USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=18 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 78 GLN : amide:sc= 0.832 K(o=0.042,f=-3.4) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -0.791 K(o=0.042,f=-7.3!) USER MOD Set 2.1: A 73 LYS NZ :NH3+ -133:sc= 0.0339 (180deg=-0.595) USER MOD Set 2.2: A 75 GLN : amide:sc= -0.209 K(o=-0.18,f=-3.7) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= -0.042 USER MOD Set 3.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 48 MET CE :methyl 163:sc= -1.4 (180deg=-1.99) USER MOD Set 4.2: A 51 GLN : amide:sc= 0.428 K(o=-0.97,f=-12!) USER MOD Set 5.1: A 10 LYS NZ :NH3+ -150:sc= 0.425 (180deg=0) USER MOD Set 5.2: A 12 GLN : amide:sc= -1.64 K(o=-1.2,f=-8.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.994 F(o=-2.1,f=-0.99) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 91:sc= 0.00365 USER MOD Single : A 24 ASN : amide:sc= 1.02 K(o=1,f=-0.0073) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 2.15 (180deg=1.71) USER MOD Single : A 31 TYR OH : rot 112:sc= 1.25 USER MOD Single : A 44 HIS : no HE2:sc= -2.81! C(o=-2.8!,f=-7.4!) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -0.867! (180deg=-0.951) USER MOD Single : A 49 ASN : amide:sc= -0.0166 X(o=-0.017,f=-0.021) USER MOD Single : A 50 MET CE :methyl -137:sc= -0.807 (180deg=-1.71) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= 1.08 (180deg=0.588) 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -1.03 K(o=-1,f=-1.7) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0172 K(o=-0.017,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.712 20.569 13.602 1.00 0.00 N ATOM 21 CA PHE A 2 -29.813 19.610 12.956 1.00 0.00 C ATOM 22 C PHE A 2 -29.524 18.465 13.938 1.00 0.00 C ATOM 23 O PHE A 2 -30.206 17.447 13.888 1.00 0.00 O ATOM 24 CB PHE A 2 -28.560 20.289 12.359 1.00 0.00 C ATOM 25 CG PHE A 2 -28.829 21.607 11.653 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.406 21.625 10.368 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.538 22.822 12.306 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.707 22.853 9.750 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.837 24.046 11.688 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.432 24.061 10.416 1.00 0.00 C ATOM 0 HA PHE A 2 -30.297 19.172 12.083 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -27.840 20.461 13.159 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.093 19.603 11.653 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.617 20.697 9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.083 22.811 13.286 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.149 22.868 8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.610 24.975 12.190 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.679 25.002 9.948 1.00 0.00 H new ATOM 40 N THR A 3 -28.601 18.695 14.881 1.00 0.00 N ATOM 41 CA THR A 3 -28.256 17.881 16.041 1.00 0.00 C ATOM 42 C THR A 3 -27.690 16.505 15.654 1.00 0.00 C ATOM 43 O THR A 3 -28.425 15.571 15.330 1.00 0.00 O ATOM 44 CB THR A 3 -29.439 17.762 17.006 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.021 19.024 17.291 1.00 0.00 O ATOM 46 CG2 THR A 3 -28.995 17.135 18.335 1.00 0.00 C ATOM 0 H THR A 3 -28.026 19.537 14.842 1.00 0.00 H new ATOM 0 HA THR A 3 -27.453 18.401 16.563 1.00 0.00 H new ATOM 0 HB THR A 3 -30.176 17.129 16.512 1.00 0.00 H new ATOM 0 HG1 THR A 3 -30.773 18.906 17.908 1.00 0.00 H new ATOM 0 HG21 THR A 3 -29.851 17.060 19.006 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.590 16.140 18.151 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.228 17.759 18.794 1.00 0.00 H new ATOM 54 N ILE A 4 -26.361 16.377 15.702 1.00 0.00 N ATOM 55 CA ILE A 4 -25.630 15.291 15.072 1.00 0.00 C ATOM 56 C ILE A 4 -25.221 14.313 16.174 1.00 0.00 C ATOM 57 O ILE A 4 -24.140 14.418 16.743 1.00 0.00 O ATOM 58 CB ILE A 4 -24.443 15.815 14.217 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.415 17.323 13.887 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.355 14.988 12.934 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.605 17.889 13.099 1.00 0.00 C ATOM 0 H ILE A 4 -25.759 17.040 16.190 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.257 14.762 14.354 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.569 15.690 14.856 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.338 17.873 14.825 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.506 17.529 13.321 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.525 15.347 12.326 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.193 13.940 13.187 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.285 15.086 12.373 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.458 18.957 12.936 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.679 17.381 12.137 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.524 17.731 13.664 1.00 0.00 H new ATOM 73 N ASN A 5 -26.134 13.402 16.525 1.00 0.00 N ATOM 74 CA ASN A 5 -26.043 12.545 17.699 1.00 0.00 C ATOM 75 C ASN A 5 -24.845 11.600 17.572 1.00 0.00 C ATOM 76 O ASN A 5 -24.955 10.576 16.901 1.00 0.00 O ATOM 77 CB ASN A 5 -27.364 11.779 17.902 1.00 0.00 C ATOM 78 CG ASN A 5 -28.488 12.636 18.490 1.00 0.00 C ATOM 79 OD1 ASN A 5 -28.814 13.774 17.877 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.055 12.288 19.520 1.00 0.00 N flip ATOM 0 H ASN A 5 -26.981 13.240 15.980 1.00 0.00 H new ATOM 0 HA ASN A 5 -25.882 13.160 18.584 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.690 11.375 16.944 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.184 10.930 18.561 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -28.793 11.414 19.976 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -29.789 12.872 19.921 1.00 0.00 H new ATOM 87 N ALA A 6 -23.702 11.964 18.169 1.00 0.00 N ATOM 88 CA ALA A 6 -22.458 11.213 18.080 1.00 0.00 C ATOM 89 C ALA A 6 -22.285 10.405 19.374 1.00 0.00 C ATOM 90 O ALA A 6 -23.251 10.131 20.087 1.00 0.00 O ATOM 91 CB ALA A 6 -21.282 12.170 17.779 1.00 0.00 C ATOM 0 H ALA A 6 -23.622 12.807 18.737 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.480 10.503 17.253 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.356 11.599 17.714 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.461 12.680 16.832 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.199 12.907 18.578 1.00 0.00 H new ATOM 97 N GLU A 7 -21.048 10.018 19.672 1.00 0.00 N ATOM 98 CA GLU A 7 -20.611 9.387 20.908 1.00 0.00 C ATOM 99 C GLU A 7 -19.091 9.554 20.961 1.00 0.00 C ATOM 100 O GLU A 7 -18.412 9.351 19.957 1.00 0.00 O ATOM 101 CB GLU A 7 -21.058 7.913 20.946 1.00 0.00 C ATOM 102 CG GLU A 7 -20.563 7.092 19.746 1.00 0.00 C ATOM 103 CD GLU A 7 -21.603 6.091 19.240 1.00 0.00 C ATOM 104 OE1 GLU A 7 -22.475 6.520 18.449 1.00 0.00 O ATOM 105 OE2 GLU A 7 -21.492 4.895 19.581 1.00 0.00 O ATOM 0 H GLU A 7 -20.279 10.146 19.015 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.060 9.848 21.788 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.693 7.454 21.865 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.147 7.872 20.980 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.293 7.769 18.935 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.657 6.556 20.028 1.00 0.00 H new ATOM 112 N VAL A 8 -18.550 9.977 22.106 1.00 0.00 N ATOM 113 CA VAL A 8 -17.121 10.237 22.276 1.00 0.00 C ATOM 114 C VAL A 8 -16.290 8.987 21.983 1.00 0.00 C ATOM 115 O VAL A 8 -16.663 7.880 22.374 1.00 0.00 O ATOM 116 CB VAL A 8 -16.823 10.753 23.696 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.174 12.235 23.795 1.00 0.00 C ATOM 118 CG2 VAL A 8 -17.562 9.976 24.790 1.00 0.00 C ATOM 0 H VAL A 8 -19.098 10.150 22.949 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.840 11.008 21.558 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.757 10.601 23.864 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.961 12.593 24.802 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.579 12.799 23.076 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.233 12.373 23.578 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.308 10.390 25.766 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.637 10.057 24.630 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.268 8.927 24.753 1.00 0.00 H new ATOM 128 N ARG A 9 -15.146 9.183 21.315 1.00 0.00 N ATOM 129 CA ARG A 9 -14.231 8.087 20.979 1.00 0.00 C ATOM 130 C ARG A 9 -12.776 8.506 21.065 1.00 0.00 C ATOM 131 O ARG A 9 -12.455 9.651 20.775 1.00 0.00 O ATOM 132 CB ARG A 9 -14.569 7.486 19.607 1.00 0.00 C ATOM 133 CG ARG A 9 -15.017 8.439 18.488 1.00 0.00 C ATOM 134 CD ARG A 9 -13.942 9.275 17.796 1.00 0.00 C ATOM 135 NE ARG A 9 -13.046 8.416 17.030 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.288 8.716 15.964 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.133 9.964 15.511 1.00 0.00 N ATOM 138 NH2 ARG A 9 -11.661 7.721 15.344 1.00 0.00 N ATOM 0 H ARG A 9 -14.831 10.099 20.995 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.373 7.308 21.728 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.690 6.947 19.254 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.358 6.748 19.752 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.524 7.847 17.726 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.757 9.122 18.905 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.409 10.005 17.135 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.373 9.835 18.539 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.987 7.449 17.350 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.602 10.739 15.980 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.546 10.142 14.696 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.764 6.764 15.682 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.077 7.915 14.530 1.00 0.00 H new ATOM 152 N LYS A 10 -11.898 7.559 21.419 1.00 0.00 N ATOM 153 CA LYS A 10 -10.446 7.734 21.492 1.00 0.00 C ATOM 154 C LYS A 10 -9.660 6.586 20.825 1.00 0.00 C ATOM 155 O LYS A 10 -8.443 6.674 20.699 1.00 0.00 O ATOM 156 CB LYS A 10 -10.013 7.982 22.942 1.00 0.00 C ATOM 157 CG LYS A 10 -10.400 9.377 23.477 1.00 0.00 C ATOM 158 CD LYS A 10 -9.592 10.554 22.887 1.00 0.00 C ATOM 159 CE LYS A 10 -10.235 11.266 21.683 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.319 12.282 21.117 1.00 0.00 N ATOM 0 H LYS A 10 -12.193 6.616 21.671 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.194 8.619 20.908 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.461 7.221 23.581 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.932 7.862 23.014 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.458 9.546 23.275 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.278 9.380 24.560 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.427 11.289 23.675 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.612 10.184 22.586 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.490 10.534 20.917 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.166 11.742 21.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.874 13.055 20.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.712 12.661 21.