USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 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= 0.546 K(o=-1,f=-3.6) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -1.55 K(o=-1,f=-5.8!) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0.00278 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 163:sc= 0.00187 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl -179:sc= -1.85 (180deg=-1.85) USER MOD Set 3.2: A 51 GLN :FLIP amide:sc= -1.44 F(o=-5.8,f=-3.3) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -140:sc= 0.446 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= -1.71 K(o=-1.3,f=-9.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.731 F(o=-2,f=-0.73) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.429 USER MOD Single : A 24 ASN : amide:sc= -0.0665 X(o=-0.067,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= 1.14 (180deg=0.71) USER MOD Single : A 31 TYR OH : rot -144:sc= 0.084 USER MOD Single : A 44 HIS : no HE2:sc= 0.0626 K(o=0.063,f=-6.6!) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0147) USER MOD Single : A 49 ASN : amide:sc=-0.00266 X(o=-0.0027,f=-0.0017) USER MOD Single : A 50 MET CE :methyl -151:sc= -1.31 (180deg=-4.23!) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 1.15 (180deg=0.892) 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+ -178:sc= 1.23 (180deg=1.18) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 0.00689 (180deg=-0.0158) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 80 HIS : no HD1:sc= -1.02 K(o=-1,f=-2) 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 X(o=0,f=0.039) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.937 20.601 13.181 1.00 0.00 N ATOM 21 CA PHE A 2 -30.152 19.537 12.557 1.00 0.00 C ATOM 22 C PHE A 2 -29.878 18.424 13.580 1.00 0.00 C ATOM 23 O PHE A 2 -30.548 17.397 13.549 1.00 0.00 O ATOM 24 CB PHE A 2 -28.865 20.115 11.933 1.00 0.00 C ATOM 25 CG PHE A 2 -29.072 21.402 11.155 1.00 0.00 C ATOM 26 CD1 PHE A 2 -29.602 21.376 9.851 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.769 22.636 11.763 1.00 0.00 C ATOM 28 CE1 PHE A 2 -29.839 22.583 9.166 1.00 0.00 C ATOM 29 CE2 PHE A 2 -29.000 23.838 11.075 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.542 23.812 9.781 1.00 0.00 C ATOM 0 HA PHE A 2 -30.717 19.088 11.740 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.140 20.296 12.727 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -28.430 19.368 11.269 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -29.826 20.432 9.377 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -28.358 22.658 12.761 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.249 22.565 8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -28.761 24.782 11.542 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.731 24.737 9.257 1.00 0.00 H new ATOM 40 N THR A 3 -28.938 18.671 14.505 1.00 0.00 N ATOM 41 CA THR A 3 -28.578 17.848 15.659 1.00 0.00 C ATOM 42 C THR A 3 -27.999 16.469 15.283 1.00 0.00 C ATOM 43 O THR A 3 -28.721 15.571 14.847 1.00 0.00 O ATOM 44 CB THR A 3 -29.775 17.712 16.606 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.406 18.961 16.836 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.378 17.122 17.965 1.00 0.00 C ATOM 0 H THR A 3 -28.369 19.517 14.458 1.00 0.00 H new ATOM 0 HA THR A 3 -27.770 18.369 16.173 1.00 0.00 H new ATOM 0 HB THR A 3 -30.466 17.033 16.106 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.166 18.837 17.443 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.260 17.046 18.600 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.948 16.131 17.820 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.643 17.770 18.442 1.00 0.00 H new ATOM 54 N ILE A 4 -26.685 16.284 15.482 1.00 0.00 N ATOM 55 CA ILE A 4 -25.940 15.137 14.967 1.00 0.00 C ATOM 56 C ILE A 4 -25.543 14.237 16.125 1.00 0.00 C ATOM 57 O ILE A 4 -24.461 14.355 16.691 1.00 0.00 O ATOM 58 CB ILE A 4 -24.773 15.505 14.021 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.585 16.996 13.730 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.862 14.672 12.738 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.721 17.647 12.918 1.00 0.00 C ATOM 0 H ILE A 4 -26.108 16.937 16.012 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.602 14.574 14.309 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.865 15.252 14.568 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.485 17.526 14.677 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.648 17.130 13.189 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.038 14.935 12.075 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.803 13.613 12.987 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.809 14.875 12.237 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.498 18.703 12.762 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.810 17.149 11.953 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.660 17.551 13.464 1.00 0.00 H new ATOM 73 N ASN A 5 -26.467 13.354 16.505 1.00 0.00 N ATOM 74 CA ASN A 5 -26.297 12.476 17.641 1.00 0.00 C ATOM 75 C ASN A 5 -25.069 11.597 17.387 1.00 0.00 C ATOM 76 O ASN A 5 -25.034 10.832 16.421 1.00 0.00 O ATOM 77 CB ASN A 5 -27.572 11.676 17.928 1.00 0.00 C ATOM 78 CG ASN A 5 -28.719 12.501 18.521 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.073 13.640 17.923 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.290 12.119 19.535 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.358 13.235 16.023 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.122 13.056 18.547 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.914 11.216 17.001 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.330 10.866 18.616 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.008 11.246 19.981 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.047 12.674 19.934 1.00 0.00 H new ATOM 87 N ALA A 6 -24.050 11.795 18.228 1.00 0.00 N ATOM 88 CA ALA A 6 -22.712 11.236 18.121 1.00 0.00 C ATOM 89 C ALA A 6 -22.343 10.569 19.450 1.00 0.00 C ATOM 90 O ALA A 6 -23.222 10.303 20.274 1.00 0.00 O ATOM 91 CB ALA A 6 -21.714 12.332 17.716 1.00 0.00 C ATOM 0 H ALA A 6 -24.151 12.388 19.052 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.678 10.474 17.342 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.715 11.904 17.638 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -22.005 12.751 16.753 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.713 13.120 18.469 1.00 0.00 H new ATOM 97 N GLU A 7 -21.056 10.249 19.639 1.00 0.00 N ATOM 98 CA GLU A 7 -20.566 9.426 20.739 1.00 0.00 C ATOM 99 C GLU A 7 -19.131 9.789 21.057 1.00 0.00 C ATOM 100 O GLU A 7 -18.237 9.446 20.294 1.00 0.00 O ATOM 101 CB GLU A 7 -20.566 7.944 20.325 1.00 0.00 C ATOM 102 CG GLU A 7 -21.985 7.449 20.319 1.00 0.00 C ATOM 103 CD GLU A 7 -22.135 5.969 19.964 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.786 5.133 20.827 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.619 5.695 18.841 1.00 0.00 O ATOM 0 H GLU A 7 -20.314 10.565 19.014 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.214 9.594 21.600 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.120 7.827 19.337 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -19.963 7.357 21.018 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -22.421 7.620 21.303 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.561 8.041 19.608 1.00 0.00 H new ATOM 112 N VAL A 8 -18.884 10.446 22.184 1.00 0.00 N ATOM 113 CA VAL A 8 -17.530 10.773 22.613 1.00 0.00 C ATOM 114 C VAL A 8 -16.629 9.538 22.551 1.00 0.00 C ATOM 115 O VAL A 8 -16.909 8.516 23.179 1.00 0.00 O ATOM 116 CB VAL A 8 -17.565 11.416 24.009 1.00 0.00 C ATOM 117 CG1 VAL A 8 -18.486 12.634 24.004 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.102 10.467 25.088 1.00 0.00 C ATOM 0 H VAL A 8 -19.612 10.765 22.823 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.098 11.504 21.930 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.533 11.681 24.240 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.503 13.081 24.998 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.119 13.365 23.283 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.494 12.326 23.727 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.103 10.976 26.052 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.119 10.166 24.835 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.466 9.584 25.145 1.00 0.00 H new ATOM 128 N ARG A 9 -15.585 9.623 21.722 1.00 0.00 N ATOM 129 CA ARG A 9 -14.706 8.471 21.483 1.00 0.00 C ATOM 130 C ARG A 9 -13.250 8.849 21.630 1.00 0.00 C ATOM 131 O ARG A 9 -12.876 9.945 21.228 1.00 0.00 O ATOM 132 CB ARG A 9 -14.961 7.833 20.118 1.00 0.00 C ATOM 133 CG ARG A 9 -15.021 8.847 18.976 1.00 0.00 C ATOM 134 CD ARG A 9 -14.361 8.362 17.686 1.00 0.00 C ATOM 135 NE ARG A 9 -13.967 9.536 16.913 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.881 9.641 16.132 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.163 8.556 15.829 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.506 10.840 15.678 1.00 0.00 N ATOM 0 H ARG A 9 -15.328 10.467 21.209 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.944 7.729 22.245 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.173 7.109 19.910 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.900 7.280 20.153 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.064 9.088 18.771 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.537 9.770 19.296 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.491 7.745 17.911 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.052 7.743 17.114 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.574 10.353 16.972 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.440 7.644 16.192 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.338 8.640 15.235 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.044 11.670 15.925 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.681 10.925 15.084 1.00 0.00 H new ATOM 152 N LYS A 10 -12.423 7.927 22.139 1.00 0.00 N ATOM 153 CA LYS A 10 -10.985 8.144 22.288 1.00 0.00 C ATOM 154 C LYS A 10 -10.118 7.051 21.639 1.00 0.00 C ATOM 155 O LYS A 10 -8.905 7.210 21.539 1.00 0.00 O ATOM 156 CB LYS A 10 -10.626 8.411 23.760 1.00 0.00 C ATOM 157 CG LYS A 10 -11.198 9.723 24.347 1.00 0.00 C ATOM 158 CD LYS A 10 -10.463 11.011 23.922 1.00 0.00 C ATOM 159 CE LYS A 10 -10.941 11.652 22.608 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.989 12.675 22.131 1.00 0.00 N ATOM 0 H LYS A 10 -12.736 7.010 22.458 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.740 9.042 21.721 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.983 7.576 24.362 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.540 8.431 23.855 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.244 9.807 24.053 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.177 9.654 25.435 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.565 11.746 24.721 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.400 10.787 23.829 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.060 10.881 21.847 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.921 12.106 22.