N ATOM 615 CA ALA A 44 6.288 -0.659 -6.385 1.00 0.00 C ATOM 616 C ALA A 44 6.052 -0.059 -7.767 1.00 0.00 C ATOM 617 O ALA A 44 5.755 1.129 -7.897 1.00 0.00 O ATOM 618 CB ALA A 44 7.682 -1.264 -6.301 1.00 0.00 C ATOM 0 H ALA A 44 5.616 -2.626 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 44 6.207 0.143 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.424 -0.502 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.856 -1.639 -5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.766 -2.086 -7.012 1.00 0.00 H new ATOM 624 N CYS A 45 6.188 -0.887 -8.797 1.00 0.00 N ATOM 625 CA CYS A 45 5.991 -0.438 -10.171 1.00 0.00 C ATOM 626 C CYS A 45 4.899 0.626 -10.244 1.00 0.00 C ATOM 627 O CYS A 45 5.175 1.796 -10.509 1.00 0.00 O ATOM 628 CB CYS A 45 5.626 -1.622 -11.069 1.00 0.00 C ATOM 629 SG CYS A 45 6.994 -2.792 -11.348 1.00 0.00 S ATOM 0 H CYS A 45 6.434 -1.873 -8.707 1.00 0.00 H new ATOM 0 HA CYS A 45 6.925 0.001 -10.521 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.789 -2.158 -10.623 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.285 -1.242 -12.032 1.00 0.00 H new ATOM 0 HG CYS A 45 6.581 -4.004 -11.122 1.00 0.00 H new ATOM 634 N ILE A 46 3.659 0.210 -10.007 1.00 0.00 N ATOM 635 CA ILE A 46 2.526 1.126 -10.045 1.00 0.00 C ATOM 636 C ILE A 46 2.899 2.485 -9.462 1.00 0.00 C ATOM 637 O ILE A 46 2.493 3.528 -9.977 1.00 0.00 O ATOM 638 CB ILE A 46 1.320 0.562 -9.271 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.086 1.438 -9.498 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.641 0.464 -7.788 1.00 0.00 C ATOM 641 CD1 ILE A 46 -1.218 0.740 -9.180 1.00 0.00 C ATOM 0 H ILE A 46 3.414 -0.755 -9.787 1.00 0.00 H new ATOM 0 HA ILE A 46 2.251 1.245 -11.093 1.00 0.00 H new ATOM 0 HB ILE A 46 1.105 -0.440 -9.643 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.168 2.334 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.069 1.766 -10.537 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.779 0.064 -7.255 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.496 -0.197 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.879 1.455 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.049 1.421 -9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.323 -0.141 -9.813 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.222 0.437 -8.133 1.00 0.00 H new ATOM 653 N THR A 47 3.677 2.468 -8.384 1.00 0.00 N ATOM 654 CA THR A 47 4.106 3.698 -7.730 1.00 0.00 C ATOM 655 C THR A 47 5.164 4.419 -8.557 1.00 0.00 C ATOM 656 O THR A 47 4.963 5.557 -8.985 1.00 0.00 O ATOM 657 CB THR A 47 4.671 3.420 -6.325 1.00 0.00 C ATOM 658 OG1 THR A 47 3.661 2.828 -5.499 1.00 0.00 O ATOM 659 CG2 THR A 47 5.172 4.703 -5.679 1.00 0.00 C ATOM 0 H THR A 47 4.023 1.615 -7.945 1.00 0.00 H new ATOM 0 HA THR A 47 3.224 4.332 -7.639 1.00 0.00 H new ATOM 0 HB THR A 47 5.509 2.731 -6.425 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.692 1.853 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.566 4.481 -4.687 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.960 5.136 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.349 5.412 -5.592 1.00 0.00 H new ATOM 667 N LEU A 48 6.291 3.752 -8.780 1.00 0.00 N ATOM 668 CA LEU A 48 7.381 4.330 -9.557 1.00 0.00 C ATOM 669 C LEU A 48 6.877 4.853 -10.898 1.00 0.00 C ATOM 670 O LEU A 48 7.050 6.028 -11.222 1.00 0.00 O ATOM 671 CB LEU A 48 8.480 3.290 -9.784 1.00 0.00 C ATOM 672 CG LEU A 48 9.458 3.083 -8.626 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.302 4.330 -8.412 1.00 0.00 C ATOM 674 CD2 LEU A 48 8.708 2.719 -7.353 1.00 0.00 C ATOM 0 H LEU A 48 6.474 2.810 -8.433 1.00 0.00 H new ATOM 0 HA LEU A 48 7.792 5.167 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.007 2.334 -10.009 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.050 3.580 -10.667 1.00 0.00 H new ATOM 0 HG LEU A 48 10.123 2.258 -8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.992 4.165 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.868 4.546 -9.318 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.652 5.174 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.420 2.575 -6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.019 3.523 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.148 1.798 -7.512 1.00 0.00 H new ATOM 686 N ASN A 49 6.250 3.974 -11.673 1.00 0.00 N ATOM 687 CA ASN A 49 5.718 4.348 -12.978 1.00 0.00 C ATOM 688 C ASN A 49 4.833 5.586 -12.870 1.00 0.00 C ATOM 689 O ASN A 49 4.827 6.437 -13.760 1.00 0.00 O ATOM 690 CB ASN A 49 4.921 3.188 -13.579 1.00 0.00 C ATOM 691 CG ASN A 49 4.984 3.167 -15.094 1.00 0.00 C ATOM 692 OD1 ASN A 49 6.018 2.848 -15.679 1.00 0.00 O ATOM 693 ND2 