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.726 11.845 20.383 1.00 0.00 H new ATOM 174 N GLU A 11 -10.358 5.560 20.325 1.00 0.00 N ATOM 175 CA GLU A 11 -9.877 4.395 19.560 1.00 0.00 C ATOM 176 C GLU A 11 -9.298 4.720 18.162 1.00 0.00 C ATOM 177 O GLU A 11 -9.140 3.816 17.339 1.00 0.00 O ATOM 178 CB GLU A 11 -10.998 3.318 19.455 1.00 0.00 C ATOM 179 CG GLU A 11 -12.453 3.787 19.668 1.00 0.00 C ATOM 180 CD GLU A 11 -12.863 3.803 21.141 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.145 2.706 21.674 1.00 0.00 O ATOM 182 OE2 GLU A 11 -12.893 4.923 21.699 1.00 0.00 O ATOM 0 H GLU A 11 -11.369 5.517 20.456 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.032 4.006 20.128 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.933 2.858 18.469 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.785 2.537 20.185 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.572 4.788 19.252 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.126 3.131 19.116 1.00 0.00 H new ATOM 189 N GLN A 12 -9.012 5.994 17.864 1.00 0.00 N ATOM 190 CA GLN A 12 -8.729 6.495 16.517 1.00 0.00 C ATOM 191 C GLN A 12 -7.720 5.666 15.724 1.00 0.00 C ATOM 192 O GLN A 12 -8.007 5.372 14.567 1.00 0.00 O ATOM 193 CB GLN A 12 -8.322 7.977 16.492 1.00 0.00 C ATOM 194 CG GLN A 12 -7.776 8.632 17.759 1.00 0.00 C ATOM 195 CD GLN A 12 -8.850 9.222 18.686 1.00 0.00 C ATOM 196 OE1 GLN A 12 -8.520 9.969 19.597 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.143 8.929 18.503 1.00 0.00 N ATOM 0 H GLN A 12 -8.970 6.724 18.575 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.690 6.391 16.013 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.568 8.095 15.713 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.195 8.550 16.180 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.200 7.893 18.316 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.085 9.425 17.474 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.423 8.307 17.745 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.849 9.328 19.122 1.00 0.00 H new ATOM 206 N GLY A 13 -6.615 5.285 16.381 1.00 0.00 N ATOM 207 CA GLY A 13 -5.454 4.516 15.902 1.00 0.00 C ATOM 208 C GLY A 13 -5.681 3.815 14.560 1.00 0.00 C ATOM 209 O GLY A 13 -5.002 4.084 13.577 1.00 0.00 O ATOM 0 H GLY A 13 -6.499 5.533 17.364 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.600 5.187 15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.192 3.768 16.651 1.00 0.00 H new ATOM 213 N LYS A 14 -6.638 2.886 14.568 1.00 0.00 N ATOM 214 CA LYS A 14 -7.395 2.351 13.431 1.00 0.00 C ATOM 215 C LYS A 14 -8.535 1.469 13.954 1.00 0.00 C ATOM 216 O LYS A 14 -9.433 1.150 13.180 1.00 0.00 O ATOM 217 CB LYS A 14 -6.541 1.596 12.384 1.00 0.00 C ATOM 218 CG LYS A 14 -6.009 2.508 11.250 1.00 0.00 C ATOM 219 CD LYS A 14 -6.414 2.072 9.835 1.00 0.00 C ATOM 220 CE LYS A 14 -5.749 2.969 8.777 1.00 0.00 C ATOM 221 NZ LYS A 14 -4.327 2.655 8.559 1.00 0.00 N ATOM 0 H LYS A 14 -6.929 2.451 15.443 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.794 3.209 12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.697 1.124 12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.139 0.796 11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.368 3.523 11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.921 2.541 11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.124 1.034 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.498 2.121 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.286 2.866 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.841 4.011 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.937 3.293 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.804 2.780 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.234 1.670 8.238 1.00 0.00 H new ATOM 235 N GLY A 15 -8.540 1.125 15.253 1.00 0.00 N ATOM 236 CA GLY A 15 -9.587 0.394 15.953 1.00 0.00 C ATOM 237 C GLY A 15 -10.976 0.988 15.785 1.00 0.00 C ATOM 238 O GLY A 15 -11.958 0.260 15.640 1.00 0.00 O ATOM 0 H GLY A 15 -7.765 1.368 15.870 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.598 -0.636 15.595 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.344 0.360 17.015 1.00 0.00 H new ATOM 242 N ALA A 16 -11.053 2.318 15.794 1.00 0.00 N ATOM 243 CA ALA A 16 -12.264 3.050 15.500 1.00 0.00 C ATOM 244 C ALA A 16 -12.493 3.143 13.997 1.00 0.00 C ATOM 245 O ALA A 16 -13.588 2.891 13.508 1.00 0.00 O ATOM 246 CB ALA A 16 -12.148 4.440 16.068 1.00 0.00 C ATOM 0 H ALA A 16 -10.257 2.918 16.010 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.107 2.524 15.948 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.058 4.999 15.850 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.007 4.381 17.147 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.294 4.947 15.618 1.00 0.00 H new ATOM 252 N SER A 17 -11.456 3.521 13.252 1.00 0.00 N ATOM 253 CA SER A 17 -11.610 3.803 11.826 1.00 0.00 C ATOM 254 C SER A 17 -12.127 2.585 11.050 1.00 0.00 C ATOM 255 O SER A 17 -12.848 2.751 10.069 1.00 0.00 O ATOM 256 CB SER A 17 -10.297 4.312 11.241 1.00 0.00 C ATOM 257 OG SER A 17 -9.956 5.533 11.864 1.00 0.00 O ATOM 0 H SER A 17 -10.507 3.638 13.608 1.00 0.00 H new ATOM 0 HA SER A 17 -12.363 4.584 11.723 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.507 3.577 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.395 4.453 10.165 1.00 0.00 H new ATOM 0 HG SER A 17 -9.399 5.355 12.651 1.00 0.00 H new ATOM 263 N ARG A 18 -11.834 1.374 11.543 1.00 0.00 N ATOM 264 CA ARG A 18 -12.380 0.117 11.081 1.00 0.00 C ATOM 265 C ARG A 18 -13.813 -0.013 11.573 1.00 0.00 C ATOM 266 O ARG A 18 -14.654 -0.172 10.718 1.00 0.00 O ATOM 267 CB ARG A 18 -11.502 -1.089 11.484 1.00 0.00 C ATOM 268 CG ARG A 18 -11.503 -1.349 12.995 1.00 0.00 C ATOM 269 CD ARG A 18 -10.512 -2.373 13.502 1.00 0.00 C ATOM 270 NE ARG A 18 -10.998 -3.733 13.208 1.00 0.00 N ATOM 271 CZ ARG A 18 -10.506 -4.639 12.351 1.00 0.00 C ATOM 272 NH1 ARG A 18 -9.485 -4.351 11.536 1.00 0.00 N ATOM 273 NH2 ARG A 18 -11.054 -5.859 12.342 1.00 0.00 N ATOM 0 H ARG A 18 -11.176 1.252 12.313 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.384 0.113 9.991 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.858 -1.980 10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.479 -0.915 11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.309 -0.405 13.504 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.504 -1.669 13.286 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.541 -2.215 13.032 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.370 -2.253 14.576 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.824 -4.026 13.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.062 -3.423 11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.130 -5.059 10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.823 -6.077 12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.703 -6.571 11.702 1.00 0.00 H new ATOM 287 N ARG A 19 -14.121 0.047 12.881 1.00 0.00 N ATOM 288 CA ARG A 19 -15.421 -0.390 13.426 1.00 0.00 C ATOM 289 C ARG A 19 -16.549 0.484 12.866 1.00 0.00 C ATOM 290 O ARG A 19 -17.588 -0.020 12.430 1.00 0.00 O ATOM 291 CB ARG A 19 -15.412 -0.440 14.975 1.00 0.00 C ATOM 292 CG ARG A 19 -15.298 0.957 15.597 1.00 0.00 C ATOM 293 CD ARG A 19 -15.073 1.103 17.099 1.00 0.00 C ATOM 294 NE ARG A 19 -13.955 0.305 17.632 1.00 0.00 N ATOM 295 CZ ARG A 19 -13.549 0.318 18.913 1.00 0.00 C ATOM 296 NH1 ARG A 19 -14.297 0.912 19.849 1.00 0.00 N ATOM 297 NH2 ARG A 19 -12.381 -0.232 19.262 1.00 0.00 N ATOM 0 H ARG A 19 -13.477 0.399 13.590 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.606 -1.414 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.325 -0.920 15.327 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.578 -1.056 15.312 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.479 1.471 15.094 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.212 1.498 15.351 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.893 2.154 17.326 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -15.987 0.817 17.620 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.453 -0.301 16.982 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.178 1.357 19.591 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.986 0.920 20.821 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.790 -0.666 18.553 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.081 -0.217 20.237 1.00 0.00 H new ATOM 311 N LEU A 20 -16.290 1.795 12.817 1.00 0.00 N ATOM 312 CA LEU A 20 -17.156 2.782 12.222 1.00 0.00 C ATOM 313 C LEU A 20 -17.422 2.431 10.765 1.00 0.00 C ATOM 314 O LEU A 20 -18.573 2.157 10.413 1.00 0.00 O ATOM 315 CB LEU A 20 -16.520 4.170 12.364 1.00 0.00 C ATOM 316 CG LEU A 20 -16.748 4.772 13.760 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.551 4.750 14.690 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.086 6.251 13.628 1.00 0.00 C ATOM 0 H LEU A 20 -15.438 2.198 13.208 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.116 2.793 12.738 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.450 4.099 12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.936 4.838 11.610 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.537 4.149 14.180 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.824 5.199 15.645 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.234 3.720 14.851 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.733 5.316 14.244 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.248 6.677 14.618 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.262 6.770 13.140 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.991 6.366 13.032 1.00 0.00 H new ATOM 330 N ARG A 21 -16.364 2.392 9.939 1.00 0.00 N ATOM 331 CA ARG A 21 -16.445 2.037 8.535 1.00 0.00 C ATOM 332 C ARG A 21 -17.008 0.633 8.321 1.00 0.00 C ATOM 333 O ARG A 21 -17.557 0.353 7.256 1.00 0.00 O ATOM 334 CB ARG A 21 -15.014 2.184 8.008 1.00 0.00 C ATOM 335 CG ARG A 21 -14.820 2.057 6.501 1.00 0.00 C ATOM 336 CD ARG A 21 -13.321 2.062 6.166 1.00 0.00 C ATOM 337 NE ARG A 21 -12.594 3.273 6.603 1.00 0.00 N ATOM 338 CZ ARG A 21 -11.275 3.489 6.431 1.00 0.00 C ATOM 339 NH1 ARG A 21 -10.508 2.593 5.798 1.00 0.00 N ATOM 340 NH2 ARG A 21 -10.701 4.607 6.885 1.00 0.00 N ATOM 0 H ARG A 21 -15.416 2.612 10.245 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.138 2.682 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.636 3.158 8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.394 1.432 8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.279 1.135 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.319 2.881 5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.857 1.190 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.203 1.953 5.088 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.133 4.002 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.920 1.732 5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.511 2.771 5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.262 5.309 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.702 4.759 6.749 1.00 0.00 H new ATOM 354 N ALA A 22 -16.896 -0.226 9.338 1.00 0.00 N ATOM 355 CA ALA A 22 -17.291 -1.626 9.257 1.00 0.00 C ATOM 356 C ALA A 22 -18.791 -1.831 9.501 1.00 0.00 C ATOM 357 O ALA A 22 -19.295 -2.905 9.172 1.00 0.00 O ATOM 358 CB ALA A 22 -16.445 -2.468 10.219 1.00 0.00 C ATOM 0 H ALA A 22 -16.523 0.039 10.250 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.103 -1.963 8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.748 -3.513 10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.392 -2.377 9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -16.593 -2.113 11.239 1.00 0.00 H new ATOM 364 N ALA A 23 -19.514 -0.818 10.009 1.00 0.00 N ATOM 365 CA ALA A 23 -20.964 -0.789 9.971 1.00 0.00 C ATOM 366 C ALA A 23 -21.370 0.163 8.859 1.00 0.00 C ATOM 367 O ALA A 23 -21.620 -0.295 7.747 1.00 0.00 O ATOM 368 CB ALA A 23 -21.516 -0.424 11.356 1.00 0.00 C ATOM 0 H ALA A 23 -19.097 -0.001 10.455 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.394 -1.764 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.605 -0.404 11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.191 -1.167 12.085 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.145 0.558 11.648 1.00 0.00 H new ATOM 374 N ASN A 24 -21.440 1.464 9.155 1.00 0.00 N ATOM 375 CA ASN A 24 -21.909 2.519 8.278 1.00 0.00 C ATOM 376 C ASN A 24 -21.577 3.920 