USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 739 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 48 MET CE :methyl -166:sc= -1.02 (180deg=-1.17) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.108 K(o=-1.1,f=-10!) USER MOD Set 2.1: A 10 LYS NZ :NH3+ -148:sc= 0.33 (180deg=0) USER MOD Set 2.2: A 12 GLN : amide:sc= -2.11 K(o=-1.8,f=-9.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.598 F(o=-2,f=-0.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 99:sc= 0.588 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= 1.2 (180deg=0.493) USER MOD Single : A 31 TYR OH : rot -150:sc= 0.901 USER MOD Single : A 44 HIS : no HE2:sc= -0.804 K(o=-0.8,f=-7.9!) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0.889 (180deg=0.864) USER MOD Single : A 49 ASN : amide:sc= -0.0163 X(o=-0.016,f=-0.016) USER MOD Single : A 50 MET CE :methyl -142:sc= -0.977 (180deg=-3.23) USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= 1.1 (180deg=0.626) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc=-0.00659 (180deg=-0.0896) USER MOD Single : A 75 GLN : amide:sc=-0.00225 X(o=-0.0022,f=-0.46) USER MOD Single : A 78 GLN : amide:sc= 0.143 K(o=0.14,f=-0.97) USER MOD Single : A 80 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0.00226 (180deg=0.0016) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.734 X(o=-0.73,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.734 20.617 13.550 1.00 0.00 N ATOM 21 CA PHE A 2 -29.811 19.686 12.897 1.00 0.00 C ATOM 22 C PHE A 2 -29.497 18.538 13.867 1.00 0.00 C ATOM 23 O PHE A 2 -30.121 17.487 13.768 1.00 0.00 O ATOM 24 CB PHE A 2 -28.570 20.395 12.308 1.00 0.00 C ATOM 25 CG PHE A 2 -28.863 21.740 11.665 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.495 21.811 10.408 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.556 22.928 12.359 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.840 23.062 9.864 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.907 24.173 11.819 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.558 24.241 10.578 1.00 0.00 C ATOM 0 HA PHE A 2 -30.286 19.249 12.019 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -27.837 20.537 13.102 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.112 19.742 11.565 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.715 20.905 9.862 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.048 22.879 13.311 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.321 23.117 8.899 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.676 25.080 12.358 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.843 25.200 10.170 1.00 0.00 H new ATOM 40 N THR A 3 -28.620 18.792 14.846 1.00 0.00 N ATOM 41 CA THR A 3 -28.292 17.972 16.006 1.00 0.00 C ATOM 42 C THR A 3 -27.750 16.583 15.624 1.00 0.00 C ATOM 43 O THR A 3 -28.504 15.646 15.354 1.00 0.00 O ATOM 44 CB THR A 3 -29.493 17.885 16.951 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.020 19.165 17.256 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.123 17.190 18.268 1.00 0.00 C ATOM 0 H THR A 3 -28.076 19.655 14.841 1.00 0.00 H new ATOM 0 HA THR A 3 -27.476 18.464 16.535 1.00 0.00 H new ATOM 0 HB THR A 3 -30.247 17.300 16.425 1.00 0.00 H new ATOM 0 HG1 THR A 3 -30.786 19.068 17.860 1.00 0.00 H new ATOM 0 HG21 THR A 3 -29.999 17.146 18.915 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.774 16.179 18.060 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.332 17.751 18.766 1.00 0.00 H new ATOM 54 N ILE A 4 -26.422 16.447 15.622 1.00 0.00 N ATOM 55 CA ILE A 4 -25.731 15.327 15.008 1.00 0.00 C ATOM 56 C ILE A 4 -25.324 14.364 16.119 1.00 0.00 C ATOM 57 O ILE A 4 -24.266 14.490 16.724 1.00 0.00 O ATOM 58 CB ILE A 4 -24.544 15.782 14.124 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.482 17.274 13.755 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.502 14.923 12.860 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.669 17.844 12.973 1.00 0.00 C ATOM 0 H ILE A 4 -25.794 17.125 16.054 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.396 14.810 14.316 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.663 15.638 14.749 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.376 17.847 14.676 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.578 17.441 13.169 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.668 15.239 12.233 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.373 13.876 13.136 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.435 15.041 12.309 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.501 18.903 12.777 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.771 17.312 12.027 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.581 17.724 13.557 1.00 0.00 H new ATOM 73 N ASN A 5 -26.210 13.426 16.445 1.00 0.00 N ATOM 74 CA ASN A 5 -26.032 12.543 17.579 1.00 0.00 C ATOM 75 C ASN A 5 -24.798 11.666 17.336 1.00 0.00 C ATOM 76 O ASN A 5 -24.777 10.897 16.370 1.00 0.00 O ATOM 77 CB ASN A 5 -27.306 11.726 17.828 1.00 0.00 C ATOM 78 CG ASN A 5 -28.481 12.532 18.395 1.00 0.00 C ATOM 79 OD1 ASN A 5 -28.813 13.691 17.823 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.098 12.114 19.368 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.072 13.262 15.924 1.00 0.00 H new ATOM 0 HA ASN A 5 -25.859 13.120 18.487 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.617 11.267 16.889 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.073 10.915 18.518 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -28.834 11.227 19.796 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -29.875 12.654 19.749 1.00 0.00 H new ATOM 87 N ALA A 6 -23.774 11.821 18.188 1.00 0.00 N ATOM 88 CA ALA A 6 -22.524 11.075 18.151 1.00 0.00 C ATOM 89 C ALA A 6 -22.381 10.322 19.482 1.00 0.00 C ATOM 90 O ALA A 6 -23.347 10.119 20.219 1.00 0.00 O ATOM 91 CB ALA A 6 -21.329 12.018 17.850 1.00 0.00 C ATOM 0 H ALA A 6 -23.803 12.499 18.950 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.530 10.345 17.342 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.406 11.439 17.827 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.480 12.499 16.884 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.261 12.779 18.628 1.00 0.00 H new ATOM 97 N GLU A 7 -21.158 9.910 19.790 1.00 0.00 N ATOM 98 CA GLU A 7 -20.677 9.459 21.083 1.00 0.00 C ATOM 99 C GLU A 7 -19.176 9.750 21.057 1.00 0.00 C ATOM 100 O GLU A 7 -18.548 9.659 20.005 1.00 0.00 O ATOM 101 CB GLU A 7 -21.008 7.970 21.310 1.00 0.00 C ATOM 102 CG GLU A 7 -20.377 7.049 20.258 1.00 0.00 C ATOM 103 CD GLU A 7 -20.994 5.645 20.230 1.00 0.00 C ATOM 104 OE1 GLU A 7 -20.834 4.928 21.242 1.00 0.00 O ATOM 105 OE2 GLU A 7 -21.608 5.299 19.191 1.00 0.00 O ATOM 0 H GLU A 7 -20.422 9.882 19.085 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.156 9.969 21.919 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.661 7.673 22.300 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.090 7.838 21.298 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.486 7.505 19.274 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.308 6.964 20.454 1.00 0.00 H new ATOM 112 N VAL A 8 -18.592 10.141 22.186 1.00 0.00 N ATOM 113 CA VAL A 8 -17.164 10.436 22.259 1.00 0.00 C ATOM 114 C VAL A 8 -16.348 9.176 22.004 1.00 0.00 C ATOM 115 O VAL A 8 -16.719 8.078 22.421 1.00 0.00 O ATOM 116 CB VAL A 8 -16.804 11.055 23.618 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.253 12.512 23.633 1.00 0.00 C ATOM 118 CG2 VAL A 8 -17.451 10.319 24.795 1.00 0.00 C ATOM 0 H VAL A 8 -19.089 10.262 23.068 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.923 11.164 21.484 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.724 10.973 23.739 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.002 12.960 24.594 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.748 13.057 22.835 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.331 12.562 23.480 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.161 10.801 25.729 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.536 10.350 24.692 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.117 9.281 24.803 1.00 0.00 H new ATOM 128 N ARG A 9 -15.211 9.373 21.336 1.00 0.00 N ATOM 129 CA ARG A 9 -14.233 8.314 21.109 1.00 0.00 C ATOM 130 C ARG A 9 -12.808 8.833 21.268 1.00 0.00 C ATOM 131 O ARG A 9 -12.568 10.017 21.060 1.00 0.00 O ATOM 132 CB ARG A 9 -14.469 7.640 19.763 1.00 0.00 C ATOM 133 CG ARG A 9 -14.430 8.646 18.626 1.00 0.00 C ATOM 134 CD ARG A 9 -14.039 7.998 17.311 1.00 0.00 C ATOM 135 NE ARG A 9 -13.781 9.099 16.403 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.701 9.240 15.615 1.00 0.00 C ATOM 137 NH1 ARG A 9 -11.953 8.175 15.312 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.357 10.439 15.130 1.00 0.00 N ATOM 0 H ARG A 9 -14.944 10.273 20.937 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.367 7.549 21.874 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.711 6.874 19.600 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.435 7.135 19.771 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.408 9.115 18.523 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.720 9.438 18.866 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.156 7.371 17.429 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.837 7.357 16.936 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.485 9.836 16.358 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.202 7.256 15.678 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.133 8.281 14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.917 11.261 15.357 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.535 10.531 14.533 1.00 0.00 H new ATOM 152 N LYS A 10 -11.863 7.936 21.575 1.00 0.00 N ATOM 153 CA LYS A 10 -10.418 8.170 21.519 1.00 0.00 C ATOM 154 C LYS A 10 -9.635 6.988 20.917 1.00 0.00 C ATOM 155 O LYS A 10 -8.439 7.111 20.669 1.00 0.00 O ATOM 156 CB LYS A 10 -9.882 8.566 22.901 1.00 0.00 C ATOM 157 CG LYS A 10 -10.213 10.011 23.322 1.00 0.00 C ATOM 158 CD LYS A 10 -9.471 11.112 22.535 1.00 0.00 C ATOM 159 CE LYS A 10 -10.200 11.664 21.296 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.346 12.629 20.570 1.00 0.00 N ATOM 0 H LYS A 10 -12.095 6.991 21.881 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.258 9.004 20.836 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.289 7.881 23.645 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.800 8.437 22.908 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.286 10.168 23.211 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.982 10.126 24.381 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.269 11.942 23.213 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.506 10.717 22.218 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.473 10.843 20.633 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.127 12.149 21.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.943 13.355 20.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.689 13.081 21.