ASN A 49 3.873 3.509 -15.736 1.00 0.00 N ATOM 0 H ASN A 49 6.098 2.998 -11.420 1.00 0.00 H new ATOM 0 HA ASN A 49 6.558 4.580 -13.632 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.306 2.246 -13.189 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.881 3.263 -13.262 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.854 3.514 -16.756 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.038 3.767 -15.209 1.00 0.00 H new ATOM 700 N TYR A 50 4.086 5.679 -11.776 1.00 0.00 N ATOM 701 CA TYR A 50 3.195 6.811 -11.552 1.00 0.00 C ATOM 702 C TYR A 50 3.990 8.088 -11.299 1.00 0.00 C ATOM 703 O TYR A 50 3.726 9.127 -11.903 1.00 0.00 O ATOM 704 CB TYR A 50 2.268 6.532 -10.369 1.00 0.00 C ATOM 705 CG TYR A 50 1.793 7.782 -9.663 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.680 8.479 -10.115 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.457 8.265 -8.542 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.243 9.621 -9.474 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.027 9.406 -7.893 1.00 0.00 C ATOM 710 CZ TYR A 50 0.920 10.081 -8.363 1.00 0.00 C ATOM 711 OH TYR A 50 0.487 11.218 -7.720 1.00 0.00 O ATOM 0 H TYR A 50 4.080 4.984 -11.030 1.00 0.00 H new ATOM 0 HA TYR A 50 2.594 6.950 -12.451 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.401 5.973 -10.721 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.788 5.896 -9.653 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.147 8.121 -10.983 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.325 7.739 -8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.624 10.151 -9.840 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.555 9.767 -7.023 1.00 0.00 H new ATOM 0 HH TYR A 50 1.072 11.405 -6.957 1.00 0.00 H new ATOM 721 N GLU A 51 4.966 8.001 -10.400 1.00 0.00 N ATOM 722 CA GLU A 51 5.801 9.150 -10.066 1.00 0.00 C ATOM 723 C GLU A 51 6.468 9.719 -11.314 1.00 0.00 C ATOM 724 O GLU A 51 6.362 10.912 -11.599 1.00 0.00 O ATOM 725 CB GLU A 51 6.865 8.753 -9.041 1.00 0.00 C ATOM 726 CG GLU A 51 6.291 8.339 -7.696 1.00 0.00 C ATOM 727 CD GLU A 51 6.121 9.511 -6.749 1.00 0.00 C ATOM 728 OE1 GLU A 51 5.065 10.175 -6.813 1.00 0.00 O ATOM 729 OE2 GLU A 51 7.041 9.763 -5.944 1.00 0.00 O ATOM 0 H GLU A 51 5.198 7.148 -9.891 1.00 0.00 H new ATOM 0 HA GLU A 51 5.161 9.920 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.456 7.930 -9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.546 9.591 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.325 7.858 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.947 7.598 -7.238 1.00 0.00 H new ATOM 861 N ASN A 61 -1.326 7.795 -15.448 1.00 0.00 N ATOM 862 CA ASN A 61 -1.731 7.031 -16.623 1.00 0.00 C ATOM 863 C ASN A 61 -1.410 5.550 -16.446 1.00 0.00 C ATOM 864 O ASN A 61 -0.401 5.190 -15.840 1.00 0.00 O ATOM 865 CB ASN A 61 -1.034 7.570 -17.873 1.00 0.00 C ATOM 866 CG ASN A 61 0.442 7.835 -17.643 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.811 8.736 -16.890 1.00 0.00 O ATOM 868 ND2 ASN A 61 1.293 7.050 -18.294 1.00 0.00 N ATOM 0 HA ASN A 61 -2.809 7.139 -16.742 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.149 6.854 -18.687 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.521 8.493 -18.188 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.298 7.182 -18.180 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.942 6.315 -18.908 1.00 0.00 H new ATOM 875 N CYS A 62 -2.276 4.695 -16.980 1.00 0.00 N ATOM 876 CA CYS A 62 -2.086 3.253 -16.883 1.00 0.00 C ATOM 877 C CYS A 62 -1.123 2.757 -17.957 1.00 0.00 C ATOM 878 O CYS A 62 -1.247 3.085 -19.137 1.00 0.00 O ATOM 879 CB CYS A 62 -3.429 2.530 -17.013 1.00 0.00 C ATOM 880 SG CYS A 62 -3.421 0.825 -16.373 1.00 0.00 S ATOM 0 H CYS A 62 -3.117 4.976 -17.485 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.656 3.034 -15.906 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.190 3.102 -16.483 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.719 2.511 -18.064 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.623 0.494 -16.005 1.00 0.00 H new ATOM 885 N PRO A 63 -0.139 1.946 -17.541 1.00 0.00 N ATOM 886 CA PRO A 63 0.865 1.387 -18.452 1.00 0.00 C ATOM 887 C PRO A 63 0.274 0.346 -19.396 1.00 0.00 C ATOM 888 O PRO A 63 1.000 -0.325 -20.130 1.00 0.00 O ATOM 889 CB PRO A 63 1.878 0.737 -17.507 1.00 0.00 C ATOM 890 CG PRO A 63 1.102 0.426 -16.274 1.00 0.00 C ATOM 891 CD PRO A 63 0.070 1.512 -16.149 1.00 0.00 C ATOM 0 HA PRO A 63 1.295 2.149 -19.102 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.304 -0.166 -17.944 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.708 1.410 -17.293 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.630 -0.554 -16.347 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.752 0.403 -15.399 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.852 1.141 -15.701 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.422 2.331 -15.521 1.00 0.00 H new ATOM 899 N VAL A 64 -1.049 0.216 -19.374 1.00 0.00 N ATOM 900 CA VAL A 64 -1.738 -0.743 -20.229 1.00 0.00 C ATOM 901 C VAL A 64 -2.782 -0.052 -21.099 1.00 0.00 C ATOM 902 O VAL A 64 -2.718 -0.105 -22.327 1.00 0.00 O ATOM 903 CB VAL A 64 -2.424 -1.845 -19.400 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.051 -2.888 -20.312 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.430 -2.488 -18.445 1.00 0.00 C ATOM 0 H VAL A 64 -1.665 0.763 -18.773 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.981 -1.199 -20.867 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.219 -1.390 -18.809 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.531 -3.658 -19.708 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.795 -2.412 -20.951 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.277 -3.342 -20.931 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.931 -3.264 -17.867 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.612 -2.930 -19.014 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.033 -1.731 -17.769 1.00 0.00 H new ATOM 915 N CYS A 65 -3.745 0.598 -20.453 1.00 0.00 N ATOM 916 CA CYS A 65 -4.805 1.300 -21.166 1.00 0.00 C ATOM 917 C CYS A 65 -4.697 2.808 -20.954 1.00 0.00 C ATOM 918 O CYS A 65 -5.633 3.554 -21.241 1.00 0.00 O ATOM 919 CB CYS A 65 -6.176 0.806 -20.701 1.00 0.00 C ATOM 920 SG CYS A 65 -6.461 0.982 -18.910 1.00 0.00 S ATOM 0 H CYS A 65 -3.813 0.653 -19.437 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.693 1.091 -22.230 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.950 1.356 -21.237 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.284 -0.244 -20.974 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.319 1.046 -18.293 1.00 0.00 H new ATOM 925 N ARG A 66 -3.548 3.247 -20.451 1.00 0.00 N ATOM 926 CA ARG A 66 -3.317 4.665 -20.199 1.00 0.00 C ATOM 927 C ARG A 66 -4.590 5.343 -19.701 1.00 0.00 C ATOM 928 O ARG A 66 -4.912 6.459 -20.109 1.00 0.00 O ATOM 929 CB ARG A 66 -2.823 5.356 -21.471 1.00 0.00 C ATOM 930 CG ARG A 66 -1.321 5.249 -21.677 1.00 0.00 C ATOM 931 CD ARG A 66 -0.937 3.917 -22.302 1.00 0.00 C ATOM 932 NE ARG A 66 0.509 3.713 -22.312 1.00 0.00 N ATOM 933 CZ ARG A 66 1.312 4.194 -23.255 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.813 4.904 -24.257 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.618 3.966 -23.195 1.00 0.00 N ATOM 0 H ARG A 66 -2.763 2.642 -20.210 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.553 4.752 -19.426 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.331 4.921 -22.332 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.102 6.409 -21.434 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.982 6.063 -22.317 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.812 5.363 -20.720 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.413 3.107 -21.750 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.316 3.873 -23.323 1.00 0.00 H new ATOM 0 HE ARG A 66 0.925 3.172 -21.554 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.190 5.082 -24.306 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.432 5.272 -24.979 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.006 3.421 -22.425 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.234 4.335 -23.919 1.00 0.00 H new ATOM 949 N VAL A 67 -5.311 4.660 -18.817 1.00 0.00 N ATOM 950 CA VAL A 67 -6.549 5.197 -18.263 1.00 0.00 C ATOM 951 C VAL A 67 -6.283 5.982 -16.983 1.00 0.00 C ATOM 952 O VAL A 67 -5.564 5.534 -16.089 1.00 0.00 O ATOM 953 CB VAL A 67 -7.562 4.076 -17.963 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.109 3.252 -16.768 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.946 4.659 -17.726 1.00 0.00 C ATOM 0 H VAL A 67 -5.060 3.735 -18.469 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.969 5.865 -19.015 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.614 3.416 -18.829 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.837 2.465 -16.571 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.139 2.803 -16.982 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.026 3.896 -15.893 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.649 3.853 -17.516 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.913 5.342 -16.877 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.270 5.200 -18.615 1.00 0.00 H new ATOM 965 N PRO A 68 -6.876 7.181 -16.891 1.00 0.00 N ATOM 966 CA PRO A 68 -6.719 