8.821 1.00 0.00 C ATOM 377 O ASN A 24 -22.019 4.929 8.269 1.00 0.00 O ATOM 378 CB ASN A 24 -23.430 2.367 8.092 1.00 0.00 C ATOM 379 CG ASN A 24 -23.808 2.141 6.632 1.00 0.00 C ATOM 380 OD1 ASN A 24 -24.366 3.012 5.971 1.00 0.00 O ATOM 381 ND2 ASN A 24 -23.501 0.948 6.128 1.00 0.00 N ATOM 0 H ASN A 24 -21.153 1.820 10.067 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.396 2.423 7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.787 1.530 8.692 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.932 3.261 8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -23.730 0.730 5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -23.037 0.252 6.712 1.00 0.00 H new ATOM 388 N LYS A 25 -20.832 3.982 9.927 1.00 0.00 N ATOM 389 CA LYS A 25 -20.490 5.179 10.666 1.00 0.00 C ATOM 390 C LYS A 25 -19.104 5.608 10.182 1.00 0.00 C ATOM 391 O LYS A 25 -18.475 4.918 9.375 1.00 0.00 O ATOM 392 CB LYS A 25 -20.563 4.847 12.172 1.00 0.00 C ATOM 393 CG LYS A 25 -21.978 4.392 12.591 1.00 0.00 C ATOM 394 CD LYS A 25 -22.068 3.932 14.051 1.00 0.00 C ATOM 395 CE LYS A 25 -22.178 5.099 15.035 1.00 0.00 C ATOM 396 NZ LYS A 25 -22.207 4.608 16.425 1.00 0.00 N ATOM 0 H LYS A 25 -20.432 3.143 10.348 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.172 6.013 10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.844 4.062 12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.277 5.724 12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.676 5.214 12.434 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.295 3.576 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.934 3.280 14.169 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.187 3.339 14.295 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.334 5.775 14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.082 5.672 14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.533 5.369 17.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.857 3.799 16.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.252 4.310 16.708 1.00 0.00 H new ATOM 410 N PHE A 26 -18.612 6.756 10.645 1.00 0.00 N ATOM 411 CA PHE A 26 -17.302 7.261 10.269 1.00 0.00 C ATOM 412 C PHE A 26 -16.949 8.388 11.251 1.00 0.00 C ATOM 413 O PHE A 26 -17.848 8.993 11.844 1.00 0.00 O ATOM 414 CB PHE A 26 -17.276 7.717 8.796 1.00 0.00 C ATOM 415 CG PHE A 26 -17.856 9.085 8.553 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.114 9.418 9.084 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.101 10.050 7.864 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.574 10.728 9.007 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.596 11.354 7.735 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.821 11.691 8.322 1.00 0.00 C ATOM 0 H PHE A 26 -19.116 7.361 11.293 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.549 6.476 10.335 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.244 7.706 8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.825 6.992 8.195 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.722 8.658 9.551 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.145 9.787 7.436 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.509 11.002 9.474 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.035 12.096 7.185 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.190 12.703 8.246 1.00 0.00 H new ATOM 430 N PRO A 27 -15.655 8.635 11.497 1.00 0.00 N ATOM 431 CA PRO A 27 -15.243 9.542 12.557 1.00 0.00 C ATOM 432 C PRO A 27 -15.552 11.011 12.244 1.00 0.00 C ATOM 433 O PRO A 27 -15.751 11.397 11.090 1.00 0.00 O ATOM 434 CB PRO A 27 -13.745 9.281 12.733 1.00 0.00 C ATOM 435 CG PRO A 27 -13.301 8.635 11.421 1.00 0.00 C ATOM 436 CD PRO A 27 -14.531 7.843 11.022 1.00 0.00 C ATOM 0 HA PRO A 27 -15.798 9.358 13.477 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.202 10.207 12.921 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.556 8.623 13.581 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.035 9.379 10.670 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.430 7.994 11.557 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.576 7.700 9.942 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.527 6.851 11.475 1.00 0.00 H new ATOM 444 N ALA A 28 -15.526 11.829 13.301 1.00 0.00 N ATOM 445 CA ALA A 28 -15.361 13.273 13.242 1.00 0.00 C ATOM 446 C ALA A 28 -14.435 13.734 14.373 1.00 0.00 C ATOM 447 O ALA A 28 -13.996 12.935 15.212 1.00 0.00 O ATOM 448 CB ALA A 28 -16.718 13.986 13.304 1.00 0.00 C ATOM 0 H ALA A 28 -15.624 11.483 14.256 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.903 13.537 12.289 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.565 15.064 13.258 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.334 13.671 12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.221 13.730 14.237 1.00 0.00 H new ATOM 454 N ILE A 29 -14.194 15.049 14.418 1.00 0.00 N ATOM 455 CA ILE A 29 -13.537 15.731 15.522 1.00 0.00 C ATOM 456 C ILE A 29 -14.284 17.006 15.870 1.00 0.00 C ATOM 457 O ILE A 29 -14.957 17.607 15.038 1.00 0.00 O ATOM 458 CB ILE A 29 -12.061 15.995 15.173 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.152 16.522 16.300 1.00 0.00 C ATOM 460 CG2 ILE A 29 -11.899 16.965 14.009 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.160 15.633 17.530 1.00 0.00 C ATOM 0 H ILE A 29 -14.461 15.680 13.662 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.555 15.096 16.408 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.732 14.985 14.930 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.132 16.608 15.927 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.474 17.525 16.581 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.839 17.115 13.805 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.384 16.555 13.123 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.358 17.920 14.265 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.502 16.056 18.289 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.174 15.567 17.925 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.810 14.636 17.261 1.00 0.00 H new ATOM 473 N ILE A 30 -14.087 17.429 17.113 1.00 0.00 N ATOM 474 CA ILE A 30 -14.516 18.700 17.656 1.00 0.00 C ATOM 475 C ILE A 30 -13.209 19.392 18.041 1.00 0.00 C ATOM 476 O ILE A 30 -12.667 19.144 19.115 1.00 0.00 O ATOM 477 CB ILE A 30 -15.585 18.507 18.770 1.00 0.00 C ATOM 478 CG1 ILE A 30 -16.894 18.028 18.097 1.00 0.00 C ATOM 479 CG2 ILE A 30 -15.796 19.808 19.551 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.076 17.600 18.986 1.00 0.00 C ATOM 0 H ILE A 30 -13.596 16.859 17.802 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.059 19.342 16.963 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.252 17.760 19.491 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.244 18.831 17.448 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.644 17.185 17.453 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -16.547 19.650 20.325 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -14.857 20.111 20.014 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.134 20.590 18.871 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -18.912 17.294 18.357 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -17.772 16.766 19.618 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.382 18.438 19.613 1.00 0.00 H new ATOM 492 N TYR A 31 -12.670 20.203 17.119 1.00 0.00 N ATOM 493 CA TYR A 31 -11.506 21.052 17.335 1.00 0.00 C ATOM 494 C TYR A 31 -11.791 22.082 18.442 1.00 0.00 C ATOM 495 O TYR A 31 -12.904 22.180 18.963 1.00 0.00 O ATOM 496 CB TYR A 31 -11.158 21.875 16.081 1.00 0.00 C ATOM 497 CG TYR A 31 -10.969 21.282 14.702 1.00 0.00 C ATOM 498 CD1 TYR A 31 -10.452 19.994 14.490 1.00 0.00 C ATOM 499 CD2 TYR A 31 -11.121 22.154 13.611 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.040 19.608 13.198 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.718 21.778 12.326 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.148 20.506 12.114 1.00 0.00 C ATOM 503 OH TYR A 31 -9.796 20.119 10.857 1.00 0.00 O ATOM 0 H TYR A 31 -13.049 20.283 16.176 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.688 20.382 17.598 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -11.942 22.626 15.984 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.235 22.406 16.313 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.370 19.301 15.314 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.556 23.130 13.767 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.639 18.618 13.036 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.843 22.460 11.498 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.596 20.074 10.293 1.00 0.00 H new ATOM 574 N PRO A 37 -9.177 19.030 21.934 1.00 0.00 N ATOM 575 CA PRO A 37 -10.155 18.439 21.010 1.00 0.00 C ATOM 576 C PRO A 37 -11.192 17.511 21.654 1.00 0.00 C ATOM 577 O PRO A 37 -11.161 17.286 22.865 1.00 0.00 O ATOM 578 CB PRO A 37 -9.341 17.639 19.992 1.00 0.00 C ATOM 579 CG PRO A 37 -7.912 18.081 20.227 1.00 0.00 C ATOM 580 CD PRO A 37 -7.863 18.484 21.666 1.00 0.00 C ATOM 0 HA PRO A 37 -10.739 19.253 20.581 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.456 16.566 20.145 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.661 17.851 18.972 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.210 17.274 20.019 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.644 18.912 19.575 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.649 17.631 22.310 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.082 19.223 21.845 1.00 0.00 H new ATOM 588 N LEU A 38 -12.078 16.924 20.824 1.00 0.00 N ATOM 589 CA LEU A 38 -12.972 15.852 21.255 1.00 0.00 C ATOM 590 C LEU A 38 -13.456 15.053 20.047 1.00 0.00 C ATOM 591 O LEU A 38 -14.346 15.488 19.320 1.00 0.00 O ATOM 592 CB LEU A 38 -14.169 16.418 22.028 1.00 0.00 C ATOM 593 CG LEU A 38 -15.042 15.283 22.604 1.00 0.00 C ATOM 594 CD1 LEU A 38 -14.685 15.108 24.076 1.00 0.00 C ATOM 595 CD2 LEU A 38 -16.516 15.631 22.440 1.00 0.00 C ATOM 0 H LEU A 38 -12.187 17.184 19.844 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.417 15.190 21.920 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.815 17.056 22.838 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.769 17.044 21.368 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.858 14.350 22.072 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.291 14.310 24.505 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.630 14.851 24.166 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.879 16.038 24.611 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.127 14.826 22.848 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.733 16.557 22.972 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.744 15.759 21.382 1.00 0.00 H new ATOM 607 N ALA A 39 -12.856 13.887 19.810 1.00 0.00 N ATOM 608 CA ALA A 39 -13.252 13.031 18.704 1.00 0.00 C ATOM 609 C ALA A 39 -14.562 12.311 19.048 1.00 0.00 C ATOM 610 O ALA A 39 -14.728 11.849 20.178 1.00 0.00 O ATOM 611 CB ALA A 39 -12.105 12.076 18.409 1.00 0.00 C ATOM 0 H ALA A 39 -12.091 13.517 20.374 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.448 13.610 17.802 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.380 11.422 17.581 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.216 12.647 18.141 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.897 11.473 19.293 1.00 0.00 H new ATOM 617 N ILE A 40 -15.493 12.219 18.086 1.00 0.00 N ATOM 618 CA ILE A 40 -16.832 11.687 18.255 1.00 0.00 C ATOM 619 C ILE A 40 -17.157 10.812 17.026 1.00 0.00 C ATOM 620 O ILE A 40 -16.918 11.204 15.884 1.00 0.00 O ATOM 621 CB ILE A 40 -17.851 12.827 18.459 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.117 13.762 17.257 1.00 0.00 C ATOM 623 CG2 ILE A 40 -17.554 13.630 19.734 1.00 