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.805 12.130 19.836 1.00 0.00 H new ATOM 174 N GLU A 11 -10.315 5.877 20.615 1.00 0.00 N ATOM 175 CA GLU A 11 -9.831 4.659 19.952 1.00 0.00 C ATOM 176 C GLU A 11 -9.424 4.839 18.469 1.00 0.00 C ATOM 177 O GLU A 11 -9.306 3.846 17.749 1.00 0.00 O ATOM 178 CB GLU A 11 -10.869 3.513 20.136 1.00 0.00 C ATOM 179 CG GLU A 11 -12.361 3.890 20.273 1.00 0.00 C ATOM 180 CD GLU A 11 -12.822 4.148 21.706 1.00 0.00 C ATOM 181 OE1 GLU A 11 -12.684 5.313 22.143 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.364 3.201 22.322 1.00 0.00 O ATOM 0 H GLU A 11 -11.305 5.799 20.848 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.897 4.392 20.447 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.774 2.838 19.285 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.586 2.948 21.024 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.553 4.782 19.677 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.965 3.088 19.850 1.00 0.00 H new ATOM 189 N GLN A 12 -9.227 6.079 17.991 1.00 0.00 N ATOM 190 CA GLN A 12 -8.981 6.405 16.578 1.00 0.00 C ATOM 191 C GLN A 12 -7.929 5.516 15.927 1.00 0.00 C ATOM 192 O GLN A 12 -8.185 5.055 14.819 1.00 0.00 O ATOM 193 CB GLN A 12 -8.609 7.877 16.321 1.00 0.00 C ATOM 194 CG GLN A 12 -8.041 8.704 17.472 1.00 0.00 C ATOM 195 CD GLN A 12 -9.098 9.313 18.403 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.753 10.126 19.248 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.387 8.969 18.300 1.00 0.00 N ATOM 0 H GLN A 12 -9.235 6.903 18.593 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.949 6.214 16.114 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.881 7.897 15.510 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.503 8.385 15.959 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.376 8.073 18.062 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.433 9.509 17.059 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.679 8.291 17.596 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.077 9.385 18.925 1.00 0.00 H new ATOM 206 N GLY A 13 -6.812 5.276 16.633 1.00 0.00 N ATOM 207 CA GLY A 13 -5.660 4.451 16.254 1.00 0.00 C ATOM 208 C GLY A 13 -5.986 3.450 15.149 1.00 0.00 C ATOM 209 O GLY A 13 -5.468 3.547 14.041 1.00 0.00 O ATOM 0 H GLY A 13 -6.684 5.688 17.557 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.848 5.099 15.923 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.301 3.913 17.131 1.00 0.00 H new ATOM 213 N LYS A 14 -6.879 2.497 15.439 1.00 0.00 N ATOM 214 CA LYS A 14 -7.605 1.792 14.382 1.00 0.00 C ATOM 215 C LYS A 14 -8.887 1.130 14.896 1.00 0.00 C ATOM 216 O LYS A 14 -9.761 0.828 14.085 1.00 0.00 O ATOM 217 CB LYS A 14 -6.707 0.775 13.636 1.00 0.00 C ATOM 218 CG LYS A 14 -6.620 1.074 12.131 1.00 0.00 C ATOM 219 CD LYS A 14 -6.283 -0.181 11.321 1.00 0.00 C ATOM 220 CE LYS A 14 -6.004 0.184 9.860 1.00 0.00 C ATOM 221 NZ LYS A 14 -4.606 0.558 9.624 1.00 0.00 N ATOM 0 H LYS A 14 -7.113 2.200 16.386 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.904 2.552 13.661 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.706 0.792 14.067 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.100 -0.231 13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.569 1.485 11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.860 1.835 11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.412 -0.676 11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.110 -0.889 11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.261 -0.663 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.651 1.011 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.475 0.795 8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.364 1.383 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.986 -0.238 9.876 1.00 0.00 H new ATOM 235 N GLY A 15 -9.023 0.934 16.217 1.00 0.00 N ATOM 236 CA GLY A 15 -10.160 0.275 16.848 1.00 0.00 C ATOM 237 C GLY A 15 -11.478 0.994 16.573 1.00 0.00 C ATOM 238 O GLY A 15 -12.465 0.342 16.232 1.00 0.00 O ATOM 0 H GLY A 15 -8.320 1.242 16.889 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.227 -0.751 16.487 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.995 0.224 17.924 1.00 0.00 H new ATOM 242 N ALA A 16 -11.486 2.332 16.674 1.00 0.00 N ATOM 243 CA ALA A 16 -12.628 3.163 16.318 1.00 0.00 C ATOM 244 C ALA A 16 -12.883 3.112 14.815 1.00 0.00 C ATOM 245 O ALA A 16 -14.022 3.004 14.370 1.00 0.00 O ATOM 246 CB ALA A 16 -12.400 4.617 16.707 1.00 0.00 C ATOM 0 H ALA A 16 -10.685 2.866 17.010 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.487 2.770 16.862 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.271 5.209 16.427 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.245 4.686 17.784 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.520 4.999 16.189 1.00 0.00 H new ATOM 252 N SER A 17 -11.809 3.216 14.032 1.00 0.00 N ATOM 253 CA SER A 17 -11.894 3.396 12.586 1.00 0.00 C ATOM 254 C SER A 17 -12.571 2.203 11.899 1.00 0.00 C ATOM 255 O SER A 17 -13.228 2.383 10.873 1.00 0.00 O ATOM 256 CB SER A 17 -10.493 3.660 12.020 1.00 0.00 C ATOM 257 OG SER A 17 -10.001 4.867 12.565 1.00 0.00 O ATOM 0 H SER A 17 -10.853 3.177 14.386 1.00 0.00 H new ATOM 0 HA SER A 17 -12.524 4.261 12.380 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.825 2.835 12.266 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.531 3.725 10.933 1.00 0.00 H new ATOM 0 HG SER A 17 -9.395 4.667 13.309 1.00 0.00 H new ATOM 263 N ARG A 18 -12.480 1.006 12.500 1.00 0.00 N ATOM 264 CA ARG A 18 -13.104 -0.209 12.012 1.00 0.00 C ATOM 265 C ARG A 18 -14.528 -0.351 12.535 1.00 0.00 C ATOM 266 O ARG A 18 -15.364 -0.733 11.731 1.00 0.00 O ATOM 267 CB ARG A 18 -12.215 -1.452 12.228 1.00 0.00 C ATOM 268 CG ARG A 18 -11.803 -1.799 13.670 1.00 0.00 C ATOM 269 CD ARG A 18 -12.810 -2.621 14.482 1.00 0.00 C ATOM 270 NE ARG A 18 -12.950 -3.998 13.972 1.00 0.00 N ATOM 271 CZ ARG A 18 -13.128 -5.096 14.727 1.00 0.00 C ATOM 272 NH1 ARG A 18 -13.320 -4.989 16.047 1.00 0.00 N ATOM 273 NH2 ARG A 18 -13.100 -6.307 14.158 1.00 0.00 N ATOM 0 H ARG A 18 -11.953 0.865 13.362 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.199 -0.129 10.929 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.738 -2.314 11.813 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.305 -1.319 11.643 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.862 -2.348 13.635 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.610 -0.869 14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.493 -2.653 15.524 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.781 -2.127 14.459 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.908 -4.128 12.961 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.332 -4.069 16.488 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.454 -5.827 16.612 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.944 -6.395 13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.235 -7.142 14.728 1.00 0.00 H new ATOM 287 N ARG A 19 -14.855 -0.009 13.797 1.00 0.00 N ATOM 288 CA ARG A 19 -16.250 -0.075 14.275 1.00 0.00 C ATOM 289 C ARG A 19 -17.133 0.920 13.511 1.00 0.00 C ATOM 290 O ARG A 19 -18.300 0.622 13.259 1.00 0.00 O ATOM 291 CB ARG A 19 -16.384 0.141 15.803 1.00 0.00 C ATOM 292 CG ARG A 19 -15.756 1.464 16.247 1.00 0.00 C ATOM 293 CD ARG A 19 -16.122 2.065 17.595 1.00 0.00 C ATOM 294 NE ARG A 19 -15.598 1.329 18.749 1.00 0.00 N ATOM 295 CZ ARG A 19 -15.430 1.891 19.959 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.901 3.118 20.225 1.00 0.00 N ATOM 297 NH2 ARG A 19 -14.757 1.230 20.906 1.00 0.00 N ATOM 0 H ARG A 19 -14.183 0.311 14.495 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.595 -1.089 14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.438 0.128 16.081 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.905 -0.684 16.330 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.674 1.330 16.235 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.993 2.207 15.486 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.752 3.090 17.635 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.208 2.115 17.674 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.350 0.347 18.629 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.397 3.642 19.503 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.764 3.528 21.149 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.375 0.305 20.709 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.626 1.650 21.826 1.00 0.00 H new ATOM 311 N LEU A 20 -16.573 2.079 13.128 1.00 0.00 N ATOM 312 CA LEU A 20 -17.277 3.149 12.459 1.00 0.00 C ATOM 313 C LEU A 20 -17.691 2.655 11.085 1.00 0.00 C ATOM 314 O LEU A 20 -18.885 2.464 10.852 1.00 0.00 O ATOM 315 CB LEU A 20 -16.385 4.402 12.413 1.00 0.00 C ATOM 316 CG LEU A 20 -16.390 5.111 13.779 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.164 5.981 14.031 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.571 6.053 13.947 1.00 0.00 C ATOM 0 H LEU A 20 -15.588 2.289 13.287 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.181 3.435 12.997 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.366 4.122 12.145 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.742 5.083 11.641 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.425 4.276 14.479 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.243 6.446 15.014 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -14.266 5.364 13.993 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.105 6.756 13.267 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.523 6.525 14.928 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.538 6.820 13.173 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.500 5.490 13.860 1.00 0.00 H new ATOM 330 N ARG A 21 -16.715 2.385 10.206 1.00 0.00 N ATOM 331 CA ARG A 21 -17.007 1.880 8.871 1.00 0.00 C ATOM 332 C ARG A 21 -17.728 0.537 8.890 1.00 0.00 C ATOM 333 O ARG A 21 -18.490 0.266 7.962 1.00 0.00 O ATOM 334 CB ARG A 21 -15.738 1.869 8.001 1.00 0.00 C ATOM 335 CG ARG A 21 -14.676 0.833 8.409 1.00 0.00 C ATOM 336 CD ARG A 21 -14.838 -0.531 7.728 1.00 0.00 C ATOM 337 NE ARG A 21 -13.728 -1.427 8.082 1.00 0.00 N ATOM 338 CZ ARG A 21 -13.631 -2.726 7.753 1.00 0.00 C ATOM 339 NH1 ARG A 21 -14.600 -3.333 7.059 1.00 0.00 N ATOM 340 NH2 ARG A 21 -12.549 -3.420 8.120 1.00 0.00 N ATOM 0 H ARG A 21 -15.722 2.510 10.402 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.711 2.571 8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.027 1.682 6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.287 2.861 8.032 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.688 1.229 8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.715 0.695 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.784 -0.982 8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.875 -0.400 6.646 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.963 -1.027 8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.427 -2.809 6.772 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.512 -4.320 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.804 -2.963 8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.468 -4.407 7.874 1.00 0.00 H new ATOM 354 N ALA A 22 -17.543 -0.277 9.942 1.00 0.00 N ATOM 355 CA ALA A 22 -18.272 -1.540 10.042 1.00 0.00 C ATOM 356 C ALA A 22 -19.776 -1.356 10.285 1.00 0.00 C ATOM 357 O ALA A 22 -20.543 -2.270 9.985 1.00 0.00 O ATOM 358 CB ALA A 22 -17.689 -2.397 11.158 1.00 0.00 C ATOM 0 H ALA A 22 -16.908 -0.085 10.717 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.156 -2.034 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -18.241 -3.335 11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.641 -2.606 10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.768 -1.864 12.105 1.00 0.00 H new ATOM 364 N ALA A 23 -20.202 -0.195 10.800 1.00 0.00 N ATOM 365 CA ALA A 23 -21.588 0.115 11.125 1.00 0.00 C ATOM 366 C ALA A 23 -22.106 1.308 10.336 1.00 0.00 C ATOM 367 O ALA A 23 -23.105 1.906 10.743 1.00 0.00 O ATOM 368 CB ALA A 23 -21.712 0.397 12.617 1.00 0.00 C ATOM 0 H ALA A 23 -19.565 0.575 11.006 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.193 -0.750 10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.749 0.629 12.859 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.396 -0.481 13.181 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.080 1.245 12.881 1.00 0.00 H new ATOM 374 N ASN A 24 -21.441 1.669 9.226 1.00 0.00 N ATOM 375 CA ASN A 24 -21.854 2.766 8.361 1.00 