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.515 13.489 21.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.390 12.987 22.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.391 12.271 21.382 1.00 0.00 H new ATOM 174 N GLU A 11 -10.741 5.994 21.115 1.00 0.00 N ATOM 175 CA GLU A 11 -10.172 4.885 20.339 1.00 0.00 C ATOM 176 C GLU A 11 -9.634 5.267 18.937 1.00 0.00 C ATOM 177 O GLU A 11 -9.373 4.383 18.122 1.00 0.00 O ATOM 178 CB GLU A 11 -11.197 3.715 20.276 1.00 0.00 C ATOM 179 CG GLU A 11 -12.691 4.078 20.436 1.00 0.00 C ATOM 180 CD GLU A 11 -13.152 4.070 21.897 1.00 0.00 C ATOM 181 OE1 GLU A 11 -13.503 2.973 22.393 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.153 5.179 22.484 1.00 0.00 O ATOM 0 H GLU A 11 -11.748 5.880 21.232 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.277 4.565 20.873 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.073 3.208 19.319 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.938 2.996 21.054 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.868 5.065 20.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.295 3.372 19.866 1.00 0.00 H new ATOM 189 N GLN A 12 -9.462 6.561 18.634 1.00 0.00 N ATOM 190 CA GLN A 12 -9.114 7.089 17.303 1.00 0.00 C ATOM 191 C GLN A 12 -7.932 6.404 16.617 1.00 0.00 C ATOM 192 O GLN A 12 -7.966 6.265 15.398 1.00 0.00 O ATOM 193 CB GLN A 12 -8.820 8.597 17.312 1.00 0.00 C ATOM 194 CG GLN A 12 -8.332 9.226 18.613 1.00 0.00 C ATOM 195 CD GLN A 12 -9.463 9.748 19.509 1.00 0.00 C ATOM 196 OE1 GLN A 12 -9.210 10.467 20.466 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.727 9.409 19.235 1.00 0.00 N ATOM 0 H GLN A 12 -9.565 7.297 19.333 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.017 6.872 16.732 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.072 8.795 16.545 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.730 9.116 17.012 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.752 8.488 19.168 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.658 10.049 18.377 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.932 8.809 18.436 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.486 9.750 19.825 1.00 0.00 H new ATOM 206 N GLY A 13 -6.933 5.979 17.401 1.00 0.00 N ATOM 207 CA GLY A 13 -5.661 5.384 16.973 1.00 0.00 C ATOM 208 C GLY A 13 -5.747 4.228 15.955 1.00 0.00 C ATOM 209 O GLY A 13 -4.721 3.854 15.395 1.00 0.00 O ATOM 0 H GLY A 13 -6.996 6.046 18.417 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.044 6.172 16.542 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.140 5.020 17.859 1.00 0.00 H new ATOM 213 N LYS A 14 -6.966 3.714 15.718 1.00 0.00 N ATOM 214 CA LYS A 14 -7.531 2.930 14.610 1.00 0.00 C ATOM 215 C LYS A 14 -8.624 1.993 15.110 1.00 0.00 C ATOM 216 O LYS A 14 -9.470 1.614 14.303 1.00 0.00 O ATOM 217 CB LYS A 14 -6.511 2.182 13.726 1.00 0.00 C ATOM 218 CG LYS A 14 -6.008 3.053 12.566 1.00 0.00 C ATOM 219 CD LYS A 14 -6.841 2.875 11.284 1.00 0.00 C ATOM 220 CE LYS A 14 -6.376 1.663 10.461 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.271 2.001 9.540 1.00 0.00 N ATOM 0 H LYS A 14 -7.693 3.867 16.417 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.962 3.675 13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.665 1.867 14.336 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.971 1.278 13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.031 4.100 12.867 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.968 2.805 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.892 2.753 11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.768 3.776 10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.054 0.870 11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.217 1.272 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.992 1.153 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.585 2.739 8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.458 2.350 10.087 1.00 0.00 H new ATOM 235 N GLY A 15 -8.669 1.687 16.417 1.00 0.00 N ATOM 236 CA GLY A 15 -9.731 0.895 17.032 1.00 0.00 C ATOM 237 C GLY A 15 -11.130 1.477 16.783 1.00 0.00 C ATOM 238 O GLY A 15 -12.086 0.718 16.611 1.00 0.00 O ATOM 0 H GLY A 15 -7.956 1.990 17.080 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.691 -0.122 16.642 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.555 0.832 18.106 1.00 0.00 H new ATOM 242 N ALA A 16 -11.249 2.811 16.730 1.00 0.00 N ATOM 243 CA ALA A 16 -12.472 3.513 16.374 1.00 0.00 C ATOM 244 C ALA A 16 -12.649 3.562 14.860 1.00 0.00 C ATOM 245 O ALA A 16 -13.723 3.273 14.346 1.00 0.00 O ATOM 246 CB ALA A 16 -12.477 4.938 16.909 1.00 0.00 C ATOM 0 H ALA A 16 -10.474 3.440 16.940 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.295 2.959 16.826 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.406 5.431 16.623 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.396 4.919 17.996 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.632 5.486 16.492 1.00 0.00 H new ATOM 252 N SER A 17 -11.601 3.939 14.128 1.00 0.00 N ATOM 253 CA SER A 17 -11.721 4.203 12.695 1.00 0.00 C ATOM 254 C SER A 17 -12.266 2.970 11.941 1.00 0.00 C ATOM 255 O SER A 17 -13.024 3.108 10.977 1.00 0.00 O ATOM 256 CB SER A 17 -10.362 4.686 12.174 1.00 0.00 C ATOM 257 OG SER A 17 -10.501 5.287 10.906 1.00 0.00 O ATOM 0 H SER A 17 -10.661 4.068 14.503 1.00 0.00 H new ATOM 0 HA SER A 17 -12.452 4.991 12.514 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.931 5.400 12.875 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.671 3.845 12.110 1.00 0.00 H new ATOM 0 HG SER A 17 -9.624 5.590 10.590 1.00 0.00 H new ATOM 263 N ARG A 18 -11.964 1.766 12.451 1.00 0.00 N ATOM 264 CA ARG A 18 -12.419 0.482 11.962 1.00 0.00 C ATOM 265 C ARG A 18 -13.803 0.148 12.507 1.00 0.00 C ATOM 266 O ARG A 18 -14.616 -0.265 11.699 1.00 0.00 O ATOM 267 CB ARG A 18 -11.373 -0.621 12.231 1.00 0.00 C ATOM 268 CG ARG A 18 -11.109 -0.959 13.710 1.00 0.00 C ATOM 269 CD ARG A 18 -11.991 -2.067 14.292 1.00 0.00 C ATOM 270 NE ARG A 18 -11.569 -3.410 13.866 1.00 0.00 N ATOM 271 CZ ARG A 18 -11.182 -4.402 14.684 1.00 0.00 C ATOM 272 NH1 ARG A 18 -10.928 -4.192 15.980 1.00 0.00 N ATOM 273 NH2 ARG A 18 -11.067 -5.642 14.212 1.00 0.00 N ATOM 0 H ARG A 18 -11.358 1.672 13.266 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.524 0.540 10.879 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.695 -1.530 11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.430 -0.318 11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.065 -1.253 13.818 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.249 -0.055 14.303 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.967 -2.011 15.380 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.024 -1.901 13.987 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.570 -3.604 12.865 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.027 -3.256 16.374 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.636 -4.968 16.575 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.273 -5.836 13.232 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.773 -6.398 14.831 1.00 0.00 H new ATOM 287 N ARG A 19 -14.114 0.316 13.808 1.00 0.00 N ATOM 288 CA ARG A 19 -15.429 -0.091 14.343 1.00 0.00 C ATOM 289 C ARG A 19 -16.550 0.739 13.706 1.00 0.00 C ATOM 290 O ARG A 19 -17.605 0.208 13.359 1.00 0.00 O ATOM 291 CB ARG A 19 -15.483 -0.027 15.884 1.00 0.00 C ATOM 292 CG ARG A 19 -15.549 1.419 16.394 1.00 0.00 C ATOM 293 CD ARG A 19 -15.438 1.649 17.887 1.00 0.00 C ATOM 294 NE ARG A 19 -14.341 0.890 18.505 1.00 0.00 N ATOM 295 CZ ARG A 19 -14.108 0.832 19.822 1.00 0.00 C ATOM 296 NH1 ARG A 19 -14.969 1.380 20.683 1.00 0.00 N ATOM 297 NH2 ARG A 19 -12.987 0.263 20.276 1.00 0.00 N ATOM 0 H ARG A 19 -13.484 0.724 14.498 1.00 0.00 H new ATOM 0 HA ARG A 19 -15.580 -1.136 14.074 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.354 -0.578 16.240 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -14.603 -0.519 16.299 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.752 1.982 15.909 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.493 1.849 16.058 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.288 2.712 18.075 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.378 1.371 18.363 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.715 0.372 17.888 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -15.809 1.845 20.338 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.787 1.333 21.686 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.311 -0.126 19.619 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.808 0.218 21.279 1.00 0.00 H new ATOM 311 N LEU A 20 -16.288 2.040 13.528 1.00 0.00 N ATOM 312 CA LEU A 20 -17.191 2.975 12.902 1.00 0.00 C ATOM 313 C LEU A 20 -17.523 2.519 11.492 1.00 0.00 C ATOM 314 O LEU A 20 -18.692 2.217 11.235 1.00 0.00 O ATOM 315 CB LEU A 20 -16.598 4.390 12.930 1.00 0.00 C ATOM 316 CG LEU A 20 -16.904 5.097 14.261 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.770 5.153 15.269 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.233 6.557 14.011 1.00 0.00 C ATOM 0 H LEU A 20 -15.413 2.469 13.829 