0.00 C ATOM 624 CD1 ILE A 40 -16.948 14.653 16.849 1.00 0.00 C ATOM 0 H ILE A 40 -15.314 12.530 17.131 1.00 0.00 H new ATOM 0 HA ILE A 40 -16.891 11.069 19.151 1.00 0.00 H new ATOM 0 HB ILE A 40 -18.793 12.290 18.569 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.403 13.152 16.400 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -18.970 14.397 17.495 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.292 14.424 19.844 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -17.600 12.969 20.599 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -16.558 14.068 19.665 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.239 15.268 15.998 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.672 15.297 17.684 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.096 14.032 16.573 1.00 0.00 H new ATOM 636 N GLU A 41 -17.667 9.606 17.275 1.00 0.00 N ATOM 637 CA GLU A 41 -18.175 8.636 16.317 1.00 0.00 C ATOM 638 C GLU A 41 -19.599 9.026 15.936 1.00 0.00 C ATOM 639 O GLU A 41 -20.435 9.196 16.819 1.00 0.00 O ATOM 640 CB GLU A 41 -18.101 7.234 16.968 1.00 0.00 C ATOM 641 CG GLU A 41 -19.098 6.182 16.444 1.00 0.00 C ATOM 642 CD GLU A 41 -18.729 4.729 16.788 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.665 4.494 17.403 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.526 3.852 16.389 1.00 0.00 O ATOM 0 H GLU A 41 -17.739 9.258 18.231 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.583 8.618 15.402 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.092 6.846 16.831 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.256 7.347 18.041 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.085 6.400 16.852 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.173 6.278 15.361 1.00 0.00 H new ATOM 651 N LEU A 42 -19.889 9.152 14.634 1.00 0.00 N ATOM 652 CA LEU A 42 -21.242 9.430 14.171 1.00 0.00 C ATOM 653 C LEU A 42 -21.578 8.688 12.881 1.00 0.00 C ATOM 654 O LEU A 42 -20.711 8.131 12.212 1.00 0.00 O ATOM 655 CB LEU A 42 -21.489 10.946 14.056 1.00 0.00 C ATOM 656 CG LEU A 42 -20.920 11.652 12.805 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.649 12.967 12.624 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.441 12.006 12.926 1.00 0.00 C ATOM 0 H LEU A 42 -19.199 9.065 13.887 1.00 0.00 H new ATOM 0 HA LEU A 42 -21.928 9.045 14.925 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.565 11.118 14.083 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.067 11.427 14.939 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.049 10.958 11.975 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.260 13.480 11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.714 12.777 12.492 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.498 13.591 13.505 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.109 12.499 12.012 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.295 12.676 13.773 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.860 11.096 13.079 1.00 0.00 H new ATOM 670 N ASP A 43 -22.868 8.707 12.542 1.00 0.00 N ATOM 671 CA ASP A 43 -23.419 8.118 11.340 1.00 0.00 C ATOM 672 C ASP A 43 -23.117 9.026 10.151 1.00 0.00 C ATOM 673 O ASP A 43 -23.258 10.248 10.248 1.00 0.00 O ATOM 674 CB ASP A 43 -24.932 7.951 11.504 1.00 0.00 C ATOM 675 CG ASP A 43 -25.494 7.088 10.382 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.352 5.852 10.490 1.00 0.00 O ATOM 677 OD2 ASP A 43 -26.014 7.693 9.420 1.00 0.00 O ATOM 0 H ASP A 43 -23.577 9.152 13.125 1.00 0.00 H new ATOM 0 HA ASP A 43 -22.970 7.140 11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.152 7.493 12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.415 8.928 11.497 1.00 0.00 H new ATOM 682 N HIS A 44 -22.720 8.415 9.034 1.00 0.00 N ATOM 683 CA HIS A 44 -22.450 9.102 7.785 1.00 0.00 C ATOM 684 C HIS A 44 -23.727 9.586 7.115 1.00 0.00 C ATOM 685 O HIS A 44 -23.794 10.762 6.781 1.00 0.00 O ATOM 686 CB HIS A 44 -21.712 8.134 6.858 1.00 0.00 C ATOM 687 CG HIS A 44 -21.584 8.625 5.439 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.310 9.914 5.047 1.00 0.00 N ATOM 689 CD2 HIS A 44 -21.888 7.903 4.318 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.467 9.967 3.714 1.00 0.00 C ATOM 691 NE2 HIS A 44 -21.805 8.768 3.226 1.00 0.00 N ATOM 0 H HIS A 44 -22.576 7.407 8.979 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.843 9.983 7.992 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.716 7.950 7.260 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.236 7.178 6.855 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -21.038 10.686 5.655 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -22.145 6.855 4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.338 10.857 3.117 1.00 0.00 H new ATOM 699 N ASP A 45 -24.705 8.705 6.874 1.00 0.00 N ATOM 700 CA ASP A 45 -25.908 9.046 6.108 1.00 0.00 C ATOM 701 C ASP A 45 -26.708 10.183 6.763 1.00 0.00 C ATOM 702 O ASP A 45 -27.306 11.011 6.076 1.00 0.00 O ATOM 703 CB ASP A 45 -26.776 7.795 5.940 1.00 0.00 C ATOM 704 CG ASP A 45 -27.802 7.986 4.822 1.00 0.00 C ATOM 705 OD1 ASP A 45 -27.364 7.995 3.649 1.00 0.00 O ATOM 706 OD2 ASP A 45 -29.001 8.115 5.153 1.00 0.00 O ATOM 0 H ASP A 45 -24.685 7.740 7.203 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.596 9.407 5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.143 6.936 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.289 7.576 6.876 1.00 0.00 H new ATOM 711 N LYS A 46 -26.633 10.258 8.097 1.00 0.00 N ATOM 712 CA LYS A 46 -27.068 11.363 8.936 1.00 0.00 C ATOM 713 C LYS A 46 -26.307 12.630 8.553 1.00 0.00 C ATOM 714 O LYS A 46 -26.846 13.456 7.820 1.00 0.00 O ATOM 715 CB LYS A 46 -26.794 10.938 10.378 1.00 0.00 C ATOM 716 CG LYS A 46 -27.039 12.002 11.443 1.00 0.00 C ATOM 717 CD LYS A 46 -26.728 11.458 12.828 1.00 0.00 C ATOM 718 CE LYS A 46 -25.266 11.118 13.117 1.00 0.00 C ATOM 719 NZ LYS A 46 -25.180 10.147 14.224 1.00 0.00 N ATOM 0 H LYS A 46 -26.240 9.495 8.648 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.127 11.589 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.417 10.073 10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.756 10.612 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -26.418 12.875 11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.077 12.333 11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -27.059 12.190 13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.324 10.559 12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -24.797 10.705 12.224 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -24.718 12.024 13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -24.201 9.807 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -25.469 10.606 15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -25.809 9.342 14.030 1.00 0.00 H new ATOM 733 N VAL A 47 -25.071 12.799 9.051 1.00 0.00 N ATOM 734 CA VAL A 47 -24.290 14.012 8.840 1.00 0.00 C ATOM 735 C VAL A 47 -24.165 14.435 7.377 1.00 0.00 C ATOM 736 O VAL A 47 -24.026 15.618 7.095 1.00 0.00 O ATOM 737 CB VAL A 47 -22.931 13.876 9.490 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.968 13.036 8.692 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.312 15.247 9.755 1.00 0.00 C ATOM 0 H VAL A 47 -24.592 12.093 9.610 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.846 14.818 9.319 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.106 13.360 10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.014 12.980 9.216 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.375 12.032 8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.818 13.487 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.336 15.121 10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.197 15.782 8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.962 15.817 10.419 1.00 0.00 H new ATOM 749 N MET A 48 -24.241 13.481 6.453 1.00 0.00 N ATOM 750 CA MET A 48 -24.396 13.721 5.034 1.00 0.00 C ATOM 751 C MET A 48 -25.557 14.676 4.812 1.00 0.00 C ATOM 752 O MET A 48 -25.322 15.807 4.418 1.00 0.00 O ATOM 753 CB MET A 48 -24.536 12.414 4.242 1.00 0.00 C ATOM 754 CG MET A 48 -25.053 12.611 2.810 1.00 0.00 C ATOM 755 SD MET A 48 -24.340 13.926 1.775 1.00 0.00 S ATOM 756 CE MET A 48 -22.574 13.688 2.052 1.00 0.00 C ATOM 0 H MET A 48 -24.194 12.489 6.686 1.00 0.00 H new ATOM 0 HA MET A 48 -23.491 14.191 4.649 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.566 11.918 4.203 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.214 11.748 4.775 1.00 0.00 H new ATOM 0 HG2 MET A 48 -24.916 11.668 2.281 1.00 0.00 H new ATOM 0 HG3 MET A 48 -26.127 12.789 2.872 1.00 0.00 H new ATOM 0 HE1 MET A 48 -22.011 14.202 1.273 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.300 14.094 3.026 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.342 12.623 2.025 1.00 0.00 H new ATOM 766 N ASN A 49 -26.788 14.286 5.135 1.00 0.00 N ATOM 767 CA ASN A 49 -27.945 15.163 5.026 1.00 0.00 C ATOM 768 C ASN A 49 -27.794 16.475 5.799 1.00 0.00 C ATOM 769 O ASN A 49 -28.520 17.430 5.515 1.00 0.00 O ATOM 770 CB ASN A 49 -29.149 14.391 5.569 1.00 0.00 C ATOM 771 CG ASN A 49 -30.488 15.119 5.479 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.798 15.786 4.497 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.305 14.976 6.520 1.00 0.00 N ATOM 0 H ASN A 49 -27.009 13.352 5.480 1.00 0.00 H new ATOM 0 HA ASN A 49 -28.064 15.442 3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.230 13.449 5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.959 14.143 6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.219 15.428 6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -31.017 14.414 7.321 1.00 0.00 H new ATOM 780 N MET A 50 -26.862 16.546 6.757 1.00 0.00 N ATOM 781 CA MET A 50 -26.668 17.711 7.564 1.00 0.00 C ATOM 782 C MET A 50 -25.752 18.687 6.811 1.00 0.00 C ATOM 783 O MET A 50 -26.238 19.723 6.377 1.00 0.00 O ATOM 784 CB MET A 50 -26.121 17.271 8.919 1.00 0.00 C ATOM 785 CG MET A 50 -26.886 16.199 9.661 1.00 0.00 C ATOM 786 SD MET A 50 -28.443 16.692 10.420 1.00 0.00 S ATOM 787 CE MET A 50 -28.187 15.722 11.920 1.00 0.00 C ATOM 0 H MET A 50 -26.227 15.780 6.979 1.00 0.00 H new ATOM 0 HA MET A 50 -27.600 18.243 7.754 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.101 16.917 8.772 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.064 18.150 9.561 1.00 0.00 H new ATOM 0 HG2 MET A 50 -27.090 15.384 8.966 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.239 15.798 10.442 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.115 15.218 12.190 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.409 14.979 11.745 1.00 0.00 H new ATOM 0 HE3 MET A 50 -27.883 16.382 12.732 1.00 0.00 H new ATOM 797 N GLN A 51 -24.466 18.362 6.581 1.00 0.00 N ATOM 798 CA GLN A 51 -23.541 19.200 5.789 1.00 0.00 C ATOM 799 C GLN A 51 -23.980 19.408 4.340 1.00 0.00 C ATOM 800 O GLN A 51 -23.390 20.221 3.629 1.00 0.00 O ATOM 801 CB GLN A 51 -22.079 18.709 5.870 1.00 0.00 C ATOM 802 CG GLN A 51 -21.656 17.351 5.315 1.00 0.00 C ATOM 803 CD GLN A 51 -21.861 17.232 3.821 1.00 0.00 C ATOM 804 OE1 GLN A 51 -21.067 17.717 3.024 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.944 16.572 3.451 1.00 0.00 N ATOM 0 H GLN A 51 -24.036 17.509 6.939 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.585 20.182 6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.466 19.459 5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.800 18.720 6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.604 17.182 5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -22.223 16.567 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.573 16.188 4.156 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -23.151 16.447 2.460 1.00 0.00 H new ATOM 814 N ALA A 52 -25.021 18.693 3.907 1.00 0.00 N ATOM 815 CA ALA A 52 -25.640 18.825 2.626 1.00 0.00 C ATOM 816 C ALA A 52 -26.481 20.102 2.528 1.00 0.00 C ATOM 817 O ALA A 52 -26.997 20.364 1.441 1.00 0.00 O ATOM 818 CB ALA A 52 -26.420 17.550 2.311 1.00 0.00 C ATOM 0 H ALA A 52 -25.462 17.976 4.484 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.874 18.940 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.894 17.646 1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.738 16.699 2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -27.185 17.394 3.072 1.00 0.00 H new ATOM 824 N LYS A 53 -26.582 20.927 3.594 1.00 0.00 N ATOM 825 CA LYS A 53 -27.003 22.312 3.418 1.00 0.00 C ATOM 826 C LYS A 53 -25.970 23.249 4.029 1.00 0.00 C ATOM 827 O LYS A 53 -25.201 22.854 4.905 1.00 0.00 O ATOM 828 CB LYS A 53 -28.419 22.537 3.965 1.00 0.00 C ATOM 829 CG LYS A 53 -28.551 22.359 5.485 1.00 0.00 C ATOM 830 CD LYS A 53 -28.922 20.939 5.899 1.00 0.00 C ATOM 831 CE LYS A 53 -30.400 20.620 5.659 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.705 19.218 6.007 1.00 0.00 N ATOM 0 H LYS A 53 -26.381 20.656 4.557 1.00 0.00 H new ATOM 0 HA LYS A 53 -27.057 22.540 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.741 23.544 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -29.100 21.844 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.608 22.633 5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.308 23.048 5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.307 20.231 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.692 20.801 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -31.021 21.289 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.649 20.801 4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.517 18.890 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -29.878 18.622 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.936 19.154 7.019 1.00 0.00 H new ATOM 846 N ALA A 54 -25.971 24.504 3.573 1.00 0.00 N ATOM 847 CA ALA A 54 -25.017 25.495 4.048 1.00 0.00 C ATOM 848 C ALA A 54 -25.329 25.969 5.466 1.00 0.00 C ATOM 849 O ALA A 54 -24.415 26.374 6.180 1.00 0.00 O ATOM 850 CB ALA A 54 -24.970 26.679 3.077 1.00 0.00 C ATOM 0 H ALA A 54 -26.626 24.853 2.873 1.00 0.00 H new ATOM 0 HA ALA A 54 -24.037 25.020 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.254 27.417 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.664 26.329 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.958 27.134 3.010 1.00 0.00 H new ATOM 856 N GLU A 55 -26.590 25.837 5.895 1.00 0.00 N ATOM 857 CA GLU A 55 -27.058 26.067 7.250 1.00 0.00 C ATOM 858 C GLU A 55 -26.293 25.209 8.271 1.00 0.00 C ATOM 859 O GLU A 55 -26.263 25.537 9.448 1.00 0.00 O ATOM 860 CB GLU A 55 -28.561 25.742 7.352 1.00 0.00 C ATOM 861 CG GLU A 55 -29.449 26.239 6.199 1.00 0.00 C ATOM 862 CD GLU A 55 -30.918 25.844 6.401 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.174 24.627 6.552 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.769 26.758 6.372 1.00 0.00 O ATOM 0 H GLU A 55 -27.342 25.552 5.268 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.882 27.118 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.672 24.660 7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.940 26.166 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.371 27.323 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.087 25.826 5.257 1.00 0.00 H new ATOM 871 N PHE A 56 -25.660 24.113 7.842 1.00 0.00 N ATOM 872 CA PHE A 56 -24.899 23.246 8.724 1.00 0.00 C ATOM 873 C PHE A 56 -23.597 23.878 9.176 1.00 0.00 C ATOM 874 O PHE A 56 -23.244 23.834 10.353 1.00 0.00 O ATOM 875 CB PHE A 56 -24.573 21.975 7.956 1.00 0.00 C ATOM 876 CG PHE A 56 -23.680 20.951 8.631 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.286 20.935 8.429 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.277 19.908 9.344 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.519 19.861 8.920 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.514 18.819 9.799 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.134 18.792 9.585 1.00 0.00 C ATOM 0 H PHE A 56 -25.666 23.808 6.869 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.499 23.052 9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.514 21.485 7.704 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.102 22.263 7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -21.807 21.745 7.899 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.337 19.939 9.548 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.448 19.861 8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -23.996 18.002 10.315 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.546 17.954 9.929 1.00 0.00 H new ATOM 891 N TYR A 57 -22.847 24.391 8.202 1.00 0.00 N ATOM 892 CA TYR A 57 -21.535 24.948 8.473 1.00 0.00 C ATOM 893 C TYR A 57 -21.627 26.414 8.902 1.00 0.00 C ATOM 894 O TYR A 57 -20.753 26.911 9.610 1.00 0.00 O ATOM 895 CB TYR A 57 -20.628 24.740 7.250 1.00 0.00 C ATOM 896 CG TYR A 57 -20.930 25.535 5.990 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.630 26.912 5.930 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.406 24.877 4.838 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.839 27.636 4.744 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.585 25.587 3.638 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.315 26.975 3.589 1.00 0.00 C ATOM 902 OH TYR A 57 -21.500 27.675 2.434 1.00 0.00 O ATOM 0 H TYR A 57 -23.130 24.430 7.223 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.086 24.422 9.315 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.605 24.968 7.551 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.656 23.682 6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.237 27.413 6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.634 23.822 4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.636 28.696 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.929 25.073 2.753 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.830 27.072 1.735 1.00 0.00 H new ATOM 912 N SER A 58 -22.700 27.087 8.476 1.00 0.00 N ATOM 913 CA SER A 58 -22.987 28.480 8.777 1.00 0.00 C ATOM 914 C SER A 58 -23.668 28.617 10.142 1.00 0.00 C ATOM 915 O SER A 58 -23.464 29.634 10.805 1.00 0.00 O ATOM 916 CB SER A 58 -23.867 29.052 7.656 1.00 0.00 C ATOM 917 OG SER A 58 -24.054 30.445 7.796 1.00 0.00 O ATOM 0 H SER A 58 -23.415 26.655 7.891 1.00 0.00 H new ATOM 0 HA SER A 58 -22.055 29.044 8.829 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.408 28.842 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.836 28.552 7.663 1.00 0.00 H new ATOM 0 HG SER A 58 -24.617 30.775 7.065 1.00 0.00 H new ATOM 923 N GLU A 59 -24.445 27.609 10.574 1.00 0.00 N ATOM 924 CA GLU A 59 -25.244 27.674 11.789 1.00 0.00 C ATOM 925 C GLU A 59 -24.913 26.444 12.634 1.00 0.00 C ATOM 926 O GLU A 59 -24.941 25.315 12.149 1.00 0.00 O ATOM 927 CB GLU A 59 -26.759 27.792 11.506 1.00 0.00 C ATOM 928 CG GLU A 59 -27.199 28.436 10.171 1.00 0.00 C ATOM 929 CD GLU A 59 -28.378 29.388 10.369 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.520 28.880 10.427 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.121 30.607 10.477 1.00 0.00 O ATOM 0 H GLU A 59 -24.530 26.722 10.078 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.992 28.583 12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.186 26.790 11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.207 28.366 12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.361 28.979 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.476 27.655 9.463 1.00 0.00 H new ATOM 938 N VAL A 60 -24.568 26.683 13.901 1.00 0.00 N ATOM 939 CA VAL A 60 -24.095 25.693 14.861 1.00 0.00 C ATOM 940 C VAL A 60 -25.004 24.460 14.944 1.00 0.00 C ATOM 941 O VAL A 60 -26.231 24.548 14.859 1.00 0.00 O ATOM 942 CB VAL A 60 -23.919 26.407 16.223 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.200 27.080 16.751 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.422 25.475 17.314 1.00 0.00 C ATOM 0 H VAL A 60 -24.615 27.620 14.302 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.137 25.291 14.532 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.176 27.174 16.005 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -24.992 27.557 17.709 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.537 27.831 16.037 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -25.979 26.328 16.882 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.317 26.030 18.246 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.137 24.664 17.453 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.455 25.062 17.027 1.00 0.00 H new ATOM 954 N LEU A 61 -24.365 23.306 15.162 1.00 0.00 N ATOM 955 CA LEU A 61 -24.983 22.005 15.287 1.00 0.00 C ATOM 956 C LEU A 61 -24.840 21.550 16.742 1.00 0.00 C ATOM 957 O LEU A 61 -23.912 21.984 17.426 1.00 0.00 O ATOM 958 CB LEU A 61 -24.201 21.035 14.402 1.00 0.00 C ATOM 959 CG LEU A 61 -23.966 21.436 12.923 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.015 20.418 12.310 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.168 21.555 11.965 1.00 0.00 C ATOM 0 H LEU A 61 -23.350 23.265 15.259 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.033 22.038 14.997 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.227 20.871 14.863 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -24.723 20.078 14.411 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.598 22.458 13.007 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.830 20.675 11.267 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.073 20.425 12.858 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.460 19.425 12.366 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.817 21.844 10.974 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.680 20.595 11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.858 22.311 12.340 1.00 0.00 H new ATOM 973 N THR A 62 -25.698 20.630 17.203 1.00 0.00 N ATOM 974 CA THR A 62 -25.626 20.101 18.562 1.00 0.00 C ATOM 975 C THR A 62 -25.206 18.629 18.503 1.00 0.00 C ATOM 976 O THR A 62 -26.032 17.766 18.236 1.00 0.00 O ATOM 977 CB THR A 62 -26.967 20.309 19.281 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.450 21.626 19.109 1.00 0.00 O ATOM 979 CG2 THR A 62 -26.848 20.014 20.774 1.00 0.00 C ATOM 0 H THR A 62 -26.455 20.237 16.644 1.00 0.00 H new ATOM 0 HA THR A 62 -24.875 20.637 19.142 1.00 0.00 H new ATOM 0 HB THR A 62 -27.673 19.610 18.831 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.305 21.725 19.577 1.00 0.00 H new ATOM 0 HG21 THR A 62 -27.814 20.171 21.254 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.535 18.980 20.917 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.109 20.681 21.219 1.00 0.00 H new ATOM 987 N ILE A 63 -23.927 18.314 18.713 1.00 0.00 N ATOM 988 CA ILE A 63 -23.464 16.936 18.774 1.00 0.00 C ATOM 989 C ILE A 63 -23.916 16.326 20.096 1.00 0.00 C ATOM 990 O ILE A 63 -23.413 16.700 21.150 1.00 0.00 O ATOM 991 CB ILE A 63 -21.931 16.816 18.668 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.235 17.736 17.665 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.547 15.364 18.401 1.00 0.00 C ATOM 994 CD1 ILE A 63 -21.803 17.839 16.260 1.00 0.00 C ATOM 0 H ILE A 63 -23.190 19.007 18.844 1.00 0.00 H new ATOM 0 HA ILE A 63 -23.892 16.408 17.922 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.566 17.161 19.