0.00 C ATOM 376 C ASN A 24 -21.779 4.139 9.056 1.00 0.00 C ATOM 377 O ASN A 24 -22.258 5.138 8.519 1.00 0.00 O ATOM 378 CB ASN A 24 -23.238 2.433 7.774 1.00 0.00 C ATOM 379 CG ASN A 24 -23.125 1.862 6.365 1.00 0.00 C ATOM 380 OD1 ASN A 24 -23.380 2.547 5.378 1.00 0.00 O ATOM 381 ND2 ASN A 24 -22.720 0.597 6.266 1.00 0.00 N ATOM 0 H ASN A 24 -20.594 1.197 8.908 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.149 2.863 7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.745 1.715 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.852 3.333 7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.612 0.166 5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -22.517 0.059 7.109 1.00 0.00 H new ATOM 388 N LYS A 25 -21.143 4.202 10.231 1.00 0.00 N ATOM 389 CA LYS A 25 -20.728 5.423 10.882 1.00 0.00 C ATOM 390 C LYS A 25 -19.371 5.814 10.284 1.00 0.00 C ATOM 391 O LYS A 25 -18.777 5.070 9.500 1.00 0.00 O ATOM 392 CB LYS A 25 -20.684 5.161 12.401 1.00 0.00 C ATOM 393 CG LYS A 25 -22.035 4.667 12.964 1.00 0.00 C ATOM 394 CD LYS A 25 -22.534 5.367 14.238 1.00 0.00 C ATOM 395 CE LYS A 25 -21.545 5.270 15.399 1.00 0.00 C ATOM 396 NZ LYS A 25 -21.467 3.926 16.007 1.00 0.00 N ATOM 0 H LYS A 25 -20.900 3.367 10.764 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.414 6.255 10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.914 4.420 12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.395 6.078 12.915 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.793 4.784 12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.951 3.600 13.169 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.725 6.417 14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -23.484 4.926 14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.555 5.556 15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.829 5.990 16.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.479 3.711 16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.048 3.901 16.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.819 3.218 15.331 1.00 0.00 H new ATOM 410 N PHE A 26 -18.872 6.994 10.637 1.00 0.00 N ATOM 411 CA PHE A 26 -17.552 7.455 10.231 1.00 0.00 C ATOM 412 C PHE A 26 -17.042 8.436 11.304 1.00 0.00 C ATOM 413 O PHE A 26 -17.850 9.030 12.027 1.00 0.00 O ATOM 414 CB PHE A 26 -17.611 8.080 8.822 1.00 0.00 C ATOM 415 CG PHE A 26 -18.041 9.525 8.843 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.289 9.860 9.391 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.130 10.538 8.490 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.580 11.191 9.693 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.443 11.875 8.775 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.638 12.195 9.428 1.00 0.00 C ATOM 0 H PHE A 26 -19.378 7.662 11.218 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.849 6.625 10.160 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.629 8.004 8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.303 7.508 8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.022 9.090 9.578 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.198 10.288 8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.533 11.448 10.132 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.759 12.660 8.489 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.835 13.214 9.728 1.00 0.00 H new ATOM 430 N PRO A 27 -15.720 8.602 11.451 1.00 0.00 N ATOM 431 CA PRO A 27 -15.160 9.488 12.462 1.00 0.00 C ATOM 432 C PRO A 27 -15.397 10.968 12.168 1.00 0.00 C ATOM 433 O PRO A 27 -15.485 11.379 11.012 1.00 0.00 O ATOM 434 CB PRO A 27 -13.665 9.181 12.466 1.00 0.00 C ATOM 435 CG PRO A 27 -13.383 8.566 11.096 1.00 0.00 C ATOM 436 CD PRO A 27 -14.675 7.807 10.823 1.00 0.00 C ATOM 0 HA PRO A 27 -15.639 9.314 13.425 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.077 10.086 12.621 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.406 8.491 13.269 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.187 9.326 10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.517 7.905 11.115 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.851 7.699 9.753 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.638 6.802 11.243 1.00 0.00 H new ATOM 444 N ALA A 28 -15.396 11.774 13.235 1.00 0.00 N ATOM 445 CA ALA A 28 -15.228 13.219 13.162 1.00 0.00 C ATOM 446 C ALA A 28 -14.374 13.725 14.327 1.00 0.00 C ATOM 447 O ALA A 28 -13.950 12.945 15.190 1.00 0.00 O ATOM 448 CB ALA A 28 -16.597 13.908 13.128 1.00 0.00 C ATOM 0 H ALA A 28 -15.514 11.429 14.188 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.702 13.467 12.240 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.460 14.988 13.073 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.154 13.568 12.255 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.153 13.658 14.032 1.00 0.00 H new ATOM 454 N ILE A 29 -14.175 15.050 14.364 1.00 0.00 N ATOM 455 CA ILE A 29 -13.528 15.764 15.461 1.00 0.00 C ATOM 456 C ILE A 29 -14.276 17.058 15.759 1.00 0.00 C ATOM 457 O ILE A 29 -14.960 17.614 14.905 1.00 0.00 O ATOM 458 CB ILE A 29 -12.040 15.983 15.122 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.123 16.536 16.227 1.00 0.00 C ATOM 460 CG2 ILE A 29 -11.863 16.914 13.919 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.024 15.638 17.448 1.00 0.00 C ATOM 0 H ILE A 29 -14.470 15.667 13.608 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.565 15.172 16.376 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.725 14.957 14.932 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.125 16.686 15.816 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.491 17.514 16.536 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.801 17.043 13.712 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.352 16.479 13.047 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.310 17.883 14.140 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.361 16.094 18.183 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.014 15.507 17.885 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.626 14.667 17.154 1.00 0.00 H new ATOM 473 N ILE A 30 -14.095 17.537 16.986 1.00 0.00 N ATOM 474 CA ILE A 30 -14.671 18.763 17.525 1.00 0.00 C ATOM 475 C ILE A 30 -13.497 19.542 18.087 1.00 0.00 C ATOM 476 O ILE A 30 -13.008 19.206 19.162 1.00 0.00 O ATOM 477 CB ILE A 30 -15.777 18.480 18.576 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.037 18.009 17.828 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.044 19.713 19.459 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.213 17.573 18.712 1.00 0.00 C ATOM 0 H ILE A 30 -13.510 17.053 17.668 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.187 19.340 16.758 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.453 17.695 19.260 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.375 18.817 17.179 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.763 17.175 17.182 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -16.824 19.479 20.184 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.130 19.988 19.985 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.367 20.545 18.834 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.046 17.261 18.082 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -17.904 16.740 19.343 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.525 18.408 19.340 1.00 0.00 H new ATOM 492 N TYR A 31 -13.008 20.530 17.337 1.00 0.00 N ATOM 493 CA TYR A 31 -11.692 21.099 17.560 1.00 0.00 C ATOM 494 C TYR A 31 -11.703 22.600 17.766 1.00 0.00 C ATOM 495 O TYR A 31 -12.764 23.217 17.782 1.00 0.00 O ATOM 496 CB TYR A 31 -10.748 20.626 16.458 1.00 0.00 C ATOM 497 CG TYR A 31 -10.847 21.117 15.019 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.188 22.437 14.632 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.404 20.214 14.037 1.00 0.00 C ATOM 500 CE1 TYR A 31 -11.120 22.811 13.277 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.312 20.584 12.692 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.695 21.883 12.301 1.00 0.00 C ATOM 503 OH TYR A 31 -10.688 22.218 10.983 1.00 0.00 O ATOM 0 H TYR A 31 -13.517 20.953 16.561 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.312 20.728 18.512 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.737 20.856 16.795 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.833 19.540 16.422 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.500 23.155 15.376 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.128 19.211 14.328 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.394 23.813 12.982 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.950 19.880 11.958 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.840 21.416 10.441 1.00 0.00 H new ATOM 574 N PRO A 37 -9.238 19.202 21.556 1.00 0.00 N ATOM 575 CA PRO A 37 -10.444 18.841 20.818 1.00 0.00 C ATOM 576 C PRO A 37 -11.114 17.572 21.383 1.00 0.00 C ATOM 577 O PRO A 37 -10.822 17.154 22.505 1.00 0.00 O ATOM 578 CB PRO A 37 -9.919 18.651 19.401 1.00 0.00 C ATOM 579 CG PRO A 37 -8.627 17.921 19.664 1.00 0.00 C ATOM 580 CD PRO A 37 -8.079 18.622 20.893 1.00 0.00 C ATOM 0 HA PRO A 37 -11.233 19.591 20.880 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.603 18.068 18.783 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.759 19.601 18.891 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.794 16.859 19.846 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.943 17.996 18.819 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.562 17.920 21.548 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.358 19.392 20.618 1.00 0.00 H new ATOM 588 N LEU A 38 -12.053 16.983 20.623 1.00 0.00 N ATOM 589 CA LEU A 38 -12.922 15.900 21.079 1.00 0.00 C ATOM 590 C LEU A 38 -13.408 15.079 19.884 1.00 0.00 C ATOM 591 O LEU A 38 -14.292 15.515 19.149 1.00 0.00 O ATOM 592 CB LEU A 38 -14.110 16.509 21.834 1.00 0.00 C ATOM 593 CG LEU A 38 -15.049 15.440 22.433 1.00 0.00 C ATOM 594 CD1 LEU A 38 -14.709 15.273 23.914 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.505 15.877 22.258 1.00 0.00 C ATOM 0 H LEU A 38 -12.228 17.257 19.656 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.371 15.235 21.744 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.737 17.148 22.634 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.678 17.146 21.156 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.916 14.487 21.921 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.363 14.521 24.355 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.671 14.956 24.016 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.850 16.223 24.429 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.165 15.120 22.682 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.664 16.826 22.770 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.724 15.997 21.197 1.00 0.00 H new ATOM 607 N ALA A 39 -12.814 13.905 19.654 1.00 0.00 N ATOM 608 CA ALA A 39 -13.237 13.028 18.567 1.00 0.00 C ATOM 609 C ALA A 39 -14.580 12.393 18.936 1.00 0.00 C ATOM 610 O ALA A 39 -14.772 12.005 20.090 1.00 0.00 O ATOM 611 CB ALA A 39 -12.165 11.974 18.309 1.00 0.00 C ATOM 0 H ALA A 39 -12.038 13.543 20.208 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.367 13.597 17.646 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.485 11.321 17.497 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.231 12.464 18.034 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.012 11.382 19.211 1.00 0.00 H new ATOM 617 N ILE A 40 -15.510 12.276 17.976 1.00 0.00 N ATOM 618 CA ILE A 40 -16.834 11.748 18.186 1.00 0.00 C ATOM 619 C ILE A 40 -17.122 10.815 17.007 1.00 0.00 C ATOM 620 O ILE A 40 -16.751 11.071 15.860 1.00 0.00 O ATOM 621 CB ILE A 40 -17.872 12.885 18.322 