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.125 3.006 13.463 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.519 4.338 12.783 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.004 4.973 12.104 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.716 4.496 14.669 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.105 5.675 16.165 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.466 4.140 15.531 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.923 5.685 14.835 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.448 7.049 14.960 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.383 7.045 13.534 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.104 6.627 13.360 1.00 0.00 H new ATOM 330 N ARG A 21 -16.519 2.422 10.601 1.00 0.00 N ATOM 331 CA ARG A 21 -16.794 1.927 9.254 1.00 0.00 C ATOM 332 C ARG A 21 -17.267 0.473 9.252 1.00 0.00 C ATOM 333 O ARG A 21 -17.891 0.057 8.277 1.00 0.00 O ATOM 334 CB ARG A 21 -15.599 2.149 8.309 1.00 0.00 C ATOM 335 CG ARG A 21 -14.485 1.095 8.453 1.00 0.00 C ATOM 336 CD ARG A 21 -13.247 1.442 7.622 1.00 0.00 C ATOM 337 NE ARG A 21 -12.546 2.593 8.206 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.019 3.648 7.575 1.00 0.00 C ATOM 339 NH1 ARG A 21 -11.981 3.732 6.241 1.00 0.00 N ATOM 340 NH2 ARG A 21 -11.528 4.642 8.309 1.00 0.00 N ATOM 0 H ARG A 21 -15.547 2.671 10.785 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.623 2.519 8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.957 2.146 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.178 3.137 8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.203 1.008 9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.866 0.122 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.577 0.583 7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.541 1.668 6.597 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.449 2.587 9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.362 2.976 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.571 4.552 5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.559 4.588 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.120 5.459 7.854 1.00 0.00 H new ATOM 354 N ALA A 22 -17.001 -0.282 10.329 1.00 0.00 N ATOM 355 CA ALA A 22 -17.447 -1.675 10.408 1.00 0.00 C ATOM 356 C ALA A 22 -18.948 -1.821 10.692 1.00 0.00 C ATOM 357 O ALA A 22 -19.486 -2.906 10.476 1.00 0.00 O ATOM 358 CB ALA A 22 -16.641 -2.443 11.450 1.00 0.00 C ATOM 0 H ALA A 22 -16.486 0.046 11.146 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.271 -2.102 9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.989 -3.475 11.491 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.586 -2.427 11.178 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -16.771 -1.977 12.427 1.00 0.00 H new ATOM 364 N ALA A 23 -19.628 -0.754 11.134 1.00 0.00 N ATOM 365 CA ALA A 23 -21.076 -0.707 11.229 1.00 0.00 C ATOM 366 C ALA A 23 -21.572 0.046 9.996 1.00 0.00 C ATOM 367 O ALA A 23 -21.837 -0.565 8.963 1.00 0.00 O ATOM 368 CB ALA A 23 -21.482 -0.077 12.570 1.00 0.00 C ATOM 0 H ALA A 23 -19.173 0.107 11.437 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.539 -1.694 11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.569 -0.042 12.641 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.084 -0.676 13.389 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.081 0.935 12.633 1.00 0.00 H new ATOM 374 N ASN A 24 -21.662 1.373 10.114 1.00 0.00 N ATOM 375 CA ASN A 24 -21.931 2.348 9.065 1.00 0.00 C ATOM 376 C ASN A 24 -21.679 3.785 9.556 1.00 0.00 C ATOM 377 O ASN A 24 -22.013 4.748 8.865 1.00 0.00 O ATOM 378 CB ASN A 24 -23.366 2.203 8.534 1.00 0.00 C ATOM 379 CG ASN A 24 -24.435 2.728 9.491 1.00 0.00 C ATOM 380 OD1 ASN A 24 -25.119 3.698 9.187 1.00 0.00 O ATOM 381 ND2 ASN A 24 -24.595 2.090 10.649 1.00 0.00 N ATOM 0 H ASN A 24 -21.538 1.825 11.020 1.00 0.00 H new ATOM 0 HA ASN A 24 -21.240 2.147 8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.448 2.735 7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.562 1.151 8.327 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.303 2.406 11.312 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.010 1.285 10.873 1.00 0.00 H new ATOM 388 N LYS A 25 -21.112 3.935 10.760 1.00 0.00 N ATOM 389 CA LYS A 25 -20.709 5.204 11.331 1.00 0.00 C ATOM 390 C LYS A 25 -19.379 5.617 10.695 1.00 0.00 C ATOM 391 O LYS A 25 -18.792 4.877 9.902 1.00 0.00 O ATOM 392 CB LYS A 25 -20.642 5.062 12.859 1.00 0.00 C ATOM 393 CG LYS A 25 -22.062 4.913 13.427 1.00 0.00 C ATOM 394 CD LYS A 25 -22.116 5.143 14.942 1.00 0.00 C ATOM 395 CE LYS A 25 -23.333 5.978 15.347 1.00 0.00 C ATOM 396 NZ LYS A 25 -24.617 5.340 14.994 1.00 0.00 N ATOM 0 H LYS A 25 -20.920 3.144 11.375 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.428 5.996 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.039 4.194 13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.155 5.935 13.294 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.724 5.623 12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.437 3.915 13.201 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.148 4.182 15.455 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.205 5.647 15.266 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.305 6.153 16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.274 6.953 14.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.365 5.692 15.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.860 5.570 14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.532 4.309 15.098 1.00 0.00 H new ATOM 410 N PHE A 26 -18.895 6.811 11.033 1.00 0.00 N ATOM 411 CA PHE A 26 -17.600 7.310 10.601 1.00 0.00 C ATOM 412 C PHE A 26 -17.225 8.467 11.554 1.00 0.00 C ATOM 413 O PHE A 26 -18.110 9.055 12.190 1.00 0.00 O ATOM 414 CB PHE A 26 -17.637 7.711 9.110 1.00 0.00 C ATOM 415 CG PHE A 26 -18.134 9.113 8.879 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.319 9.536 9.503 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.327 10.034 8.190 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.602 10.895 9.589 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.659 11.395 8.218 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.757 11.824 8.971 1.00 0.00 C ATOM 0 H PHE A 26 -19.404 7.467 11.625 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.826 6.544 10.660 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.635 7.615 8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.277 7.013 8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.006 8.811 9.913 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.459 9.696 7.644 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.472 11.233 10.132 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.070 12.109 7.661 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.954 12.881 9.076 1.00 0.00 H new ATOM 430 N PRO A 27 -15.928 8.752 11.743 1.00 0.00 N ATOM 431 CA PRO A 27 -15.490 9.681 12.779 1.00 0.00 C ATOM 432 C PRO A 27 -15.776 11.151 12.445 1.00 0.00 C ATOM 433 O PRO A 27 -15.941 11.521 11.281 1.00 0.00 O ATOM 434 CB PRO A 27 -13.991 9.413 12.932 1.00 0.00 C ATOM 435 CG PRO A 27 -13.576 8.762 11.613 1.00 0.00 C ATOM 436 CD PRO A 27 -14.812 7.948 11.271 1.00 0.00 C ATOM 0 HA PRO A 27 -16.041 9.518 13.705 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.440 10.337 13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.791 8.756 13.778 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.347 9.501 10.845 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.691 8.135 11.726 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.881 7.766 10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.792 6.974 11.759 1.00 0.00 H new ATOM 444 N ALA A 28 -15.744 11.992 13.488 1.00 0.00 N ATOM 445 CA ALA A 28 -15.564 13.438 13.375 1.00 0.00 C ATOM 446 C ALA A 28 -14.701 13.959 14.530 1.00 0.00 C ATOM 447 O ALA A 28 -14.325 13.200 15.433 1.00 0.00 O ATOM 448 CB ALA A 28 -16.914 14.160 13.312 1.00 0.00 C ATOM 0 H ALA A 28 -15.845 11.675 14.452 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.042 13.649 12.441 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.749 15.234 13.228 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.474 13.810 12.444 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.482 13.950 14.219 1.00 0.00 H new ATOM 454 N ILE A 29 -14.430 15.270 14.507 1.00 0.00 N ATOM 455 CA ILE A 29 -13.776 16.026 15.569 1.00 0.00 C ATOM 456 C ILE A 29 -14.506 17.346 15.788 1.00 0.00 C ATOM 457 O ILE A 29 -15.100 17.915 14.874 1.00 0.00 O ATOM 458 CB ILE A 29 -12.289 16.232 15.224 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.397 16.813 16.335 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.067 17.146 14.012 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.316 15.997 17.616 1.00 0.00 C ATOM 0 H ILE A 29 -14.674 15.855 13.708 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.820 15.469 16.505 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.993 15.201 15.032 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.389 16.933 15.939 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.762 17.809 16.584 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.998 17.248 13.824 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.549 16.712 13.136 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.496 18.128 14.213 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.661 16.500 18.327 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.312 15.897 18.047 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.917 15.008 17.393 1.00 0.00 H new ATOM 473 N ILE A 30 -14.395 17.835 17.019 1.00 0.00 N ATOM 474 CA ILE A 30 -14.982 19.068 17.527 1.00 0.00 C ATOM 475 C ILE A 30 -13.804 19.849 18.098 1.00 0.00 C ATOM 476 O ILE A 30 -13.469 19.667 19.261 1.00 0.00 O ATOM 477 CB ILE A 30 -16.133 18.778 18.546 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.384 18.358 17.750 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.426 19.997 19.438 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.640 17.908 18.521 1.00 0.00 C ATOM 0 H ILE A 30 -13.857 17.347 17.735 