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.220 18.739 18.091 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.198 17.410 17.580 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.463 15.282 18.327 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -21.903 14.737 19.219 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.001 15.034 17.467 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.198 18.530 15.673 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -21.791 16.856 15.790 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -22.828 18.206 16.308 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.849 15.378 20.044 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.372 14.720 21.230 1.00 0.00 C ATOM 1008 C VAL A 64 -24.573 13.430 21.431 1.00 0.00 C ATOM 1009 O VAL A 64 -24.983 12.373 20.958 1.00 0.00 O ATOM 1010 CB VAL A 64 -26.895 14.573 21.102 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.546 13.884 22.296 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.532 15.960 20.985 1.00 0.00 C ATOM 0 H VAL A 64 -25.263 15.046 19.173 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.241 15.299 22.144 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.061 13.958 20.218 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -28.622 13.816 22.135 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.132 12.882 22.408 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.351 14.461 23.200 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -28.613 15.857 20.894 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.297 16.545 21.874 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.140 16.467 20.103 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.400 13.542 22.076 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.475 12.450 22.360 1.00 0.00 C ATOM 1024 C VAL A 65 -23.079 11.575 23.455 1.00 0.00 C ATOM 1025 O VAL A 65 -22.979 11.890 24.640 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.029 12.932 22.651 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -20.511 13.752 21.476 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -20.840 13.783 23.909 1.00 0.00 C ATOM 0 H VAL A 65 -23.063 14.439 22.426 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.352 11.839 21.466 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.476 12.007 22.813 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -19.495 14.088 21.686 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.511 13.138 20.576 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.155 14.618 21.325 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -19.790 14.060 24.007 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.447 14.685 23.833 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.148 13.211 24.785 1.00 0.00 H new ATOM 1038 N ASP A 66 -23.762 10.499 23.045 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.417 9.546 23.939 1.00 0.00 C ATOM 1040 C ASP A 66 -25.413 10.230 24.905 1.00 0.00 C ATOM 1041 O ASP A 66 -25.676 9.732 25.998 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.324 8.699 24.619 1.00 0.00 C ATOM 1043 CG ASP A 66 -23.870 7.482 25.371 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.701 6.761 24.774 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.419 7.271 26.519 1.00 0.00 O ATOM 0 H ASP A 66 -23.875 10.265 22.059 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.056 8.868 23.374 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.616 8.361 23.863 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -22.770 9.328 25.316 1.00 0.00 H new ATOM 1050 N GLY A 67 -25.957 11.392 24.504 1.00 0.00 N ATOM 1051 CA GLY A 67 -26.923 12.173 25.274 1.00 0.00 C ATOM 1052 C GLY A 67 -26.391 13.513 25.799 1.00 0.00 C ATOM 1053 O GLY A 67 -27.172 14.269 26.374 1.00 0.00 O ATOM 0 H GLY A 67 -25.726 11.821 23.608 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -27.796 12.364 24.650 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.261 11.575 26.120 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.099 13.828 25.614 1.00 0.00 N ATOM 1058 CA LYS A 68 -24.484 15.075 26.077 1.00 0.00 C ATOM 1059 C LYS A 68 -24.368 16.015 24.897 1.00 0.00 C ATOM 1060 O LYS A 68 -23.815 15.639 23.875 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.094 14.796 26.645 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.193 14.132 28.020 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.027 13.175 28.301 1.00 0.00 C ATOM 1064 CE LYS A 68 -20.677 13.900 28.270 1.00 0.00 C ATOM 1065 NZ LYS A 68 -19.558 12.972 28.521 1.00 0.00 N ATOM 0 H LYS A 68 -24.445 13.212 25.131 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.097 15.521 26.860 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -22.540 14.150 25.963 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.535 15.728 26.726 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.219 14.903 28.790 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.132 13.583 28.087 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.167 12.708 29.276 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.027 12.375 27.561 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.543 14.379 27.300 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.670 14.691 29.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.660 13.496 28.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.674 12.533 29.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.550 12.232 27.790 1.00 0.00 H new ATOM 1079 N GLU A 69 -24.898 17.224 25.035 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.256 18.068 23.901 1.00 0.00 C ATOM 1081 C GLU A 69 -24.213 19.172 23.696 1.00 0.00 C ATOM 1082 O GLU A 69 -24.123 20.079 24.524 1.00 0.00 O ATOM 1083 CB GLU A 69 -26.672 18.613 24.140 1.00 0.00 C ATOM 1084 CG GLU A 69 -27.662 17.499 24.519 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.104 17.924 24.241 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.511 17.821 23.062 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -29.770 18.365 25.203 1.00 0.00 O ATOM 0 H GLU A 69 -25.093 17.649 25.941 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.261 17.493 22.975 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.644 19.359 24.934 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.022 19.119 23.240 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.431 16.596 23.954 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.550 17.253 25.575 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.398 19.082 22.628 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.235 19.958 22.441 1.00 0.00 C ATOM 1096 C ILE A 70 -22.516 20.848 21.234 1.00 0.00 C ATOM 1097 O ILE A 70 -22.788 20.351 20.148 1.00 0.00 O ATOM 1098 CB ILE A 70 -20.925 19.149 22.245 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.373 18.455 23.509 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -19.769 20.050 21.781 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.273 17.372 24.071 1.00 0.00 C ATOM 0 H ILE A 70 -23.529 18.404 21.878 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.085 20.563 23.335 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.227 18.400 21.513 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.402 18.019 23.275 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.206 19.208 24.279 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -18.868 19.450 21.654 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.030 20.517 20.832 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -19.588 20.823 22.528 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -20.810 16.937 24.957 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.237 17.804 24.340 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.420 16.595 23.320 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.353 22.162 21.396 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.428 23.117 20.308 1.00 0.00 C ATOM 1115 C LYS A 71 -21.107 23.210 19.569 1.00 0.00 C ATOM 1116 O LYS A 71 -20.077 23.496 20.177 1.00 0.00 O ATOM 1117 CB LYS A 71 -22.875 24.495 20.825 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.371 24.661 21.098 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.254 23.871 20.119 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.556 24.554 19.739 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.547 24.514 20.829 1.00 0.00 N ATOM 0 H LYS A 71 -22.163 22.591 22.302 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.176 22.764 19.599 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.333 24.708 21.746 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -22.574 25.248 20.097 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.587 24.336 22.116 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.630 25.718 21.039 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -24.683 23.679 19.211 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.485 22.902 20.561 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.355 25.591 19.472 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -26.972 24.072 18.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.419 24.992 20.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -27.760 23.525 21.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.162 24.997 21.666 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.170 22.989 18.247 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.041 23.087 17.331 1.00 0.00 C ATOM 1137 C VAL A 72 -20.459 23.470 15.914 1.00 0.00 C ATOM 1138 O VAL A 72 -21.616 23.299 15.547 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.265 21.776 17.286 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -18.771 21.296 18.622 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.121 20.665 16.701 1.00 0.00 C ATOM 0 H VAL A 72 -22.038 22.730 17.779 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.406 23.883 17.719 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.398 21.998 16.664 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.231 20.358 18.495 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.105 22.043 19.053 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.619 21.138 19.288 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.548 19.738 16.678 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.009 20.527 17.317 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.420 20.932 15.687 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.511 23.930 15.090 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.791 24.424 13.741 1.00 0.00 C ATOM 1153 C LYS A 73 -18.759 23.860 12.797 1.00 0.00 C ATOM 1154 O LYS A 73 -17.565 23.977 13.061 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.759 25.956 13.647 1.00 0.00 C ATOM 1156 CG LYS A 73 -19.984 26.620 14.999 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.227 28.108 14.925 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.155 28.913 14.169 1.00 0.00 C ATOM 1159 NZ LYS A 73 -17.793 28.714 14.708 1.00 0.00 N ATOM 0 H LYS A 73 -18.524 23.969 15.343 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.798 24.102 13.477 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.797 26.274 13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -20.525 26.291 12.947 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.837 26.148 15.486 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.115 26.436 15.631 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.191 28.279 14.446 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.302 28.498 15.940 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.169 28.627 13.117 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.406 29.973 14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.327 29.637 14.