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.126 13.755 17.072 1.00 0.00 C ATOM 623 CG2 ILE A 40 -17.612 13.735 19.575 1.00 0.00 C ATOM 624 CD1 ILE A 40 -16.967 14.651 16.654 1.00 0.00 C ATOM 0 H ILE A 40 -15.340 12.559 17.011 1.00 0.00 H new ATOM 0 HA ILE A 40 -16.901 11.192 19.121 1.00 0.00 H new ATOM 0 HB ILE A 40 -18.816 12.353 18.436 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.375 13.099 16.238 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -18.999 14.381 17.257 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.360 14.525 19.640 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -17.673 13.104 20.462 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -16.619 14.180 19.513 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.248 15.219 15.767 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.728 15.339 17.465 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.095 14.037 16.430 1.00 0.00 H new ATOM 636 N GLU A 41 -17.759 9.705 17.340 1.00 0.00 N ATOM 637 CA GLU A 41 -18.221 8.628 16.508 1.00 0.00 C ATOM 638 C GLU A 41 -19.682 8.927 16.144 1.00 0.00 C ATOM 639 O GLU A 41 -20.546 8.867 17.015 1.00 0.00 O ATOM 640 CB GLU A 41 -17.972 7.346 17.344 1.00 0.00 C ATOM 641 CG GLU A 41 -18.910 6.172 17.073 1.00 0.00 C ATOM 642 CD GLU A 41 -18.344 4.803 17.463 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.502 4.725 18.389 1.00 0.00 O ATOM 644 OE2 GLU A 41 -18.777 3.833 16.800 1.00 0.00 O ATOM 0 H GLU A 41 -17.987 9.525 18.318 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.712 8.501 15.553 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.949 7.015 17.167 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.045 7.606 18.400 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -19.841 6.334 17.616 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.158 6.159 16.012 1.00 0.00 H new ATOM 651 N LEU A 42 -19.958 9.294 14.879 1.00 0.00 N ATOM 652 CA LEU A 42 -21.309 9.652 14.416 1.00 0.00 C ATOM 653 C LEU A 42 -21.684 8.916 13.138 1.00 0.00 C ATOM 654 O LEU A 42 -20.834 8.380 12.431 1.00 0.00 O ATOM 655 CB LEU A 42 -21.531 11.173 14.244 1.00 0.00 C ATOM 656 CG LEU A 42 -20.927 11.832 12.987 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.577 13.189 12.728 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.424 12.060 13.106 1.00 0.00 C ATOM 0 H LEU A 42 -19.248 9.350 14.149 1.00 0.00 H new ATOM 0 HA LEU A 42 -21.973 9.329 15.218 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.605 11.360 14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.122 11.676 15.120 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.118 11.139 12.167 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.138 13.639 11.837 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.648 13.056 12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.409 13.842 13.584 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.053 12.526 12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.221 12.713 13.955 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.922 11.104 13.255 1.00 0.00 H new ATOM 670 N ASP A 43 -22.984 8.938 12.836 1.00 0.00 N ATOM 671 CA ASP A 43 -23.550 8.281 11.678 1.00 0.00 C ATOM 672 C ASP A 43 -23.218 9.109 10.437 1.00 0.00 C ATOM 673 O ASP A 43 -23.312 10.341 10.459 1.00 0.00 O ATOM 674 CB ASP A 43 -25.055 8.118 11.893 1.00 0.00 C ATOM 675 CG ASP A 43 -25.671 7.235 10.814 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.974 7.788 9.736 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.807 6.024 11.082 1.00 0.00 O ATOM 0 H ASP A 43 -23.677 9.424 13.405 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.129 7.286 11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.240 7.681 12.874 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.535 9.097 11.884 1.00 0.00 H new ATOM 682 N HIS A 44 -22.808 8.431 9.362 1.00 0.00 N ATOM 683 CA HIS A 44 -22.451 9.082 8.113 1.00 0.00 C ATOM 684 C HIS A 44 -23.695 9.593 7.405 1.00 0.00 C ATOM 685 O HIS A 44 -23.699 10.735 6.964 1.00 0.00 O ATOM 686 CB HIS A 44 -21.711 8.081 7.219 1.00 0.00 C ATOM 687 CG HIS A 44 -21.188 8.634 5.915 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.764 9.630 5.159 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.110 8.160 5.217 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.056 9.748 4.030 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.038 8.874 4.019 1.00 0.00 N ATOM 0 H HIS A 44 -22.716 7.415 9.340 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.804 9.933 8.324 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.872 7.670 7.781 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.384 7.252 6.998 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.584 10.180 5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.438 7.377 5.535 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.274 10.449 3.238 1.00 0.00 H new ATOM 699 N ASP A 45 -24.718 8.756 7.222 1.00 0.00 N ATOM 700 CA ASP A 45 -25.861 9.093 6.388 1.00 0.00 C ATOM 701 C ASP A 45 -26.754 10.151 7.054 1.00 0.00 C ATOM 702 O ASP A 45 -27.431 10.917 6.368 1.00 0.00 O ATOM 703 CB ASP A 45 -26.616 7.803 6.086 1.00 0.00 C ATOM 704 CG ASP A 45 -27.192 7.834 4.668 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.369 7.761 3.722 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.431 7.929 4.543 1.00 0.00 O ATOM 0 H ASP A 45 -24.773 7.831 7.648 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.525 9.542 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -25.946 6.950 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.421 7.669 6.808 1.00 0.00 H new ATOM 711 N LYS A 46 -26.665 10.244 8.388 1.00 0.00 N ATOM 712 CA LYS A 46 -27.054 11.392 9.196 1.00 0.00 C ATOM 713 C LYS A 46 -26.276 12.606 8.689 1.00 0.00 C ATOM 714 O LYS A 46 -26.851 13.407 7.952 1.00 0.00 O ATOM 715 CB LYS A 46 -26.766 11.059 10.667 1.00 0.00 C ATOM 716 CG LYS A 46 -26.899 12.194 11.687 1.00 0.00 C ATOM 717 CD LYS A 46 -26.363 11.796 13.070 1.00 0.00 C ATOM 718 CE LYS A 46 -27.378 10.983 13.865 1.00 0.00 C ATOM 719 NZ LYS A 46 -26.757 9.840 14.564 1.00 0.00 N ATOM 0 H LYS A 46 -26.300 9.478 8.955 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.116 11.624 9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.438 10.255 10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.751 10.666 10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.358 13.069 11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -27.947 12.481 11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.448 11.216 12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -26.101 12.694 13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.867 11.629 14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -28.154 10.617 13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -27.464 9.378 15.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -26.402 9.157 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -25.967 10.179 15.150 1.00 0.00 H new ATOM 733 N VAL A 47 -24.987 12.752 9.054 1.00 0.00 N ATOM 734 CA VAL A 47 -24.257 13.986 8.774 1.00 0.00 C ATOM 735 C VAL A 47 -24.231 14.369 7.287 1.00 0.00 C ATOM 736 O VAL A 47 -24.122 15.542 6.949 1.00 0.00 O ATOM 737 CB VAL A 47 -22.850 13.917 9.354 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.898 13.151 8.464 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.298 15.319 9.600 1.00 0.00 C ATOM 0 H VAL A 47 -24.443 12.036 9.536 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.808 14.786 9.268 1.00 0.00 H new ATOM 0 HB VAL A 47 -22.929 13.382 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.909 13.131 8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.260 12.131 8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.838 13.639 7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.292 15.247 10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.264 15.867 8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.943 15.846 10.303 1.00 0.00 H new ATOM 749 N MET A 48 -24.346 13.376 6.407 1.00 0.00 N ATOM 750 CA MET A 48 -24.531 13.519 4.975 1.00 0.00 C ATOM 751 C MET A 48 -25.680 14.490 4.720 1.00 0.00 C ATOM 752 O MET A 48 -25.432 15.564 4.199 1.00 0.00 O ATOM 753 CB MET A 48 -24.758 12.155 4.315 1.00 0.00 C ATOM 754 CG MET A 48 -24.914 12.230 2.794 1.00 0.00 C ATOM 755 SD MET A 48 -23.390 11.965 1.844 1.00 0.00 S ATOM 756 CE MET A 48 -22.660 13.619 1.819 1.00 0.00 C ATOM 0 H MET A 48 -24.310 12.399 6.696 1.00 0.00 H new ATOM 0 HA MET A 48 -23.629 13.930 4.521 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.920 11.501 4.554 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.651 11.698 4.742 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.650 11.488 2.484 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.319 13.208 2.535 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.866 13.655 1.073 1.00 0.00 H new ATOM 0 HE2 MET A 48 -23.427 14.352 1.569 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.245 13.849 2.801 1.00 0.00 H new ATOM 766 N ASN A 49 -26.906 14.180 5.148 1.00 0.00 N ATOM 767 CA ASN A 49 -28.051 15.089 5.069 1.00 0.00 C ATOM 768 C ASN A 49 -27.823 16.424 5.780 1.00 0.00 C ATOM 769 O ASN A 49 -28.509 17.396 5.464 1.00 0.00 O ATOM 770 CB ASN A 49 -29.242 14.367 5.703 1.00 0.00 C ATOM 771 CG ASN A 49 -30.549 15.156 5.724 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.913 15.833 4.766 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.279 15.062 6.833 1.00 0.00 N ATOM 0 H ASN A 49 -27.134 13.278 5.565 1.00 0.00 H new ATOM 0 HA ASN A 49 -28.223 15.336 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.409 13.434 5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.981 14.101 6.727 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.166 15.560 6.903 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.951 14.492 7.613 1.00 0.00 H new ATOM 780 N MET A 50 -26.879 16.496 6.724 1.00 0.00 N ATOM 781 CA MET A 50 -26.668 17.678 7.518 1.00 0.00 C ATOM 782 C MET A 50 -25.789 18.654 6.731 1.00 0.00 C ATOM 783 O MET A 50 -26.304 19.668 6.278 1.00 0.00 O ATOM 784 CB MET A 50 -26.081 17.261 8.864 1.00 0.00 C ATOM 785 CG MET A 50 -26.872 16.215 9.612 1.00 0.00 C ATOM 786 SD MET A 50 -28.489 16.722 10.225 1.00 0.00 S ATOM 787 CE MET A 50 -28.351 15.868 11.805 1.00 0.00 C ATOM 0 H MET A 50 -26.247 15.728 6.948 1.00 0.00 H new ATOM 0 HA MET A 50 -27.600 18.202 7.729 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.072 16.883 8.701 1.00 0.00 H new ATOM 0 HB3 MET A 50 -25.992 18.146 9.494 1.00 0.00 H new ATOM 0 HG2 MET A 50 -27.009 15.356 8.955 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.276 15.877 10.459 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.318 15.445 12.075 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.615 15.068 11.723 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.036 16.574 12.574 1.00 0.00 H new ATOM 797 N GLN A 51 -24.501 18.349 6.504 1.00 0.00 N ATOM 798 CA GLN A 51 -23.606 19.194 5.686 1.00 0.00 C ATOM 799 C GLN A 51 -24.058 19.342 4.228 1.00 0.00 C ATOM 800 O GLN A 51 -23.485 20.140 3.488 1.00 0.00 O ATOM 801 CB GLN A 51 -22.128 18.762 5.797 1.00 0.00 C ATOM 802 CG GLN A 51 -21.689 17.384 5.304 1.00 0.00 C ATOM 803 CD GLN A 51 -21.931 17.185 3.822 1.00 0.00 C ATOM 804 OE1 GLN A 51 -21.200 17.702 2.984 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.972 16.434 3.493 1.00 0.00 N ATOM 0 H GLN A 51 -24.049 17.515 6.879 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.681 20.193 6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.534 19.501 5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.849 18.833 6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.628 17.249 5.515 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -22.226 16.616 