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.481 19.657 16.758 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.829 17.974 19.217 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.669 19.198 17.117 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.095 17.543 17.087 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.231 19.755 20.132 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.530 20.261 20.000 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.725 20.840 18.815 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.427 17.647 17.814 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.399 17.038 19.133 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.983 18.719 19.163 1.00 0.00 H new ATOM 492 N TYR A 31 -13.136 20.668 17.277 1.00 0.00 N ATOM 493 CA TYR A 31 -11.957 21.418 17.696 1.00 0.00 C ATOM 494 C TYR A 31 -12.280 22.866 18.070 1.00 0.00 C ATOM 495 O TYR A 31 -13.450 23.236 18.161 1.00 0.00 O ATOM 496 CB TYR A 31 -10.788 21.215 16.724 1.00 0.00 C ATOM 497 CG TYR A 31 -10.949 21.418 15.229 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.264 22.682 14.696 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.568 20.374 14.363 1.00 0.00 C ATOM 500 CE1 TYR A 31 -11.166 22.905 13.309 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.459 20.592 12.981 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.736 21.870 12.448 1.00 0.00 C ATOM 503 OH TYR A 31 -10.582 22.092 11.112 1.00 0.00 O ATOM 0 H TYR A 31 -13.401 20.826 16.305 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.599 21.001 18.637 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.988 21.881 17.049 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.432 20.195 16.868 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.581 23.481 15.350 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.357 19.395 14.767 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.421 23.872 12.901 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.164 19.785 12.327 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.849 21.291 10.614 1.00 0.00 H new ATOM 574 N PRO A 37 -9.806 19.507 21.646 1.00 0.00 N ATOM 575 CA PRO A 37 -10.966 19.055 20.880 1.00 0.00 C ATOM 576 C PRO A 37 -11.790 17.933 21.517 1.00 0.00 C ATOM 577 O PRO A 37 -11.600 17.584 22.682 1.00 0.00 O ATOM 578 CB PRO A 37 -10.405 18.590 19.539 1.00 0.00 C ATOM 579 CG PRO A 37 -9.208 19.493 19.404 1.00 0.00 C ATOM 580 CD PRO A 37 -8.628 19.391 20.801 1.00 0.00 C ATOM 0 HA PRO A 37 -11.673 19.882 20.810 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.128 17.536 19.550 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.117 18.724 18.725 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.512 19.148 18.640 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.486 20.514 19.144 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.110 18.445 20.956 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.908 20.185 20.999 1.00 0.00 H new ATOM 588 N LEU A 38 -12.714 17.369 20.722 1.00 0.00 N ATOM 589 CA LEU A 38 -13.557 16.255 21.117 1.00 0.00 C ATOM 590 C LEU A 38 -13.896 15.419 19.886 1.00 0.00 C ATOM 591 O LEU A 38 -14.701 15.811 19.047 1.00 0.00 O ATOM 592 CB LEU A 38 -14.828 16.754 21.823 1.00 0.00 C ATOM 593 CG LEU A 38 -15.713 15.574 22.268 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.195 15.015 23.587 1.00 0.00 C ATOM 595 CD2 LEU A 38 -17.172 15.995 22.404 1.00 0.00 C ATOM 0 H LEU A 38 -12.891 17.689 19.770 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.019 15.629 21.829 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.554 17.355 22.690 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.391 17.402 21.151 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.664 14.799 21.503 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.822 14.180 23.900 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.169 14.669 23.458 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.222 15.795 24.348 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.770 15.140 22.719 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.254 16.789 23.147 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.537 16.358 21.443 1.00 0.00 H new ATOM 607 N ALA A 39 -13.285 14.244 19.794 1.00 0.00 N ATOM 608 CA ALA A 39 -13.682 13.217 18.850 1.00 0.00 C ATOM 609 C ALA A 39 -15.035 12.640 19.256 1.00 0.00 C ATOM 610 O ALA A 39 -15.226 12.273 20.417 1.00 0.00 O ATOM 611 CB ALA A 39 -12.649 12.107 18.888 1.00 0.00 C ATOM 0 H ALA A 39 -12.493 13.979 20.380 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.754 13.644 17.850 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.930 11.324 18.184 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.673 12.508 18.614 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.600 11.690 19.894 1.00 0.00 H new ATOM 617 N ILE A 40 -15.949 12.509 18.290 1.00 0.00 N ATOM 618 CA ILE A 40 -17.276 11.962 18.466 1.00 0.00 C ATOM 619 C ILE A 40 -17.516 10.948 17.331 1.00 0.00 C ATOM 620 O ILE A 40 -17.033 11.139 16.211 1.00 0.00 O ATOM 621 CB ILE A 40 -18.288 13.125 18.464 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.413 13.924 17.148 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.050 14.035 19.682 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.294 14.929 16.893 1.00 0.00 C ATOM 0 H ILE A 40 -15.766 12.796 17.329 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.392 11.438 19.415 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.266 12.651 18.543 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.446 13.221 16.316 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.364 14.456 17.153 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.770 14.853 19.671 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.172 13.457 20.598 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.039 14.441 19.641 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.472 15.439 15.946 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.271 15.661 17.700 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.338 14.406 16.850 1.00 0.00 H new ATOM 636 N GLU A 41 -18.251 9.869 17.617 1.00 0.00 N ATOM 637 CA GLU A 41 -18.555 8.781 16.707 1.00 0.00 C ATOM 638 C GLU A 41 -20.007 8.944 16.260 1.00 0.00 C ATOM 639 O GLU A 41 -20.919 8.750 17.059 1.00 0.00 O ATOM 640 CB GLU A 41 -18.198 7.452 17.418 1.00 0.00 C ATOM 641 CG GLU A 41 -19.025 6.206 17.046 1.00 0.00 C ATOM 642 CD GLU A 41 -18.390 4.875 17.483 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.440 4.896 18.299 1.00 0.00 O ATOM 644 OE2 GLU A 41 -18.846 3.837 16.953 1.00 0.00 O ATOM 0 H GLU A 41 -18.667 9.732 18.538 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.966 8.782 15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.149 7.233 17.217 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.290 7.609 18.493 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.013 6.291 17.499 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.170 6.189 15.966 1.00 0.00 H new ATOM 651 N LEU A 42 -20.221 9.370 15.004 1.00 0.00 N ATOM 652 CA LEU A 42 -21.549 9.719 14.502 1.00 0.00 C ATOM 653 C LEU A 42 -21.918 8.912 13.267 1.00 0.00 C ATOM 654 O LEU A 42 -21.078 8.279 12.627 1.00 0.00 O ATOM 655 CB LEU A 42 -21.715 11.235 14.268 1.00 0.00 C ATOM 656 CG LEU A 42 -21.067 11.822 13.000 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.655 13.194 12.710 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.563 12.037 13.147 1.00 0.00 C ATOM 0 H LEU A 42 -19.477 9.480 14.315 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.255 9.449 15.287 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.781 11.458 14.238 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.304 11.758 15.132 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.261 11.101 12.206 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.194 13.605 11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.730 13.104 12.557 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.463 13.858 13.553 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.163 12.452 12.222 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.373 12.729 13.968 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.078 11.084 13.357 1.00 0.00 H new ATOM 670 N ASP A 43 -23.209 8.965 12.944 1.00 0.00 N ATOM 671 CA ASP A 43 -23.782 8.271 11.812 1.00 0.00 C ATOM 672 C ASP A 43 -23.441 9.027 10.532 1.00 0.00 C ATOM 673 O ASP A 43 -23.719 10.224 10.422 1.00 0.00 O ATOM 674 CB ASP A 43 -25.294 8.109 12.004 1.00 0.00 C ATOM 675 CG ASP A 43 -25.725 6.725 11.544 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.542 5.782 12.351 1.00 0.00 O ATOM 677 OD2 ASP A 43 -26.202 6.645 10.393 1.00 0.00 O ATOM 0 H ASP A 43 -23.892 9.504 13.477 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.360 7.269 11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.554 8.251 13.053 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.826 8.873 11.437 1.00 0.00 H new ATOM 682 N HIS A 44 -22.832 8.317 9.576 1.00 0.00 N ATOM 683 CA HIS A 44 -22.508 8.860 8.268 1.00 0.00 C ATOM 684 C HIS A 44 -23.788 9.242 7.542 1.00 0.00 C ATOM 685 O HIS A 44 -23.872 10.362 7.056 1.00 0.00 O ATOM 686 CB HIS A 44 -21.722 7.820 7.462 1.00 0.00 C ATOM 687 CG HIS A 44 -21.357 8.228 6.054 1.00 0.00 C ATOM 688 ND1 HIS A 44 -22.233 8.636 5.070 1.00 0.00 N ATOM 689 CD2 HIS A 44 -20.109 8.165 5.494 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.522 8.834 3.951 1.00 0.00 C ATOM 691 NE2 HIS A 44 -20.229 8.542 4.153 1.00 0.00 N ATOM 0 H HIS A 44 -22.551 7.344 9.697 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.893 9.752 8.383 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.805 7.584 8.002 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.309 6.903 7.415 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -23.240 8.764 5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -19.198 7.877 5.997 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.934 9.181 3.015 1.00 0.00 H new ATOM 699 N ASP A 45 -24.763 8.330 7.428 1.00 0.00 N ATOM 700 CA ASP A 45 -25.968 8.570 6.633 1.00 0.00 C ATOM 701 C ASP A 45 -26.782 9.752 7.169 