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.851 28.239 15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.242 28.127 14.050 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.235 23.262 11.708 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.377 22.636 10.731 1.00 0.00 C ATOM 1175 C ALA A 74 -17.468 23.663 10.079 1.00 0.00 C ATOM 1176 O ALA A 74 -17.960 24.672 9.573 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.244 21.940 9.702 1.00 0.00 C ATOM 0 H ALA A 74 -20.229 23.203 11.487 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.736 21.902 11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.610 21.461 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.858 21.186 10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.889 22.671 9.215 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.160 23.387 10.088 1.00 0.00 N ATOM 1184 CA GLN A 75 -15.157 24.286 9.523 1.00 0.00 C ATOM 1185 C GLN A 75 -14.419 23.636 8.345 1.00 0.00 C ATOM 1186 O GLN A 75 -13.861 24.368 7.530 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.227 24.821 10.631 1.00 0.00 C ATOM 1188 CG GLN A 75 -14.401 26.324 10.958 1.00 0.00 C ATOM 1189 CD GLN A 75 -15.824 26.800 11.285 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -16.255 26.821 12.435 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -16.558 27.266 10.277 1.00 0.00 N ATOM 0 H GLN A 75 -15.770 22.533 10.488 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.657 25.157 9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.399 24.244 11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.193 24.646 10.333 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.759 26.564 11.806 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.036 26.901 10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.191 27.244 9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.488 27.645 10.456 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.504 22.304 8.185 1.00 0.00 N ATOM 1201 CA ASP A 76 -14.217 21.590 6.957 1.00 0.00 C ATOM 1202 C ASP A 76 -14.864 20.214 7.079 1.00 0.00 C ATOM 1203 O ASP A 76 -14.654 19.471 8.038 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.715 21.461 6.655 1.00 0.00 C ATOM 1205 CG ASP A 76 -12.505 20.785 5.299 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -12.934 21.390 4.291 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -11.942 19.667 5.288 1.00 0.00 O ATOM 0 H ASP A 76 -14.786 21.684 8.944 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.624 22.156 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.251 22.447 6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.228 20.880 7.438 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.680 19.893 6.082 1.00 0.00 N ATOM 1213 CA VAL A 77 -16.122 18.548 5.773 1.00 0.00 C ATOM 1214 C VAL A 77 -15.234 18.046 4.627 1.00 0.00 C ATOM 1215 O VAL A 77 -14.864 18.791 3.719 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.625 18.547 5.427 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.507 18.982 6.611 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.930 19.476 4.257 1.00 0.00 C ATOM 0 H VAL A 77 -16.063 20.592 5.446 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.020 17.874 6.624 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.858 17.515 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.555 18.963 6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.357 18.299 7.447 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -18.235 19.993 6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.998 19.450 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.636 20.494 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.374 19.149 3.378 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.923 16.756 4.668 1.00 0.00 N ATOM 1229 CA GLN A 78 -14.016 16.064 3.762 1.00 0.00 C ATOM 1230 C GLN A 78 -14.877 15.075 2.988 1.00 0.00 C ATOM 1231 O GLN A 78 -15.326 14.071 3.539 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.852 15.388 4.521 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.939 16.396 5.244 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.894 15.739 6.154 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.854 16.008 7.352 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -10.032 14.872 5.623 1.00 0.00 N ATOM 0 H GLN A 78 -15.318 16.132 5.372 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.524 16.756 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.259 14.687 5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.256 14.806 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.427 17.007 4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.556 17.069 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.074 14.656 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.330 14.425 6.213 1.00 0.00 H new ATOM 1245 N ARG A 79 -15.174 15.408 1.728 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.960 14.574 0.825 1.00 0.00 C ATOM 1247 C ARG A 79 -15.121 13.399 0.320 1.00 0.00 C ATOM 1248 O ARG A 79 -13.895 13.400 0.426 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.456 15.419 -0.365 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.549 16.429 0.012 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.888 15.742 0.316 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.931 16.724 0.635 1.00 0.00 N ATOM 1253 CZ ARG A 79 -20.719 17.388 -0.225 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -20.639 17.184 -1.545 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -21.594 18.273 0.260 1.00 0.00 N ATOM 0 H ARG A 79 -14.867 16.283 1.303 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.819 14.179 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.611 15.955 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.839 14.753 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.229 17.001 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.683 17.139 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.197 15.146 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.765 15.054 1.153 1.00 0.00 H new ATOM 0 HE ARG A 79 -20.074 16.925 1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.968 16.512 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -21.249 17.701 -2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.653 18.433 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -22.203 18.789 -0.375 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.801 12.419 -0.282 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.179 11.395 -1.106 1.00 0.00 C ATOM 1271 C HIS A 80 -14.586 12.013 -2.387 1.00 0.00 C ATOM 1272 O HIS A 80 -14.965 13.121 -2.771 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.219 10.313 -1.429 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.964 9.001 -0.729 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -15.988 8.774 0.631 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -15.725 7.801 -1.343 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -15.759 7.463 0.822 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -15.596 6.829 -0.351 1.00 0.00 N ATOM 0 H HIS A 80 -16.813 12.319 -0.206 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.354 10.936 -0.562 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.208 10.677 -1.151 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.233 10.144 -2.506 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -16.150 9.472 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.650 7.636 -2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.712 6.984 1.789 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.674 11.299 -3.075 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.903 11.839 -4.189 1.00 0.00 C ATOM 1288 C PRO A 81 -13.658 11.775 -5.526 1.00 0.00 C ATOM 1289 O PRO A 81 -13.364 12.561 -6.425 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.643 10.970 -4.224 1.00 0.00 C ATOM 1291 CG PRO A 81 -12.146 9.598 -3.771 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.274 9.929 -2.793 1.00 0.00 C ATOM 0 HA PRO A 81 -12.690 12.899 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.210 10.929 -5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.871 11.355 -3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.507 9.006 -4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.356 9.021 -3.290 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.113 9.245 -2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.936 9.828 -1.762 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.617 10.846 -5.662 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.406 10.636 -6.874 1.00 0.00 C ATOM 1302 C TYR A 82 -16.835 10.156 -6.561 1.00 0.00 C ATOM 1303 O TYR A 82 -17.564 9.749 -7.464 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.655 9.666 -7.805 1.00 0.00 C ATOM 1305 CG TYR A 82 -15.031 9.806 -9.270 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -14.585 10.929 -9.995 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -15.825 8.832 -9.907 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -14.934 11.084 -11.349 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -16.179 8.980 -11.260 1.00 0.00 C ATOM 1310 CZ TYR A 82 -15.734 10.109 -11.987 1.00 0.00 C ATOM 1311 OH TYR A 82 -16.075 10.265 -13.299 1.00 0.00 O ATOM 0 H TYR A 82 -14.868 10.206 -4.909 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.525 11.591 -7.386 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.583 9.831 -7.698 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.854 8.643 -7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.973 11.674 -9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -16.163 7.968 -9.354 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.591 11.947 -11.900 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.790 8.232 -11.744 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.626 9.507 -13.586 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.241 10.194 -5.284 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.584 9.875 -4.813 1.00 0.00 C ATOM 1323 C LYS A 83 -19.120 11.078 -4.024 1.00 0.00 C ATOM 1324 O LYS A 83 -18.326 11.850 -3.484 1.00 0.00 O ATOM 1325 CB LYS A 83 -18.561 8.626 -3.909 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.616 7.271 -4.622 1.00 0.00 C ATOM 1327 CD LYS A 83 -17.307 6.856 -5.303 1.00 0.00 C ATOM 1328 CE LYS A 83 -17.405 5.373 -5.661 1.00 0.00 C ATOM 1329 NZ LYS A 83 -16.191 4.890 -6.347 1.00 0.00 N ATOM 0 H LYS A 83 -16.613 10.459 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.228 9.664 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.655 8.658 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.405 8.685 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.892 6.505 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.407 7.301 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.139 7.453 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.461 7.032 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.565 4.791 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.272 5.211 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.298 3.880 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.052 5.428 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.367 5.021 -5.727 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.452 11.200 -3.860 1.00 0.00 N ATOM 1344 CA PRO A 84 -21.075 12.206 -3.002 1.00 0.00 C ATOM 1345 C PRO A 84 -20.942 11.878 -1.501 1.00 0.00 C ATOM 1346 O PRO A 84 -21.589 12.530 -0.684 1.00 0.00 O ATOM 1347 CB PRO A 84 -22.541 12.236 -3.455 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.803 10.787 -3.859 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.475 10.370 -4.488 1.00 0.00 C ATOM 0 HA PRO A 84 -20.588 13.176 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -23.205 12.558 -2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -22.692 12.922 -4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -23.057 10.166 -3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.629 10.706 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.278 9.312 -4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.491 10.521 -5.567 1.00 0.00 H new ATOM 1357 N LYS A 85 -20.147 10.862 -1.128 1.00 0.00 N ATOM 1358 CA LYS A 85 -20.001 10.388 0.244 1.00 0.00 C ATOM 1359 C LYS A 85 -19.075 11.338 1.030 1.00 0.00 C ATOM 1360 O LYS A 85 -18.607 12.349 0.504 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.479 8.934 0.208 1.00 0.00 C ATOM 1362 CG LYS A 85 -20.399 7.917 -0.496 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.610 7.529 0.351 1.00 0.00 C ATOM 1364 CE LYS A 85 -22.514 6.514 -0.351 1.00 0.00 C ATOM 1365 NZ LYS A 85 -23.651 6.134 0.513 1.00 0.00 N ATOM 0 H LYS A 85 -19.577 10.340 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.959 10.388 0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.510 8.926 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.314 8.600 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.742 8.338 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.827 7.021 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.268 7.112 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -22.187 8.423 0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -22.887 6.937 -1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -21.937 5.626 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.250 5.445 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.292 5.710 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.212 6.980 0.740 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.807 11.008 2.298 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.880 11.716 3.180 1.00 0.00 C ATOM 1381 C LEU A 86 -16.751 10.756 3.561 1.00 0.00 C ATOM 1382 O LEU A 86 -16.872 9.538 3.418 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.611 12.239 4.434 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.679 13.326 4.166 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.786 13.295 5.234 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -19.085 14.738 4.119 1.00 0.00 C ATOM 0 H LEU A 86 -19.248 10.209 2.753 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.465 12.583 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -19.090 11.397 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.871 12.642 5.125 1.00 0.00 H new ATOM 0 HG LEU A 86 -20.098 13.094 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.521 14.070 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.273 12.320 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.349 13.473 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.879 15.460 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.610 14.965 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.344 14.794 3.322 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.654 11.330 4.053 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.477 10.657 4.574 1.00 0.00 C ATOM 1400 C GLN A 87 -14.190 11.089 6.011 1.00 0.00 C ATOM 1401 O GLN A 87 -13.641 10.285 6.761 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.269 10.972 3.680 1.00 0.00 C ATOM 1403 CG GLN A 87 -13.420 10.313 2.304 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.111 10.259 1.515 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -12.004 10.818 0.429 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.110 9.557 2.039 1.00 0.00 N ATOM 0 H GLN A 87 -15.563 12.345 4.099 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.662 9.583 4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.170 12.051 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.355 10.619 4.158 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.801 9.300 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.163 10.861 1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.226 9.102 2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.227 9.474 1.535 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.575 12.319 6.394 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.362 12.902 7.717 1.00 0.00 C ATOM 1417 C HIS A 88 -14.978 14.290 7.759 1.00 0.00 C ATOM 1418 O HIS A 88 -15.281 14.873 6.719 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.869 12.976 8.052 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.585 13.562 9.403 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.888 14.715 9.658 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.951 13.017 10.601 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.806 14.829 10.992 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.455 13.835 11.610 1.00 0.00 N ATOM 0 H HIS A 88 -15.061 12.954 5.761 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.840 12.266 8.462 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.444 11.973 8.004 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.364 13.573 7.293 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.506 15.361 8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.524 12.112 10.740 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.282 15.623 11.503 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.195 14.796 8.974 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.742 16.109 9.244 1.00 0.00 C ATOM 1434 C ILE A 89 -15.102 16.608 10.537 1.00 0.00 C ATOM 1435 O ILE A 89 -14.869 15.836 11.465 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.283 16.021 9.351 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.888 15.459 8.047 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.868 17.405 9.660 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.384 15.254 8.096 1.00 0.00 C ATOM 0 H ILE A 89 -14.983 14.275 9.825 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.523 16.811 8.440 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.537 15.342 10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.652 16.139 7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.409 14.507 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.953 17.333 9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.464 17.768 10.605 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.604 18.098 8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.728 14.857 7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.629 14.550 8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.876 16.207 8.291 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.885 17.918 10.611 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.530 18.611 11.840 1.00 0.00 C ATOM 1453 C ASP A 90 -15.633 19.613 12.177 1.00 0.00 C ATOM 1454 O ASP A 90 -16.325 20.112 11.285 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.168 19.305 11.724 1.00 0.00 C ATOM 1456 CG ASP A 90 -13.104 20.501 10.767 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.804 21.509 11.016 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -12.262 20.425 9.847 1.00 0.00 O ATOM 0 H ASP A 90 -14.953 18.536 9.803 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.441 17.883 12.646 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.868 19.642 12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.433 18.568 11.402 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.743 19.956 13.462 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.496 21.076 13.976 1.00 0.00 C ATOM 1465 C PHE A 91 -15.581 21.836 14.943 1.00 0.00 C ATOM 1466 O PHE A 91 -14.688 21.228 15.526 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.745 20.527 14.674 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.401 19.269 14.115 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.400 19.350 13.126 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.069 18.012 14.649 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.061 18.183 12.695 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -18.716 16.852 14.205 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.712 16.932 13.235 1.00 0.00 C ATOM 0 H PHE A 91 -15.281 19.426 14.201 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.821 21.760 13.193 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.483 20.330 15.714 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.496 21.317 14.679 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.660 20.307 12.698 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.306 17.940 15.410 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -20.838 18.249 11.948 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.442 15.892 14.616 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.214 16.037 12.899 1.00 0.00 H new ATOM 1483 N VAL A 92 -15.799 23.138 15.156 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.067 23.911 16.169 1.00 0.00 C ATOM 1485 C VAL A 92 -15.965 24.095 17.382 1.00 0.00 C ATOM 1486 O VAL A 92 -17.178 24.047 17.214 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.590 25.271 15.620 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -14.054 25.142 14.204 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.650 26.378 15.561 1.00 0.00 C ATOM 0 H VAL A 92 -16.484 23.685 14.635 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.170 23.362 16.454 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.827 25.559 16.343 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.727 26.119 13.848 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.211 24.452 14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.840 24.763 13.551 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.204 27.288 15.160 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.471 26.062 14.917 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.030 26.572 16.564 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.409 24.376 18.569 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.223 24.707 19.737 1.00 0.00 C ATOM 1501 C ARG A 93 -17.020 25.987 19.471 1.00 0.00 C ATOM 1502 O ARG A 93 -16.483 27.093 19.553 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.366 24.937 20.997 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.628 23.724 21.556 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.567 22.580 21.952 1.00 0.00 C ATOM 1506 NE ARG A 93 -14.942 21.644 22.888 1.00 0.00 N ATOM 1507 CZ ARG A 93 -13.784 20.973 22.770 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -13.067 20.959 21.644 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.311 20.328 23.837 1.00 0.00 N ATOM 0 H ARG A 93 -14.404 24.380 18.741 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.885 23.859 19.911 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.630 25.709 20.771 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.012 25.332 21.780 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -13.919 23.363 20.811 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.048 24.029 22.427 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -16.469 22.993 22.404 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -15.877 22.041 21.056 1.00 0.00 H new ATOM 0 HE ARG A 93 -15.459 21.478 23.752 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.393 21.473 20.825 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.193 20.435 21.602 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.826 20.351 24.717 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.434 19.811 23.773 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.301 25.818 19.143 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.268 26.910 19.139 1.00 0.00 C ATOM 1525 C ALA A 94 -19.578 27.388 20.559 1.00 0.00 C ATOM 1526 O ALA A 94 -19.818 26.521 21.428 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.528 26.449 18.441 1.00 0.00 C ATOM 1528 OXT ALA A 94 -19.606 28.625 20.738 1.00 0.00 O ATOM 0 H ALA A 94 -18.696 24.917 18.872 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.842 27.758 18.602 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.257 27.259 18.433 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.292 26.163 17.416 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -20.944 25.592 18.970 1.00 0.00 H new