5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.555 16.022 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -23.191 16.267 2.511 1.00 0.00 H new ATOM 814 N ALA A 52 -25.095 18.602 3.819 1.00 0.00 N ATOM 815 CA ALA A 52 -25.753 18.721 2.552 1.00 0.00 C ATOM 816 C ALA A 52 -26.597 19.995 2.446 1.00 0.00 C ATOM 817 O ALA A 52 -27.102 20.250 1.351 1.00 0.00 O ATOM 818 CB ALA A 52 -26.561 17.452 2.276 1.00 0.00 C ATOM 0 H ALA A 52 -25.503 17.874 4.405 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.995 18.820 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -27.062 17.542 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.892 16.591 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -27.306 17.317 3.061 1.00 0.00 H new ATOM 824 N LYS A 53 -26.718 20.825 3.506 1.00 0.00 N ATOM 825 CA LYS A 53 -27.199 22.191 3.321 1.00 0.00 C ATOM 826 C LYS A 53 -26.203 23.182 3.907 1.00 0.00 C ATOM 827 O LYS A 53 -25.405 22.836 4.778 1.00 0.00 O ATOM 828 CB LYS A 53 -28.616 22.365 3.879 1.00 0.00 C ATOM 829 CG LYS A 53 -28.725 22.216 5.404 1.00 0.00 C ATOM 830 CD LYS A 53 -29.042 20.794 5.850 1.00 0.00 C ATOM 831 CE LYS A 53 -30.516 20.432 5.645 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.785 19.034 6.032 1.00 0.00 N ATOM 0 H LYS A 53 -26.494 20.573 4.469 1.00 0.00 H new ATOM 0 HA LYS A 53 -27.271 22.400 2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.985 23.351 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -29.271 21.632 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.787 22.532 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.501 22.887 5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.418 20.094 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.786 20.681 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -31.142 21.101 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.787 20.580 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.609 18.680 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.955 18.447 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.981 18.988 7.052 1.00 0.00 H new ATOM 846 N ALA A 54 -26.274 24.430 3.436 1.00 0.00 N ATOM 847 CA ALA A 54 -25.357 25.471 3.873 1.00 0.00 C ATOM 848 C ALA A 54 -25.649 25.950 5.294 1.00 0.00 C ATOM 849 O ALA A 54 -24.740 26.428 5.969 1.00 0.00 O ATOM 850 CB ALA A 54 -25.396 26.642 2.886 1.00 0.00 C ATOM 0 H ALA A 54 -26.962 24.739 2.749 1.00 0.00 H new ATOM 0 HA ALA A 54 -24.355 25.043 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.708 27.420 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -25.101 26.294 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.407 27.047 2.842 1.00 0.00 H new ATOM 856 N GLU A 55 -26.883 25.747 5.770 1.00 0.00 N ATOM 857 CA GLU A 55 -27.306 25.961 7.140 1.00 0.00 C ATOM 858 C GLU A 55 -26.463 25.140 8.128 1.00 0.00 C ATOM 859 O GLU A 55 -26.384 25.487 9.298 1.00 0.00 O ATOM 860 CB GLU A 55 -28.786 25.569 7.300 1.00 0.00 C ATOM 861 CG GLU A 55 -29.743 26.079 6.209 1.00 0.00 C ATOM 862 CD GLU A 55 -31.185 25.630 6.471 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.403 24.398 6.540 1.00 0.00 O ATOM 864 OE2 GLU A 55 -32.056 26.520 6.577 1.00 0.00 O ATOM 0 H GLU A 55 -27.642 25.414 5.175 1.00 0.00 H new ATOM 0 HA GLU A 55 -27.169 27.019 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.851 24.481 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -29.136 25.938 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.702 27.167 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.417 25.710 5.236 1.00 0.00 H new ATOM 871 N PHE A 56 -25.813 24.061 7.680 1.00 0.00 N ATOM 872 CA PHE A 56 -24.972 23.246 8.537 1.00 0.00 C ATOM 873 C PHE A 56 -23.708 23.966 8.951 1.00 0.00 C ATOM 874 O PHE A 56 -23.329 23.974 10.120 1.00 0.00 O ATOM 875 CB PHE A 56 -24.567 21.998 7.768 1.00 0.00 C ATOM 876 CG PHE A 56 -23.658 21.011 8.479 1.00 0.00 C ATOM 877 CD1 PHE A 56 -24.249 19.955 9.175 1.00 0.00 C ATOM 878 CD2 PHE A 56 -22.254 21.053 8.348 1.00 0.00 C ATOM 879 CE1 PHE A 56 -23.470 18.896 9.667 1.00 0.00 C ATOM 880 CE2 PHE A 56 -21.465 20.021 8.898 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.080 18.926 9.525 1.00 0.00 C ATOM 0 H PHE A 56 -25.860 23.736 6.714 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.543 23.009 9.435 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.475 21.471 7.476 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.072 22.313 6.849 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -25.317 19.953 9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -21.784 21.874 7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -23.945 18.058 10.155 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -20.388 20.073 8.837 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.480 18.108 9.897 1.00 0.00 H new ATOM 891 N TYR A 57 -23.014 24.491 7.944 1.00 0.00 N ATOM 892 CA TYR A 57 -21.728 25.112 8.175 1.00 0.00 C ATOM 893 C TYR A 57 -21.903 26.554 8.661 1.00 0.00 C ATOM 894 O TYR A 57 -21.071 27.050 9.420 1.00 0.00 O ATOM 895 CB TYR A 57 -20.858 25.002 6.911 1.00 0.00 C ATOM 896 CG TYR A 57 -21.199 25.903 5.736 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.873 27.274 5.776 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.760 25.357 4.565 1.00 0.00 C ATOM 899 CE1 TYR A 57 -21.146 28.106 4.677 1.00 0.00 C ATOM 900 CE2 TYR A 57 -22.006 26.176 3.448 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.714 27.559 3.504 1.00 0.00 C ATOM 902 OH TYR A 57 -21.967 28.362 2.432 1.00 0.00 O ATOM 0 H TYR A 57 -23.323 24.496 6.972 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.203 24.584 8.971 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.825 25.201 7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.900 23.969 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.409 27.688 6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -22.002 24.305 4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.922 29.161 4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.418 25.748 2.546 1.00 0.00 H new ATOM 0 HH TYR A 57 -22.356 27.828 1.708 1.00 0.00 H new ATOM 912 N SER A 58 -22.991 27.209 8.231 1.00 0.00 N ATOM 913 CA SER A 58 -23.308 28.588 8.561 1.00 0.00 C ATOM 914 C SER A 58 -24.010 28.700 9.917 1.00 0.00 C ATOM 915 O SER A 58 -23.980 29.784 10.501 1.00 0.00 O ATOM 916 CB SER A 58 -24.194 29.168 7.451 1.00 0.00 C ATOM 917 OG SER A 58 -24.355 30.562 7.611 1.00 0.00 O ATOM 0 H SER A 58 -23.688 26.773 7.628 1.00 0.00 H new ATOM 0 HA SER A 58 -22.379 29.153 8.635 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.749 28.959 6.478 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.169 28.681 7.467 1.00 0.00 H new ATOM 0 HG SER A 58 -24.922 30.911 6.892 1.00 0.00 H new ATOM 923 N GLU A 59 -24.641 27.625 10.417 1.00 0.00 N ATOM 924 CA GLU A 59 -25.425 27.657 11.642 1.00 0.00 C ATOM 925 C GLU A 59 -25.025 26.449 12.489 1.00 0.00 C ATOM 926 O GLU A 59 -25.013 25.318 12.010 1.00 0.00 O ATOM 927 CB GLU A 59 -26.946 27.690 11.379 1.00 0.00 C ATOM 928 CG GLU A 59 -27.450 28.320 10.059 1.00 0.00 C ATOM 929 CD GLU A 59 -28.645 29.243 10.296 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.740 28.702 10.567 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.442 30.474 10.214 1.00 0.00 O ATOM 0 H GLU A 59 -24.615 26.707 9.972 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.209 28.581 12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.312 26.664 11.419 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.414 28.228 12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.642 28.883 9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.732 27.530 9.363 1.00 0.00 H new ATOM 938 N VAL A 60 -24.672 26.706 13.751 1.00 0.00 N ATOM 939 CA VAL A 60 -24.170 25.724 14.705 1.00 0.00 C ATOM 940 C VAL A 60 -25.094 24.498 14.820 1.00 0.00 C ATOM 941 O VAL A 60 -26.319 24.615 14.748 1.00 0.00 O ATOM 942 CB VAL A 60 -23.930 26.453 16.045 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.189 27.113 16.635 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.299 25.550 17.085 1.00 0.00 C ATOM 0 H VAL A 60 -24.732 27.643 14.149 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.225 25.306 14.360 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.234 27.252 15.792 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -24.936 27.603 17.575 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.576 27.852 15.933 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -25.948 26.352 16.816 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.150 26.108 18.009 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -23.955 24.701 17.276 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.337 25.191 16.719 1.00 0.00 H new ATOM 954 N LEU A 61 -24.490 23.321 15.036 1.00 0.00 N ATOM 955 CA LEU A 61 -25.150 22.037 15.167 1.00 0.00 C ATOM 956 C LEU A 61 -24.959 21.554 16.607 1.00 0.00 C ATOM 957 O LEU A 61 -24.056 22.031 17.295 1.00 0.00 O ATOM 958 CB LEU A 61 -24.471 21.020 14.243 1.00 0.00 C ATOM 959 CG LEU A 61 -24.067 21.456 12.812 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.083 20.431 12.252 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.191 21.621 11.780 1.00 0.00 C ATOM 0 H LEU A 61 -23.477 23.247 15.127 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.205 22.133 14.912 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.570 20.669 14.746 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.139 20.164 14.150 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.654 22.456 12.949 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.788 20.723 11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.200 20.387 12.890 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.557 19.450 12.221 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.766 21.929 10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.713 20.672 11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.894 22.380 12.125 1.00 0.00 H new ATOM 973 N THR A 62 -25.743 20.562 17.051 1.00 0.00 N ATOM 974 CA THR A 62 -25.666 20.059 18.417 1.00 0.00 C ATOM 975 C THR A 62 -25.267 18.582 18.431 1.00 0.00 C ATOM 976 O THR A 62 -26.108 17.712 18.229 1.00 0.00 O ATOM 977 CB THR A 62 -27.003 20.288 19.121 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.543 21.560 18.815 1.00 0.00 O ATOM 979 CG2 THR A 62 -26.831 20.176 20.626 1.00 0.00 C ATOM 0 H THR A 62 -26.441 20.093 16.474 1.00 0.00 H new ATOM 0 HA THR A 62 -24.893 20.604 18.959 1.00 0.00 H new ATOM 0 HB THR A 62 -27.691 19.522 18.765 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.398 21.673 19.280 1.00 0.00 H new ATOM 0 HG21 THR A 62 -27.791 20.341 21.115 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.462 19.181 20.877 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.116 20.925 20.967 1.00 0.00 H new ATOM 987 N ILE A 63 -23.989 18.275 18.653 1.00 0.00 N ATOM 988 CA ILE A 63 -23.534 16.901 18.733 1.00 0.00 C ATOM 989 C ILE A 63 -23.986 16.312 20.066 1.00 0.00 C ATOM 990 O ILE A 63 -23.428 16.652 21.103 1.00 0.00 O ATOM 991 CB ILE A 63 -22.006 16.768 18.574 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.347 17.693 17.544 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.637 15.312 18.283 1.00 0.00 C ATOM 994 CD1 ILE A 63 -21.991 17.842 16.179 1.00 0.00 C ATOM 0 H ILE A 63 -23.252 18.969 18.780 1.00 0.00 H new ATOM 0 HA ILE A 63 -23.976 16.349 17.903 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.603 17.099 19.531 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.280 18.686 17.988 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.326 17.343 17.391 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.556 15.226 18.172 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -21.969 14.681 19.108 