1.00 0.00 C ATOM 702 O ASP A 45 -27.364 10.505 6.387 1.00 0.00 O ATOM 703 CB ASP A 45 -26.823 7.302 6.610 1.00 0.00 C ATOM 704 CG ASP A 45 -27.863 7.370 5.492 1.00 0.00 C ATOM 705 OD1 ASP A 45 -27.435 7.288 4.319 1.00 0.00 O ATOM 706 OD2 ASP A 45 -29.061 7.505 5.824 1.00 0.00 O ATOM 0 H ASP A 45 -24.737 7.416 7.880 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.660 8.826 5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.185 6.430 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.323 7.177 7.571 1.00 0.00 H new ATOM 711 N LYS A 46 -26.748 9.954 8.497 1.00 0.00 N ATOM 712 CA LYS A 46 -27.243 11.167 9.129 1.00 0.00 C ATOM 713 C LYS A 46 -26.439 12.355 8.602 1.00 0.00 C ATOM 714 O LYS A 46 -26.984 13.102 7.795 1.00 0.00 O ATOM 715 CB LYS A 46 -27.199 11.053 10.659 1.00 0.00 C ATOM 716 CG LYS A 46 -27.792 12.286 11.341 1.00 0.00 C ATOM 717 CD LYS A 46 -27.533 12.292 12.851 1.00 0.00 C ATOM 718 CE LYS A 46 -28.250 11.200 13.645 1.00 0.00 C ATOM 719 NZ LYS A 46 -29.720 11.326 13.573 1.00 0.00 N ATOM 0 H LYS A 46 -26.373 9.272 9.156 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.292 11.320 8.874 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.749 10.165 10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.167 10.920 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.365 13.185 10.897 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.866 12.319 11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.460 12.194 13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.831 13.262 13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.953 10.223 13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.935 11.246 14.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -30.160 10.617 14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -30.002 12.278 13.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -30.034 11.171 12.594 1.00 0.00 H new ATOM 733 N VAL A 47 -25.181 12.553 9.038 1.00 0.00 N ATOM 734 CA VAL A 47 -24.434 13.769 8.744 1.00 0.00 C ATOM 735 C VAL A 47 -24.288 14.060 7.247 1.00 0.00 C ATOM 736 O VAL A 47 -24.130 15.207 6.851 1.00 0.00 O ATOM 737 CB VAL A 47 -23.081 13.726 9.437 1.00 0.00 C ATOM 738 CG1 VAL A 47 -22.061 12.899 8.690 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.540 15.138 9.629 1.00 0.00 C ATOM 0 H VAL A 47 -24.666 11.875 9.599 1.00 0.00 H new ATOM 0 HA VAL A 47 -25.018 14.600 9.139 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.246 13.249 10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.117 12.907 9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.419 11.874 8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.910 13.319 7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.571 15.092 10.126 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.427 15.620 8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -23.235 15.714 10.241 1.00 0.00 H new ATOM 749 N MET A 48 -24.352 13.019 6.423 1.00 0.00 N ATOM 750 CA MET A 48 -24.440 13.083 4.979 1.00 0.00 C ATOM 751 C MET A 48 -25.568 14.034 4.602 1.00 0.00 C ATOM 752 O MET A 48 -25.286 15.074 4.033 1.00 0.00 O ATOM 753 CB MET A 48 -24.603 11.684 4.369 1.00 0.00 C ATOM 754 CG MET A 48 -24.806 11.679 2.847 1.00 0.00 C ATOM 755 SD MET A 48 -23.330 11.320 1.855 1.00 0.00 S ATOM 756 CE MET A 48 -22.372 12.837 2.075 1.00 0.00 C ATOM 0 H MET A 48 -24.343 12.060 6.769 1.00 0.00 H new ATOM 0 HA MET A 48 -23.511 13.474 4.563 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.720 11.091 4.608 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.455 11.192 4.839 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.572 10.943 2.604 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.194 12.653 2.548 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.445 12.767 1.506 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.952 13.689 1.720 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.140 12.971 3.132 1.00 0.00 H new ATOM 766 N ASN A 49 -26.816 13.736 4.976 1.00 0.00 N ATOM 767 CA ASN A 49 -27.959 14.623 4.767 1.00 0.00 C ATOM 768 C ASN A 49 -27.798 16.005 5.409 1.00 0.00 C ATOM 769 O ASN A 49 -28.452 16.951 4.970 1.00 0.00 O ATOM 770 CB ASN A 49 -29.180 13.924 5.364 1.00 0.00 C ATOM 771 CG ASN A 49 -30.485 14.693 5.223 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.874 15.100 4.133 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.193 14.853 6.336 1.00 0.00 N ATOM 0 H ASN A 49 -27.061 12.860 5.438 1.00 0.00 H new ATOM 0 HA ASN A 49 -28.058 14.805 3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.294 12.951 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.995 13.740 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.095 15.329 6.303 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.835 14.500 7.223 1.00 0.00 H new ATOM 780 N MET A 50 -26.946 16.144 6.433 1.00 0.00 N ATOM 781 CA MET A 50 -26.786 17.373 7.160 1.00 0.00 C ATOM 782 C MET A 50 -25.827 18.286 6.382 1.00 0.00 C ATOM 783 O MET A 50 -26.269 19.279 5.825 1.00 0.00 O ATOM 784 CB MET A 50 -26.298 17.020 8.568 1.00 0.00 C ATOM 785 CG MET A 50 -27.109 15.997 9.337 1.00 0.00 C ATOM 786 SD MET A 50 -28.769 16.477 9.856 1.00 0.00 S ATOM 787 CE MET A 50 -28.605 15.996 11.591 1.00 0.00 C ATOM 0 H MET A 50 -26.350 15.388 6.770 1.00 0.00 H new ATOM 0 HA MET A 50 -27.720 17.925 7.265 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.275 16.653 8.490 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.264 17.937 9.155 1.00 0.00 H new ATOM 0 HG2 MET A 50 -27.194 15.102 8.721 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.545 15.719 10.227 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.582 15.713 11.984 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.923 15.150 11.671 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.212 16.835 12.165 1.00 0.00 H new ATOM 797 N GLN A 51 -24.539 17.928 6.270 1.00 0.00 N ATOM 798 CA GLN A 51 -23.492 18.585 5.469 1.00 0.00 C ATOM 799 C GLN A 51 -23.892 18.757 4.001 1.00 0.00 C ATOM 800 O GLN A 51 -23.321 19.598 3.307 1.00 0.00 O ATOM 801 CB GLN A 51 -22.191 17.757 5.650 1.00 0.00 C ATOM 802 CG GLN A 51 -21.238 17.557 4.460 1.00 0.00 C ATOM 803 CD GLN A 51 -21.745 16.698 3.303 1.00 0.00 C ATOM 804 OE1 GLN A 51 -22.630 15.750 3.583 1.00 0.00 O flip ATOM 805 NE2 GLN A 51 -21.329 16.874 2.161 1.00 0.00 N flip ATOM 0 H GLN A 51 -24.175 17.117 6.770 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.334 19.605 5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.617 18.224 6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -22.482 16.768 6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.979 18.539 4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -20.317 17.111 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -20.649 17.610 1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -21.664 16.284 1.400 1.00 0.00 H new ATOM 814 N ALA A 52 -24.888 17.995 3.540 1.00 0.00 N ATOM 815 CA ALA A 52 -25.492 18.101 2.244 1.00 0.00 C ATOM 816 C ALA A 52 -26.331 19.373 2.090 1.00 0.00 C ATOM 817 O ALA A 52 -26.828 19.596 0.985 1.00 0.00 O ATOM 818 CB ALA A 52 -26.290 16.831 1.955 1.00 0.00 C ATOM 0 H ALA A 52 -25.304 17.254 4.104 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.703 18.192 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.751 16.907 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.623 15.969 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -27.066 16.709 2.711 1.00 0.00 H new ATOM 824 N LYS A 53 -26.456 20.235 3.123 1.00 0.00 N ATOM 825 CA LYS A 53 -26.875 21.611 2.878 1.00 0.00 C ATOM 826 C LYS A 53 -25.834 22.589 3.402 1.00 0.00 C ATOM 827 O LYS A 53 -25.012 22.240 4.248 1.00 0.00 O ATOM 828 CB LYS A 53 -28.272 21.864 3.448 1.00 0.00 C ATOM 829 CG LYS A 53 -28.348 21.840 4.985 1.00 0.00 C ATOM 830 CD LYS A 53 -28.918 20.539 5.543 1.00 0.00 C ATOM 831 CE LYS A 53 -30.437 20.551 5.768 1.00 0.00 C ATOM 832 NZ LYS A 53 -31.201 21.031 4.599 1.00 0.00 N ATOM 0 H LYS A 53 -26.277 20.003 4.100 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.946 21.775 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.625 22.833 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.954 21.112 3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.349 21.995 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -28.964 22.673 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.672 19.727 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.425 20.319 6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.767 19.543 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -30.664 21.184 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -32.209 20.811 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -31.081 22.060 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.852 20.561 3.739 1.00 0.00 H new ATOM 846 N ALA A 54 -25.899 23.834 2.921 1.00 0.00 N ATOM 847 CA ALA A 54 -24.986 24.870 3.374 1.00 0.00 C ATOM 848 C ALA A 54 -25.375 25.436 4.737 1.00 0.00 C ATOM 849 O ALA A 54 -24.516 25.956 5.445 1.00 0.00 O ATOM 850 CB ALA A 54 -24.916 25.989 2.333 1.00 0.00 C ATOM 0 H ALA A 54 -26.574 24.141 2.221 1.00 0.00 H new ATOM 0 HA ALA A 54 -24.003 24.413 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.230 26.763 2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.560 25.583 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.908 26.419 2.193 1.00 0.00 H new ATOM 856 N GLU A 55 -26.641 25.264 5.130 1.00 0.00 N ATOM 857 CA GLU A 55 -27.168 25.575 6.444 1.00 0.00 C ATOM 858 C GLU A 55 -26.424 24.786 7.535 1.00 0.00 C ATOM 859 O GLU A 55 -26.437 25.175 8.694 1.00 0.00 O ATOM 860 CB GLU A 55 -28.672 25.244 6.522 1.00 0.00 C ATOM 861 CG GLU A 55 -29.529 25.489 5.262 1.00 0.00 C ATOM 862 CD GLU A 55 -30.895 24.804 5.386 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.670 25.201 6.283 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.133 23.852 4.605 1.00 0.00 O ATOM 0 H GLU A 55 -27.352 24.886 4.504 1.00 0.00 H new ATOM 0 HA GLU A 55 -27.023 26.642 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.770 24.193 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -29.101 25.826 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.667 