8.054 -15.724 1.00 0.00 C ATOM 967 C PRO A 68 -7.422 7.502 -14.488 1.00 0.00 C ATOM 968 O PRO A 68 -8.648 7.543 -14.390 1.00 0.00 O ATOM 969 CB PRO A 68 -7.372 9.364 -16.170 1.00 0.00 C ATOM 970 CG PRO A 68 -8.352 8.961 -17.217 1.00 0.00 C ATOM 971 CD PRO A 68 -7.746 7.777 -17.919 1.00 0.00 C ATOM 0 HA PRO A 68 -5.674 8.160 -15.433 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.866 9.864 -15.337 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.633 10.060 -16.566 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.313 8.701 -16.773 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.534 9.778 -17.916 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.509 7.075 -18.256 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.179 8.079 -18.800 1.00 0.00 H new ATOM 979 N TYR A 69 -6.638 6.987 -13.548 1.00 0.00 N ATOM 980 CA TYR A 69 -7.186 6.425 -12.319 1.00 0.00 C ATOM 981 C TYR A 69 -6.815 7.284 -11.114 1.00 0.00 C ATOM 982 O TYR A 69 -5.704 7.803 -11.008 1.00 0.00 O ATOM 983 CB TYR A 69 -6.678 4.996 -12.117 1.00 0.00 C ATOM 984 CG TYR A 69 -5.172 4.894 -12.036 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.403 4.754 -13.185 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.517 4.939 -10.811 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.027 4.660 -13.116 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.141 4.847 -10.733 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.400 4.707 -11.888 1.00 0.00 C ATOM 990 OH TYR A 69 -1.029 4.615 -11.816 1.00 0.00 O ATOM 0 H TYR A 69 -5.621 6.947 -13.613 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.272 6.409 -12.409 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.111 4.592 -11.202 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.032 4.374 -12.939 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.890 4.718 -14.148 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.094 5.048 -9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.445 4.550 -14.019 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.648 4.884 -9.773 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.746 4.666 -10.879 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.768 7.438 -10.183 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.566 8.232 -8.968 1.00 0.00 C ATOM 1002 C PRO A 70 -6.589 7.573 -8.000 1.00 0.00 C ATOM 1003 O PRO A 70 -6.894 6.543 -7.399 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.965 8.299 -8.351 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.664 7.088 -8.865 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.115 6.847 -10.244 1.00 0.00 C ATOM 0 HA PRO A 70 -7.134 9.209 -9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.918 8.297 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.484 9.211 -8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.484 6.230 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.742 7.244 -8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.077 5.784 -10.481 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.728 7.323 -11.009 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.412 8.173 -7.854 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.390 7.644 -6.959 1.00 0.00 C ATOM 1016 C PHE A 71 -4.934 7.489 -5.542 1.00 0.00 C ATOM 1017 O PHE A 71 -5.697 8.327 -5.063 1.00 0.00 O ATOM 1018 CB PHE A 71 -3.166 8.562 -6.949 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.890 7.857 -6.585 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.466 6.750 -7.303 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.117 8.300 -5.525 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.292 6.099 -6.971 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.058 7.653 -5.188 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.470 6.551 -5.912 1.00 0.00 C ATOM 0 H PHE A 71 -5.143 9.026 -8.344 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.096 6.661 -7.326 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.053 9.015 -7.934 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.337 9.374 -6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.059 6.392 -8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.435 9.160 -4.955 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.028 5.238 -7.539 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.653 8.009 -4.360 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.387 6.044 -5.650 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.537 6.408 -4.876 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.995 6.161 -3.522 1.00 0.00 C ATOM 1036 C GLY A 72 -6.087 5.112 -3.461 1.00 0.00 C ATOM 1037 O GLY A 72 -6.152 4.329 -2.514 1.00 