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.123 14.991 17.362 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.402 18.530 15.572 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.033 16.870 15.688 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.001 18.234 16.294 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.996 15.443 20.040 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.494 14.744 21.215 1.00 0.00 C ATOM 1008 C VAL A 64 -24.599 13.511 21.408 1.00 0.00 C ATOM 1009 O VAL A 64 -24.940 12.425 20.944 1.00 0.00 O ATOM 1010 CB VAL A 64 -26.985 14.393 21.036 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.575 13.772 22.294 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.908 15.572 20.722 1.00 0.00 C ATOM 0 H VAL A 64 -25.497 15.204 19.184 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.447 15.362 22.112 1.00 0.00 H new ATOM 0 HB VAL A 64 -26.957 13.712 20.185 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -28.627 13.540 22.126 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.035 12.856 22.535 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.486 14.475 23.123 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -28.932 15.214 20.616 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.859 16.298 21.533 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.591 16.045 19.793 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.428 13.687 22.035 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.474 12.630 22.342 1.00 0.00 C ATOM 1024 C VAL A 65 -23.039 11.789 23.487 1.00 0.00 C ATOM 1025 O VAL A 65 -22.966 12.181 24.650 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.047 13.173 22.588 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -20.582 14.044 21.422 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -20.844 14.006 23.852 1.00 0.00 C ATOM 0 H VAL A 65 -23.114 14.605 22.351 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.348 11.977 21.478 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.466 12.258 22.701 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -19.576 14.412 21.622 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.577 13.453 20.506 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.261 14.889 21.305 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -19.805 14.328 23.912 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.494 14.881 23.820 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.089 13.404 24.727 1.00 0.00 H new ATOM 1038 N ASP A 66 -23.659 10.652 23.150 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.232 9.711 24.115 1.00 0.00 C ATOM 1040 C ASP A 66 -25.261 10.380 25.055 1.00 0.00 C ATOM 1041 O ASP A 66 -25.464 9.944 26.186 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.070 8.994 24.833 1.00 0.00 C ATOM 1043 CG ASP A 66 -23.513 7.789 25.668 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.320 6.988 25.144 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.012 7.672 26.809 1.00 0.00 O ATOM 0 H ASP A 66 -23.778 10.356 22.181 1.00 0.00 H new ATOM 0 HA ASP A 66 -24.825 8.955 23.601 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.344 8.663 24.090 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -22.560 9.707 25.481 1.00 0.00 H new ATOM 1050 N GLY A 67 -25.899 11.467 24.590 1.00 0.00 N ATOM 1051 CA GLY A 67 -26.895 12.237 25.334 1.00 0.00 C ATOM 1052 C GLY A 67 -26.430 13.635 25.762 1.00 0.00 C ATOM 1053 O GLY A 67 -27.242 14.385 26.300 1.00 0.00 O ATOM 0 H GLY A 67 -25.727 11.841 23.657 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -27.790 12.338 24.720 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.180 11.675 26.223 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.159 14.004 25.536 1.00 0.00 N ATOM 1058 CA LYS A 68 -24.590 15.288 25.943 1.00 0.00 C ATOM 1059 C LYS A 68 -24.498 16.178 24.722 1.00 0.00 C ATOM 1060 O LYS A 68 -23.805 15.844 23.775 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.198 15.080 26.544 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.293 14.485 27.949 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.114 13.556 28.274 1.00 0.00 C ATOM 1064 CE LYS A 68 -20.769 14.288 28.185 1.00 0.00 C ATOM 1065 NZ LYS A 68 -19.639 13.381 28.459 1.00 0.00 N ATOM 0 H LYS A 68 -24.490 13.403 25.056 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.224 15.753 26.698 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -22.616 14.418 25.903 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.669 16.032 26.583 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.328 15.292 28.681 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.226 13.929 28.043 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.239 13.147 29.277 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.115 12.713 27.583 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.655 14.722 27.192 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.755 15.113 28.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.746 13.909 28.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.735 12.986 29.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.638 12.607 27.764 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.220 17.288 24.739 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.348 18.215 23.622 1.00 0.00 C ATOM 1081 C GLU A 69 -24.183 19.202 23.527 1.00 0.00 C ATOM 1082 O GLU A 69 -23.980 19.998 24.444 1.00 0.00 O ATOM 1083 CB GLU A 69 -26.679 18.947 23.795 1.00 0.00 C ATOM 1084 CG GLU A 69 -27.807 17.976 23.456 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.133 18.683 23.175 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.688 19.268 24.129 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -29.567 18.634 22.001 1.00 0.00 O ATOM 0 H GLU A 69 -25.752 17.579 25.559 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.324 17.657 22.686 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.784 19.308 24.818 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -26.720 19.820 23.143 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.523 17.386 22.584 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.941 17.278 24.283 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.426 19.154 22.415 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.232 19.981 22.214 1.00 0.00 C ATOM 1096 C ILE A 70 -22.455 20.884 20.999 1.00 0.00 C ATOM 1097 O ILE A 70 -22.777 20.398 19.920 1.00 0.00 O ATOM 1098 CB ILE A 70 -20.975 19.088 22.055 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.400 18.570 23.388 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -19.862 19.839 21.332 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.275 17.479 23.976 1.00 0.00 C ATOM 0 H ILE A 70 -23.630 18.536 21.630 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.061 20.612 23.086 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.317 18.230 21.477 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.393 18.185 23.228 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.317 19.394 24.096 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -18.991 19.191 21.233 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.207 20.137 20.342 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -19.591 20.727 21.904 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -20.844 17.134 24.916 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.275 17.873 24.159 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.336 16.645 23.277 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.227 22.193 21.148 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.361 23.153 20.065 1.00 0.00 C ATOM 1115 C LYS A 71 -21.078 23.246 19.276 1.00 0.00 C ATOM 1116 O LYS A 71 -20.028 23.523 19.852 1.00 0.00 O ATOM 1117 CB LYS A 71 -22.792 24.525 20.608 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.280 24.587 20.981 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.182 23.974 19.901 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.398 24.804 19.532 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.435 24.790 20.579 1.00 0.00 N ATOM 0 H LYS A 71 -21.942 22.612 22.033 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.141 22.807 19.387 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.193 24.765 21.487 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -22.580 25.288 19.859 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.437 24.061 21.923 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.568 25.626 21.144 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -24.587 23.810 19.003 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.519 22.996 20.243 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.088 25.833 19.347 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -26.822 24.426 18.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.242 25.372 20.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -27.753 23.813 20.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.042 25.175 21.462 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.188 23.021 17.955 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.087 23.091 16.999 1.00 0.00 C ATOM 1137 C VAL A 72 -20.563 23.424 15.582 1.00 0.00 C ATOM 1138 O VAL A 72 -21.733 23.236 15.272 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.321 21.770 16.974 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -18.749 21.372 18.308 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.206 20.629 16.474 1.00 0.00 C ATOM 0 H VAL A 72 -22.077 22.778 17.517 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.434 23.898 17.332 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.489 21.943 16.291 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.220 20.424 18.209 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.056 22.140 18.650 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.556 21.263 19.032 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.634 19.701 16.467 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.066 20.520 17.134 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.550 20.851 15.464 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.660 23.868 14.700 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.998 24.289 13.333 1.00 0.00 C ATOM 1153 C LYS A 73 -18.825 23.982 12.413 1.00 0.00 C ATOM 1154 O LYS A 73 -17.681 24.185 12.806 1.00 0.00 O ATOM 1155 CB LYS A 73 -20.359 25.791 13.254 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.110 26.566 14.558 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.438 28.051 14.497 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.518 28.844 13.557 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.105 28.812 13.991 1.00 0.00 N ATOM 0 H LYS A 73 -18.666 23.946 14.915 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.881 23.733 13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.779 26.251 12.454 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -21.410 25.887 12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.702 26.111 15.352 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.062 26.452 14.836 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.471 28.174 14.170 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.369 28.472 15.500 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.595 28.436 12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.857 29.879 13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.554 29.493 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.045 29.065 14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.720 27.856 13.851 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.120 23.498 11.203 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.152 22.893 10.294 