26.560 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -29.007 25.111 4.383 1.00 0.00 H new ATOM 871 N PHE A 56 -25.767 23.676 7.183 1.00 0.00 N ATOM 872 CA PHE A 56 -25.023 22.860 8.123 1.00 0.00 C ATOM 873 C PHE A 56 -23.760 23.548 8.593 1.00 0.00 C ATOM 874 O PHE A 56 -23.476 23.620 9.786 1.00 0.00 O ATOM 875 CB PHE A 56 -24.634 21.570 7.412 1.00 0.00 C ATOM 876 CG PHE A 56 -23.760 20.593 8.171 1.00 0.00 C ATOM 877 CD1 PHE A 56 -24.388 19.619 8.948 1.00 0.00 C ATOM 878 CD2 PHE A 56 -22.360 20.557 8.008 1.00 0.00 C ATOM 879 CE1 PHE A 56 -23.652 18.558 9.498 1.00 0.00 C ATOM 880 CE2 PHE A 56 -21.615 19.516 8.593 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.264 18.503 9.315 1.00 0.00 C ATOM 0 H PHE A 56 -25.742 23.323 6.226 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.649 22.675 8.996 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.550 21.052 7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.119 21.836 6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -25.451 19.682 9.128 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -21.861 21.325 7.436 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -24.155 17.786 10.061 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -20.541 19.497 8.486 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.695 17.683 9.728 1.00 0.00 H new ATOM 891 N TYR A 57 -22.964 23.978 7.617 1.00 0.00 N ATOM 892 CA TYR A 57 -21.679 24.577 7.919 1.00 0.00 C ATOM 893 C TYR A 57 -21.839 26.042 8.323 1.00 0.00 C ATOM 894 O TYR A 57 -21.061 26.548 9.132 1.00 0.00 O ATOM 895 CB TYR A 57 -20.709 24.389 6.741 1.00 0.00 C ATOM 896 CG TYR A 57 -20.955 25.209 5.485 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.610 26.576 5.449 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.441 24.584 4.321 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.772 27.323 4.269 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.579 25.317 3.129 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.253 26.692 3.099 1.00 0.00 C ATOM 902 OH TYR A 57 -21.399 27.398 1.942 1.00 0.00 O ATOM 0 H TYR A 57 -23.188 23.921 6.623 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.244 24.065 8.777 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.703 24.613 7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.721 23.336 6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.218 27.053 6.335 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.709 23.538 4.344 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.530 28.375 4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.935 24.828 2.234 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.739 26.807 1.239 1.00 0.00 H new ATOM 912 N SER A 58 -22.861 26.710 7.773 1.00 0.00 N ATOM 913 CA SER A 58 -23.173 28.098 8.058 1.00 0.00 C ATOM 914 C SER A 58 -23.819 28.222 9.439 1.00 0.00 C ATOM 915 O SER A 58 -23.496 29.159 10.171 1.00 0.00 O ATOM 916 CB SER A 58 -24.096 28.631 6.956 1.00 0.00 C ATOM 917 OG SER A 58 -24.339 30.011 7.125 1.00 0.00 O ATOM 0 H SER A 58 -23.502 26.283 7.104 1.00 0.00 H new ATOM 0 HA SER A 58 -22.260 28.693 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.643 28.454 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.040 28.087 6.973 1.00 0.00 H new ATOM 0 HG SER A 58 -24.929 30.329 6.410 1.00 0.00 H new ATOM 923 N GLU A 59 -24.705 27.285 9.814 1.00 0.00 N ATOM 924 CA GLU A 59 -25.579 27.428 10.968 1.00 0.00 C ATOM 925 C GLU A 59 -25.327 26.237 11.888 1.00 0.00 C ATOM 926 O GLU A 59 -25.269 25.093 11.445 1.00 0.00 O ATOM 927 CB GLU A 59 -27.068 27.578 10.582 1.00 0.00 C ATOM 928 CG GLU A 59 -27.393 28.104 9.164 1.00 0.00 C ATOM 929 CD GLU A 59 -28.548 29.106 9.162 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.671 28.690 9.520 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.288 30.274 8.796 1.00 0.00 O ATOM 0 H GLU A 59 -24.828 26.404 9.315 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.345 28.356 11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.544 26.604 10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.536 28.248 11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.506 28.576 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.644 27.264 8.517 1.00 0.00 H new ATOM 938 N VAL A 60 -25.123 26.530 13.172 1.00 0.00 N ATOM 939 CA VAL A 60 -24.618 25.596 14.168 1.00 0.00 C ATOM 940 C VAL A 60 -25.441 24.308 14.262 1.00 0.00 C ATOM 941 O VAL A 60 -26.658 24.304 14.069 1.00 0.00 O ATOM 942 CB VAL A 60 -24.506 26.356 15.503 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.849 26.899 16.023 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.888 25.502 16.591 1.00 0.00 C ATOM 0 H VAL A 60 -25.312 27.456 13.556 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.632 25.239 13.872 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.859 27.203 15.275 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.689 27.422 16.966 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -26.270 27.590 15.292 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.540 26.071 16.179 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.828 26.077 17.515 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.504 24.618 16.753 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.887 25.196 16.289 1.00 0.00 H new ATOM 954 N LEU A 61 -24.749 23.216 14.606 1.00 0.00 N ATOM 955 CA LEU A 61 -25.308 21.884 14.746 1.00 0.00 C ATOM 956 C LEU A 61 -25.236 21.498 16.222 1.00 0.00 C ATOM 957 O LEU A 61 -24.309 21.933 16.906 1.00 0.00 O ATOM 958 CB LEU A 61 -24.445 20.914 13.937 1.00 0.00 C ATOM 959 CG LEU A 61 -24.158 21.295 12.465 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.127 20.316 11.917 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.363 21.347 11.513 1.00 0.00 C ATOM 0 H LEU A 61 -23.748 23.246 14.800 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.339 21.852 14.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.490 20.800 14.450 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -24.931 19.938 13.947 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.805 22.326 12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.907 20.563 10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.213 20.382 12.507 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.523 19.302 11.973 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -25.026 21.625 10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.839 20.367 11.475 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -26.080 22.085 11.873 1.00 0.00 H new ATOM 973 N THR A 62 -26.150 20.646 16.708 1.00 0.00 N ATOM 974 CA THR A 62 -26.114 20.191 18.090 1.00 0.00 C ATOM 975 C THR A 62 -25.659 18.732 18.078 1.00 0.00 C ATOM 976 O THR A 62 -26.485 17.832 18.003 1.00 0.00 O ATOM 977 CB THR A 62 -27.475 20.405 18.776 1.00 0.00 C ATOM 978 OG1 THR A 62 -28.016 21.682 18.498 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.347 20.233 20.287 1.00 0.00 C ATOM 0 H THR A 62 -26.919 20.263 16.159 1.00 0.00 H new ATOM 0 HA THR A 62 -25.407 20.773 18.682 1.00 0.00 H new ATOM 0 HB THR A 62 -28.153 19.652 18.374 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.880 21.777 18.950 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.319 20.388 20.755 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.994 19.226 20.510 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.636 20.962 20.677 1.00 0.00 H new ATOM 987 N ILE A 63 -24.354 18.460 18.090 1.00 0.00 N ATOM 988 CA ILE A 63 -23.868 17.103 18.243 1.00 0.00 C ATOM 989 C ILE A 63 -24.255 16.582 19.642 1.00 0.00 C ATOM 990 O ILE A 63 -23.764 17.087 20.646 1.00 0.00 O ATOM 991 CB ILE A 63 -22.350 17.049 17.924 1.00 0.00 C ATOM 992 CG1 ILE A 63 -22.052 16.782 16.446 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.721 15.849 18.585 1.00 0.00 C ATOM 994 CD1 ILE A 63 -21.951 18.002 15.607 1.00 0.00 C ATOM 0 H ILE A 63 -23.622 19.164 17.995 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.338 16.427 17.528 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.972 18.016 18.256 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -21.117 16.227 16.372 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -22.835 16.142 16.041 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.656 15.823 18.354 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -21.856 15.916 19.665 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.195 14.940 18.216 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.738 17.718 14.576 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -22.893 18.549 15.646 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -21.147 18.636 15.982 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.143 15.581 19.710 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.649 14.999 20.950 1.00 0.00 C ATOM 1008 C VAL A 64 -24.858 13.731 21.251 1.00 0.00 C ATOM 1009 O VAL A 64 -25.203 12.647 20.783 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.164 14.767 20.867 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -27.755 14.098 22.104 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.877 16.102 20.730 1.00 0.00 C ATOM 0 H VAL A 64 -25.538 15.145 18.877 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.506 15.688 21.782 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.309 14.112 20.008 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -28.829 13.968 21.969 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.287 13.124 22.250 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.572 14.723 22.978 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -28.953 15.936 20.671 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.653 16.725 21.596 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.538 16.605 19.824 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.766 13.882 21.999 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.832 12.818 22.311 1.00 0.00 C ATOM 1024 C VAL A 65 -23.333 12.040 23.505 1.00 0.00 C ATOM 1025 O VAL A 65 -23.270 12.542 24.621 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.412 13.357 22.469 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -20.971 