0.00 O ATOM 0 H GLY A 72 -3.906 5.699 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.152 5.840 -2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.365 7.092 -3.092 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.948 5.097 -4.473 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.044 4.137 -4.530 1.00 0.00 C ATOM 1043 C ASN A 73 -7.561 2.790 -5.056 1.00 0.00 C ATOM 1044 O ASN A 73 -8.185 2.194 -5.936 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.171 4.670 -5.418 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.872 5.868 -4.807 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -9.783 6.105 -3.602 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.574 6.629 -5.637 1.00 0.00 N ATOM 0 H ASN A 73 -6.908 5.739 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.423 3.996 -3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.763 4.948 -6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.898 3.877 -5.592 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.068 7.449 -5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.620 6.394 -6.629 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.446 2.314 -4.512 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.878 1.035 -4.926 1.00 0.00 C ATOM 1057 C LEU A 74 -5.896 0.034 -3.776 1.00 0.00 C ATOM 1058 O LEU A 74 -5.430 0.328 -2.675 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.446 1.229 -5.427 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.269 2.199 -6.596 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.847 2.738 -6.631 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.616 1.518 -7.911 1.00 0.00 C ATOM 0 H LEU A 74 -5.917 2.794 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.489 0.639 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.836 1.579 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.052 0.257 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.950 3.038 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.739 3.426 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.634 3.263 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.147 1.911 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.484 2.223 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.960 0.660 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.653 1.182 -7.884 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.435 -1.152 -4.039 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.510 -2.200 -3.027 1.00 0.00 C ATOM 1076 C LYS A 75 -5.522 -3.321 -3.331 1.00 0.00 C ATOM 1077 O LYS A 75 -5.147 -3.556 -4.480 1.00 0.00 O ATOM 1078 CB LYS A 75 -7.931 -2.764 -2.953 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.973 -1.737 -2.544 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.374 -2.324 -2.566 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.288 -1.623 -1.573 1.00 0.00 C ATOM 1082 NZ LYS A 75 -11.192 -2.224 -0.213 1.00 0.00 N ATOM 0 H LYS A 75 -6.826 -1.412 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.249 -1.761 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.201 -3.175 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.948 -3.590 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.748 -1.368 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.926 -0.881 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.790 -2.237 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.328 -3.387 -2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.027 -0.566 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.318 -1.681 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.829 -1.719 0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.465 -3.227 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.214 -2.146 0.133 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.091 -4.032 -2.278 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.142 -5.142 -2.408 1.00 0.00 C ATOM 1098 C PRO A 76 -4.759 -6.354 -3.098 1.00 0.00 C ATOM 1099 O PRO A 76 -5.849 -6.796 -2.739 1.00 0.00 O ATOM 1100 CB PRO A 76 -3.787 -5.476 -0.957 1.00 0.00 C ATOM 1101 CG PRO A 76 -4.960 -5.015 -0.164 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.496 -3.807 -0.881 1.00 0.00 C ATOM 0 HA PRO A 76 -3.282 -4.874 -3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.617 -6.545 -0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.874 -4.968 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.717 -5.796 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.668 -4.766 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.579 -3.730 -0.784 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.074 -2.884 -0.484 1.00 0.00 H new