1.00 0.00 C ATOM 1175 C ALA A 74 -16.961 23.788 9.941 1.00 0.00 C ATOM 1176 O ALA A 74 -17.084 25.015 9.927 1.00 0.00 O ATOM 1177 CB ALA A 74 -18.887 22.514 9.010 1.00 0.00 C ATOM 0 H ALA A 74 -20.066 23.519 10.822 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.731 22.030 10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.186 22.058 8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.682 21.805 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.319 23.408 8.560 1.00 0.00 H new ATOM 1183 N GLN A 75 -15.846 23.147 9.559 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.702 23.809 8.932 1.00 0.00 C ATOM 1185 C GLN A 75 -14.228 23.061 7.679 1.00 0.00 C ATOM 1186 O GLN A 75 -13.965 23.699 6.661 1.00 0.00 O ATOM 1187 CB GLN A 75 -13.550 23.971 9.940 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.344 25.427 10.366 1.00 0.00 C ATOM 1189 CD GLN A 75 -12.763 26.350 9.293 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -12.078 25.922 8.369 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -12.968 27.653 9.466 1.00 0.00 N ATOM 0 H GLN A 75 -15.716 22.143 9.680 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.029 24.800 8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.755 23.363 10.822 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.629 23.591 9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.303 25.832 10.689 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.683 25.444 11.232 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.542 27.980 10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.551 28.325 8.822 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.136 21.727 7.737 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.578 20.878 6.693 1.00 0.00 C ATOM 1202 C ASP A 76 -14.380 19.592 6.732 1.00 0.00 C ATOM 1203 O ASP A 76 -14.067 18.646 7.455 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.058 20.659 6.860 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.523 19.437 6.094 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.790 19.373 4.874 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.855 18.578 6.724 1.00 0.00 O ATOM 0 H ASP A 76 -14.462 21.196 8.544 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.661 21.347 5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.532 21.550 6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.831 20.541 7.920 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.469 19.602 5.963 1.00 0.00 N ATOM 1213 CA VAL A 77 -16.099 18.382 5.511 1.00 0.00 C ATOM 1214 C VAL A 77 -15.294 17.959 4.274 1.00 0.00 C ATOM 1215 O VAL A 77 -14.959 18.769 3.407 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.612 18.571 5.248 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.401 19.097 6.463 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.873 19.527 4.098 1.00 0.00 C ATOM 0 H VAL A 77 -15.929 20.454 5.643 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.079 17.596 6.266 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.960 17.566 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.453 19.202 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.305 18.395 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -18.004 20.067 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.948 19.631 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.443 20.501 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.416 19.136 3.189 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.984 16.672 4.215 1.00 0.00 N ATOM 1229 CA GLN A 78 -14.191 16.019 3.188 1.00 0.00 C ATOM 1230 C GLN A 78 -15.151 15.093 2.458 1.00 0.00 C ATOM 1231 O GLN A 78 -15.681 14.165 3.065 1.00 0.00 O ATOM 1232 CB GLN A 78 -13.018 15.216 3.784 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.979 16.040 4.564 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.819 15.174 5.081 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.551 14.097 4.553 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -10.113 15.624 6.119 1.00 0.00 N ATOM 0 H GLN A 78 -15.301 16.016 4.929 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.740 16.756 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.424 14.453 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.508 14.695 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.584 16.826 3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.466 16.532 5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.348 16.520 6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.338 15.072 6.486 1.00 0.00 H new ATOM 1245 N ARG A 79 -15.414 15.366 1.178 1.00 0.00 N ATOM 1246 CA ARG A 79 -16.266 14.525 0.342 1.00 0.00 C ATOM 1247 C ARG A 79 -15.479 13.295 -0.119 1.00 0.00 C ATOM 1248 O ARG A 79 -14.248 13.305 -0.126 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.785 15.335 -0.860 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.731 16.484 -0.466 1.00 0.00 C ATOM 1251 CD ARG A 79 -19.085 15.975 0.052 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.960 17.069 0.501 1.00 0.00 N ATOM 1253 CZ ARG A 79 -20.667 17.924 -0.255 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -20.606 17.892 -1.591 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -21.449 18.819 0.353 1.00 0.00 N ATOM 0 H ARG A 79 -15.039 16.181 0.692 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.127 14.187 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.935 15.746 -1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.307 14.664 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.257 17.094 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.894 17.129 -1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.585 15.414 -0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.918 15.284 0.878 1.00 0.00 H new ATOM 0 HE ARG A 79 -20.039 17.193 1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -20.012 17.207 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.153 18.553 -2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.500 18.843 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.995 19.479 -0.201 1.00 0.00 H new ATOM 1269 N HIS A 80 -16.195 12.240 -0.527 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.601 11.051 -1.118 1.00 0.00 C ATOM 1271 C HIS A 80 -14.963 11.382 -2.478 1.00 0.00 C ATOM 1272 O HIS A 80 -15.321 12.384 -3.100 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.676 9.968 -1.265 1.00 0.00 C ATOM 1274 CG HIS A 80 -16.476 8.774 -0.370 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.413 8.757 1.005 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -16.423 7.480 -0.799 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -16.318 7.470 1.386 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -16.326 6.653 0.320 1.00 0.00 N ATOM 0 H HIS A 80 -17.211 12.195 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.811 10.680 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.650 10.408 -1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.697 9.631 -2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.451 7.152 -1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.245 7.138 2.411 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.272 5.634 0.327 1.00 0.00 H new ATOM 1286 N PRO A 81 -14.044 10.528 -2.966 1.00 0.00 N ATOM 1287 CA PRO A 81 -13.258 10.811 -4.157 1.00 0.00 C ATOM 1288 C PRO A 81 -14.026 10.568 -5.464 1.00 0.00 C ATOM 1289 O PRO A 81 -13.615 11.100 -6.494 1.00 0.00 O ATOM 1290 CB PRO A 81 -12.032 9.901 -4.041 1.00 0.00 C ATOM 1291 CG PRO A 81 -12.569 8.683 -3.289 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.616 9.283 -2.351 1.00 0.00 C ATOM 0 HA PRO A 81 -12.991 11.867 -4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.639 9.628 -5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.222 10.385 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.009 7.953 -3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.781 8.171 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.458 8.603 -2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.195 9.462 -1.361 1.00 0.00 H new ATOM 1300 N TYR A 82 -15.130 9.799 -5.441 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.997 9.628 -6.605 1.00 0.00 C ATOM 1302 C TYR A 82 -17.471 9.502 -6.215 1.00 0.00 C ATOM 1303 O TYR A 82 -18.340 10.047 -6.895 1.00 0.00 O ATOM 1304 CB TYR A 82 -15.532 8.407 -7.413 1.00 0.00 C ATOM 1305 CG TYR A 82 -16.197 8.280 -8.771 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -15.718 9.041 -9.855 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -17.293 7.414 -8.952 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -16.326 8.936 -11.118 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -17.909 7.304 -10.212 1.00 0.00 C ATOM 1310 CZ TYR A 82 -17.425 8.066 -11.303 1.00 0.00 C ATOM 1311 OH TYR A 82 -18.012 7.966 -12.530 1.00 0.00 O ATOM 0 H TYR A 82 -15.439 9.284 -4.616 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.918 10.522 -7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -14.452 8.465 -7.552 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.731 7.504 -6.836 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.880 9.708 -9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -17.662 6.832 -8.120 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.954 9.520 -11.947 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.750 6.640 -10.347 1.00 0.00 H new ATOM 0 HH TYR A 82 -18.752 7.325 -12.487 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.755 8.783 -5.124 1.00 0.00 N ATOM 1322 CA LYS A 83 -19.106 8.537 -4.632 1.00 0.00 C ATOM 1323 C LYS A 83 -19.653 9.801 -3.947 1.00 0.00 C ATOM 1324 O LYS A 83 -18.865 10.610 -3.453 1.00 0.00 O ATOM 1325 CB LYS A 83 -19.057 7.355 -3.650 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.609 6.049 -4.339 1.00 0.00 C ATOM 1327 CD LYS A 83 -18.027 5.026 -3.357 1.00 0.00 C ATOM 1328 CE LYS A 83 -19.037 4.505 -2.328 1.00 0.00 C ATOM 1329 NZ LYS A 83 -20.064 3.640 -2.940 1.00 0.00 N ATOM 0 H LYS A 83 -17.033 8.348 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.773 8.292 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.371 7.589 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -20.042 7.211 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.461 5.606 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.862 6.282 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.630 4.182 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.188 5.480 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.509 3.947 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.521 5.349 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.724 3.312 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.587 4.178 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.606 2.819 -3.386 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.986 9.970 -3.854 1.00 0.00 N ATOM 1344 CA PRO A 84 -21.614 11.084 -3.152 1.00 0.00 C ATOM 1345 C PRO A 84 -21.628 10.807 -1.637 1.00 0.00 C ATOM 1346 O PRO A 84 -22.686 10.590 -1.047 1.00 0.00 O ATOM 1347 CB PRO A 84 -23.011 11.184 -3.778 1.00 0.00 C ATOM 1348 CG PRO A 84 -23.354 9.726 -4.086 1.00 0.00 C ATOM 1349 CD PRO A 84 -22.001 9.131 -4.480 1.00 0.00 C ATOM 0 HA PRO A 84 -21.086 12.032 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -23.730 11.632 -3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -23.007 11.797 -4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -23.781 9.220 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -24.082 9.644 -4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.916 8.099 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.882 9.120 -5.563 1.00 0.00 H new ATOM 1357 N LYS A 85 -20.440 10.761 -1.017 1.00 0.00 N ATOM 1358 CA LYS A 85 -20.237 10.390 0.383 