13.894 21.115 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.213 14.412 23.568 1.00 0.00 C ATOM 0 H VAL A 65 -23.505 14.777 22.413 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.776 12.117 21.479 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.793 12.525 22.806 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -19.958 14.288 21.192 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -20.992 13.089 20.380 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.647 14.690 20.802 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.168 14.722 23.590 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.844 15.276 23.361 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.485 13.987 24.534 1.00 0.00 H new ATOM 1038 N ASP A 66 -23.884 10.842 23.269 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.475 10.023 24.327 1.00 0.00 C ATOM 1040 C ASP A 66 -25.515 10.830 25.140 1.00 0.00 C ATOM 1041 O ASP A 66 -25.692 10.613 26.338 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.322 9.400 25.144 1.00 0.00 C ATOM 1043 CG ASP A 66 -23.774 8.473 26.271 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.516 7.512 25.972 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.347 8.740 27.418 1.00 0.00 O ATOM 0 H ASP A 66 -23.931 10.418 22.343 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.059 9.196 23.923 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.675 8.841 24.468 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -22.720 10.203 25.570 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.176 11.809 24.494 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.207 12.630 25.130 1.00 0.00 C ATOM 1052 C GLY A 67 -26.719 13.995 25.633 1.00 0.00 C ATOM 1053 O GLY A 67 -27.527 14.746 26.176 1.00 0.00 O ATOM 0 H GLY A 67 -26.006 12.048 23.517 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.017 12.789 24.418 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.626 12.077 25.971 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.431 14.335 25.466 1.00 0.00 N ATOM 1058 CA LYS A 68 -24.855 15.616 25.880 1.00 0.00 C ATOM 1059 C LYS A 68 -24.774 16.504 24.652 1.00 0.00 C ATOM 1060 O LYS A 68 -24.243 16.075 23.639 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.470 15.379 26.494 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.628 14.812 27.915 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.642 13.708 28.326 1.00 0.00 C ATOM 1064 CE LYS A 68 -23.017 12.369 27.677 1.00 0.00 C ATOM 1065 NZ LYS A 68 -22.425 11.210 28.370 1.00 0.00 N ATOM 0 H LYS A 68 -24.751 13.712 25.030 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.471 16.102 26.636 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -22.900 14.685 25.876 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.909 16.313 26.524 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.533 15.635 28.623 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.640 14.420 28.015 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.631 13.989 28.031 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.639 13.603 29.411 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -24.102 12.266 27.669 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.690 12.371 26.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.684 10.336 27.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.390 11.306 28.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.783 11.169 29.345 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.324 17.716 24.712 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.701 18.458 23.515 1.00 0.00 C ATOM 1081 C GLU A 69 -24.699 19.582 23.238 1.00 0.00 C ATOM 1082 O GLU A 69 -24.641 20.556 23.987 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.148 18.943 23.673 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.090 17.832 24.168 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.548 18.174 23.858 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.981 17.849 22.729 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.199 18.775 24.740 1.00 0.00 O ATOM 0 H GLU A 69 -25.519 18.206 25.585 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.665 17.817 22.634 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.174 19.777 24.375 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.508 19.321 22.716 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.825 16.887 23.694 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -27.965 17.695 25.242 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.876 19.416 22.190 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.702 20.259 21.928 1.00 0.00 C ATOM 1096 C ILE A 70 -22.970 21.098 20.682 1.00 0.00 C ATOM 1097 O ILE A 70 -23.249 20.548 19.620 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.405 19.420 21.763 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.827 18.873 23.084 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.293 20.280 21.155 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.734 17.849 23.739 1.00 0.00 C ATOM 0 H ILE A 70 -24.010 18.683 21.493 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.540 20.910 22.787 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.703 18.584 21.130 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.855 18.420 22.891 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.662 19.700 23.774 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.389 19.681 21.044 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.609 20.645 20.178 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.089 21.127 21.810 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.278 17.498 24.665 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.698 18.306 23.960 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.879 17.006 23.063 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.826 22.422 20.798 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.987 23.342 19.695 1.00 0.00 C ATOM 1115 C LYS A 71 -21.674 23.512 18.957 1.00 0.00 C ATOM 1116 O LYS A 71 -20.699 23.956 19.560 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.531 24.686 20.221 1.00 0.00 C ATOM 1118 CG LYS A 71 -25.042 24.698 20.500 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.837 23.978 19.400 1.00 0.00 C ATOM 1120 CE LYS A 71 -27.139 24.638 18.980 1.00 0.00 C ATOM 1121 NZ LYS A 71 -28.199 24.459 19.990 1.00 0.00 N ATOM 0 H LYS A 71 -22.591 22.880 21.679 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.708 22.942 18.983 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -23.003 24.942 21.139 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.303 25.465 19.494 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.237 24.220 21.460 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.387 25.729 20.581 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.200 23.884 18.521 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -26.059 22.967 19.742 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.970 25.702 18.816 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.469 24.218 18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.962 25.145 19.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.580 23.494 19.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.803 24.612 20.939 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.662 23.171 17.655 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.499 23.309 16.774 1.00 0.00 C ATOM 1137 C VAL A 72 -20.876 23.599 15.319 1.00 0.00 C ATOM 1138 O VAL A 72 -21.987 23.296 14.898 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.652 22.042 16.848 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.023 21.821 18.198 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.415 20.785 16.440 1.00 0.00 C ATOM 0 H VAL A 72 -22.479 22.785 17.182 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.931 24.170 17.126 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.857 22.217 16.123 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.435 20.903 18.180 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.374 22.663 18.439 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.804 21.737 18.954 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.757 19.919 16.514 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.271 20.648 17.101 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.764 20.888 15.412 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.936 24.144 14.532 1.00 0.00 N ATOM 1152 CA LYS A 73 -20.162 24.552 13.140 1.00 0.00 C ATOM 1153 C LYS A 73 -19.051 24.009 12.271 1.00 0.00 C ATOM 1154 O LYS A 73 -17.880 24.139 12.626 1.00 0.00 O ATOM 1155 CB LYS A 73 -20.141 26.072 13.000 1.00 0.00 C ATOM 1156 CG LYS A 73 -21.310 26.743 13.721 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.912 28.096 14.299 1.00 0.00 C ATOM 1158 CE LYS A 73 -20.499 29.123 13.234 1.00 0.00 C ATOM 1159 NZ LYS A 73 -21.615 29.511 12.348 1.00 0.00 N ATOM 0 H LYS A 73 -18.983 24.316 14.852 1.00 0.00 H new ATOM 0 HA LYS A 73 -21.135 24.166 12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.203 26.457 13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -20.170 26.337 11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -22.140 26.874 13.026 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.664 26.095 14.522 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.748 28.496 14.873 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.085 27.955 14.996 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.107 30.013 13.727 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.690 28.709 12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -21.387 30.409 11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.763 28.772 11.