1.00 0.00 C ATOM 1359 C LYS A 85 -19.221 11.339 1.035 1.00 0.00 C ATOM 1360 O LYS A 85 -18.897 12.385 0.470 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.845 8.895 0.452 1.00 0.00 C ATOM 1362 CG LYS A 85 -21.000 7.932 0.154 1.00 0.00 C ATOM 1363 CD LYS A 85 -22.082 7.930 1.247 1.00 0.00 C ATOM 1364 CE LYS A 85 -23.171 6.910 0.921 1.00 0.00 C ATOM 1365 NZ LYS A 85 -24.193 6.833 1.991 1.00 0.00 N ATOM 0 H LYS A 85 -19.568 10.989 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 85 -21.155 10.502 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.038 8.709 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.452 8.679 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -21.455 8.204 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.604 6.923 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.632 7.695 2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.521 8.924 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -23.650 7.179 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.719 5.928 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.867 6.072 1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.729 6.635 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.701 7.738 2.051 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.761 11.002 2.246 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.848 11.780 3.075 1.00 0.00 C ATOM 1381 C LEU A 86 -16.714 10.862 3.527 1.00 0.00 C ATOM 1382 O LEU A 86 -16.938 9.686 3.810 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.587 12.342 4.305 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.659 13.400 3.970 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.809 13.357 4.986 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -19.075 14.814 3.910 1.00 0.00 C ATOM 0 H LEU A 86 -19.035 10.128 2.694 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.452 12.619 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -19.060 11.518 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.857 12.783 4.983 1.00 0.00 H new ATOM 0 HG LEU A 86 -20.044 13.153 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.551 14.112 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.273 12.371 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.420 13.557 5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.866 15.525 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.638 15.068 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.304 14.857 3.140 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.496 11.402 3.588 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.326 10.732 4.140 1.00 0.00 C ATOM 1400 C GLN A 87 -14.127 11.107 5.611 1.00 0.00 C ATOM 1401 O GLN A 87 -13.681 10.263 6.384 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.083 11.105 3.314 1.00 0.00 C ATOM 1403 CG GLN A 87 -13.111 10.458 1.915 1.00 0.00 C ATOM 1404 CD GLN A 87 -11.836 9.695 1.557 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -11.179 10.002 0.568 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.500 8.664 2.329 1.00 0.00 N ATOM 0 H GLN A 87 -15.295 12.341 3.245 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.480 9.654 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.026 12.189 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.185 10.787 3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.959 9.775 1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.278 11.236 1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.066 8.432 3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.677 8.106 2.104 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.462 12.348 5.993 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.230 12.906 7.323 1.00 0.00 C ATOM 1417 C HIS A 88 -14.849 14.286 7.406 1.00 0.00 C ATOM 1418 O HIS A 88 -15.060 14.941 6.388 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.738 13.014 7.631 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.455 13.605 8.988 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.856 14.817 9.245 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.785 13.037 10.189 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.793 14.941 10.582 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.345 13.888 11.200 1.00 0.00 N ATOM 0 H HIS A 88 -14.916 13.008 5.361 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.687 12.237 8.052 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.288 12.023 7.572 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.259 13.627 6.867 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.296 12.096 10.328 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.353 15.784 11.094 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.426 13.740 12.206 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.142 14.717 8.634 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.686 16.018 8.940 1.00 0.00 C ATOM 1434 C ILE A 89 -15.083 16.465 10.264 1.00 0.00 C ATOM 1435 O ILE A 89 -14.855 15.659 11.163 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.226 15.946 9.009 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.813 15.525 7.644 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.790 17.313 9.441 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.275 15.141 7.698 1.00 0.00 C ATOM 0 H ILE A 89 -14.998 14.141 9.464 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.438 16.741 8.163 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.512 15.195 9.745 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.689 16.346 6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.240 14.682 7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.878 17.259 9.489 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.396 17.575 10.423 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.496 18.073 8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.614 14.858 6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.405 14.299 8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.861 15.989 8.053 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.921 17.776 10.400 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.676 18.424 11.672 1.00 0.00 C ATOM 1453 C ASP A 90 -15.729 19.505 11.911 1.00 0.00 C ATOM 1454 O ASP A 90 -16.373 19.999 10.979 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.246 18.967 11.733 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.877 19.954 10.640 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.686 20.860 10.354 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.742 19.806 10.140 1.00 0.00 O ATOM 0 H ASP A 90 -14.958 18.424 9.613 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.766 17.697 12.479 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.100 19.450 12.699 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.554 18.126 11.689 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.873 19.885 13.181 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.671 21.000 13.631 1.00 0.00 C ATOM 1465 C PHE A 91 -15.766 21.793 14.584 1.00 0.00 C ATOM 1466 O PHE A 91 -14.971 21.182 15.298 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.913 20.446 14.344 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.561 19.169 13.828 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -18.133 17.925 14.324 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -19.673 19.217 12.967 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -18.788 16.742 13.954 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -20.363 18.032 12.642 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.911 16.794 13.130 1.00 0.00 C ATOM 0 H PHE A 91 -15.412 19.396 13.948 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.019 21.644 12.824 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.644 20.279 15.387 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.673 21.227 14.332 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.290 17.880 14.998 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -19.997 20.161 12.556 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.422 15.789 14.308 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -21.242 18.075 12.016 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.432 15.885 12.867 1.00 0.00 H new ATOM 1483 N VAL A 92 -15.875 23.126 14.635 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.118 23.921 15.599 1.00 0.00 C ATOM 1485 C VAL A 92 -16.002 24.142 16.823 1.00 0.00 C ATOM 1486 O VAL A 92 -17.219 24.250 16.678 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.516 25.222 15.006 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -14.266 25.146 13.494 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.323 26.496 15.282 1.00 0.00 C ATOM 0 H VAL A 92 -16.479 23.672 14.021 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.227 23.370 15.900 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.568 25.294 15.540 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.845 26.090 13.147 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.568 24.337 13.281 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.208 24.958 12.979 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.821 27.350 14.827 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.322 26.393 14.857 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.401 26.651 16.358 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.384 24.230 18.006 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.010 24.440 19.305 1.00 0.00 C ATOM 1501 C ARG A 93 -16.833 25.732 19.296 1.00 0.00 C ATOM 1502 O ARG A 93 -16.290 26.821 19.490 1.00 0.00 O ATOM 1503 CB ARG A 93 -14.916 24.513 20.390 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.292 23.169 20.792 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.172 22.389 21.776 1.00 0.00 C ATOM 1506 NE ARG A 93 -14.387 21.382 22.514 1.00 0.00 N ATOM 1507 CZ ARG A 93 -13.764 21.578 23.691 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -13.797 22.757 24.323 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.084 20.587 24.270 1.00 0.00 N ATOM 0 H ARG A 93 -14.370 24.151 18.080 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.680 23.608 19.521 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.122 25.171 20.037 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.342 24.976 21.280 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.127 22.566 19.899 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.315 23.345 21.243 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -15.635 23.080 22.480 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -15.980 21.898 21.234 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.309 20.455 22.096 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.305 23.541 23.914 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.314 22.872 25.214 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.033 19.673 23.821 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.615 20.744 25.162 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.139 25.594 19.051 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.115 26.665 19.240 1.00 0.00 C ATOM 1525 C ALA A 94 -19.614 26.718 20.696 1.00 0.00 C ATOM 1526 O ALA A 94 -18.921 26.170 21.583 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.267 26.441 18.264 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.698 27.309 20.903 1.00 0.00 O ATOM 0 H ALA A 94 -18.551 24.725 18.712 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.647 27.628 19.039 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.008 27.231 18.388 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -19.887 26.458 17.243 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -20.730 25.474 18.463 1.00 0.00 H new