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -22.482 29.626 12.911 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.431 23.420 11.138 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.501 22.691 10.298 1.00 0.00 C ATOM 1175 C ALA A 74 -17.472 23.623 9.655 1.00 0.00 C ATOM 1176 O ALA A 74 -17.829 24.679 9.133 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.256 21.872 9.260 1.00 0.00 C ATOM 0 H ALA A 74 -20.387 23.438 10.784 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.941 21.999 10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.545 21.330 8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.912 21.162 9.764 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.853 22.537 8.636 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.203 23.204 9.699 1.00 0.00 N ATOM 1184 CA GLN A 75 -15.058 23.935 9.169 1.00 0.00 C ATOM 1185 C GLN A 75 -14.612 23.335 7.838 1.00 0.00 C ATOM 1186 O GLN A 75 -14.388 24.069 6.878 1.00 0.00 O ATOM 1187 CB GLN A 75 -13.903 23.893 10.190 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.420 25.296 10.568 1.00 0.00 C ATOM 1189 CD GLN A 75 -12.747 26.076 9.440 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -11.981 25.532 8.652 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -12.966 27.388 9.421 1.00 0.00 N ATOM 0 H GLN A 75 -15.940 22.313 10.121 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.346 24.972 8.996 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.231 23.369 11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.072 23.323 9.774 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.272 25.872 10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.719 25.211 11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.610 27.807 10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.490 27.975 8.736 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.506 22.002 7.784 1.00 0.00 N ATOM 1201 CA ASP A 76 -14.141 21.241 6.613 1.00 0.00 C ATOM 1202 C ASP A 76 -14.759 19.868 6.799 1.00 0.00 C ATOM 1203 O ASP A 76 -14.480 19.148 7.757 1.00 0.00 O ATOM 1204 CB ASP A 76 -12.623 21.136 6.409 1.00 0.00 C ATOM 1205 CG ASP A 76 -12.327 20.337 5.134 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -12.759 20.808 4.057 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -11.704 19.259 5.245 1.00 0.00 O ATOM 0 H ASP A 76 -14.683 21.412 8.597 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.509 21.740 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.187 22.132 6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.163 20.650 7.269 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.649 19.543 5.875 1.00 0.00 N ATOM 1213 CA VAL A 77 -16.152 18.209 5.651 1.00 0.00 C ATOM 1214 C VAL A 77 -15.290 17.626 4.522 1.00 0.00 C ATOM 1215 O VAL A 77 -15.054 18.237 3.476 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.659 18.255 5.336 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.527 18.840 6.466 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.891 19.080 4.085 1.00 0.00 C ATOM 0 H VAL A 77 -16.052 20.232 5.240 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.075 17.567 6.528 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.963 17.217 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.573 18.835 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.409 18.236 7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -18.214 19.864 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.958 19.112 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.523 20.094 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.359 18.628 3.247 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.824 16.415 4.769 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.933 15.639 3.918 1.00 0.00 C ATOM 1230 C GLN A 78 -14.823 14.654 3.171 1.00 0.00 C ATOM 1231 O GLN A 78 -15.347 13.711 3.762 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.829 14.931 4.733 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.821 15.908 5.365 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.864 15.230 6.353 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.867 15.546 7.540 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -10.037 14.288 5.895 1.00 0.00 N ATOM 0 H GLN A 78 -15.072 15.914 5.622 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.394 16.280 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.292 14.337 5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.295 14.238 4.083 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.240 16.383 4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.365 16.699 5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.047 14.037 4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.395 13.819 6.534 1.00 0.00 H new ATOM 1245 N ARG A 79 -15.049 14.922 1.882 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.808 14.057 0.983 1.00 0.00 C ATOM 1247 C ARG A 79 -14.966 12.838 0.596 1.00 0.00 C ATOM 1248 O ARG A 79 -13.743 12.848 0.731 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.225 14.851 -0.276 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.736 15.128 -0.363 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.311 15.911 0.824 1.00 0.00 C ATOM 1252 NE ARG A 79 -17.622 17.197 1.025 1.00 0.00 N ATOM 1253 CZ ARG A 79 -18.012 18.402 0.580 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.192 18.570 -0.028 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -17.205 19.454 0.760 1.00 0.00 N ATOM 0 H ARG A 79 -14.700 15.766 1.427 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.707 13.709 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.690 15.800 -0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.915 14.298 -1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.938 15.683 -1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -18.262 14.177 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.373 16.091 0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.227 15.310 1.729 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.754 17.169 1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.815 17.773 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.468 19.495 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -16.308 19.334 1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -17.487 20.376 0.427 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.633 11.811 0.061 1.00 0.00 N ATOM 1270 CA HIS A 80 -14.981 10.717 -0.638 1.00 0.00 C ATOM 1271 C HIS A 80 -14.403 11.203 -1.982 1.00 0.00 C ATOM 1272 O HIS A 80 -14.844 12.223 -2.513 1.00 0.00 O ATOM 1273 CB HIS A 80 -15.995 9.587 -0.852 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.773 8.384 0.033 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -15.920 8.334 1.402 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -15.476 7.117 -0.393 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -15.703 7.064 1.785 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -15.434 6.284 0.726 1.00 0.00 N ATOM 0 H HIS A 80 -16.648 11.722 0.105 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.151 10.343 -0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.998 9.975 -0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -15.955 9.270 -1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.304 6.815 -1.416 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -15.740 6.718 2.807 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -15.238 5.283 0.737 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.441 10.462 -2.562 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.694 10.881 -3.744 1.00 0.00 C ATOM 1288 C PRO A 81 -13.413 10.557 -5.064 1.00 0.00 C ATOM 1289 O PRO A 81 -13.176 11.231 -6.063 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.374 10.112 -3.636 1.00 0.00 C ATOM 1291 CG PRO A 81 -11.781 8.793 -2.974 1.00 0.00 C ATOM 1292 CD PRO A 81 -12.935 9.197 -2.055 1.00 0.00 C ATOM 0 HA PRO A 81 -12.567 11.963 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.924 9.947 -4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.642 10.653 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.095 8.054 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.956 8.354 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.717 8.437 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.593 9.300 -1.025 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.278 9.531 -5.069 1.00 0.00 N ATOM 1301 CA TYR A 82 -14.966 9.002 -6.247 1.00 0.00 C ATOM 1302 C TYR A 82 -16.414 8.588 -5.940 1.00 0.00 C ATOM 1303 O TYR A 82 -17.103 8.088 -6.828 1.00 0.00 O ATOM 1304 CB TYR A 82 -14.155 7.824 -6.821 1.00 0.00 C ATOM 1305 CG TYR A 82 -13.112 8.242 -7.839 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -13.496 8.443 -9.179 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -11.769 8.432 -7.458 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -12.547 8.828 -10.142 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -10.814 8.821 -8.415 1.00 0.00 C ATOM 1310 CZ TYR A 82 -11.198 9.020 -9.761 1.00 0.00 C ATOM 1311 OH TYR A 82 -10.269 9.395 -10.687 1.00 0.00 O ATOM 0 H TYR A 82 -14.524 9.030 -4.215 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.030 9.795 -6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.662 7.301 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.840 7.115 -7.286 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.527 8.300 -9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.473 8.279 -6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.847 8.977 -11.169 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.785 8.968 -8.121 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.394 9.483 -10.255 1.00 0.00 H new ATOM 1321 N LYS A 83 -16.884 8.791 -4.701 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.242 8.484 -4.267 1.00 0.00 C ATOM 1323 C LYS A 83 -18.881 9.748 -3.684 1.00 0.00 C ATOM 1324 O LYS A 83 -18.163 10.591 -3.142 1.00 0.00 O ATOM 1325 CB LYS A 83 -18.234 7.392 -3.183 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.146 5.947 -3.678 1.00 0.00 C ATOM 1327 CD LYS A 83 -16.778 5.532 -4.225 1.00 0.00 C ATOM 1328 CE LYS A 83 -16.784 4.010 -4.349 1.00 0.00 C ATOM 1329 NZ LYS A 83 -15.517 3.496 -4.906 1.00 0.00 N ATOM 0 H LYS A 83 -16.308 9.185 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 83 -18.809 8.128 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.392 7.577 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.141 7.495 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.409 5.281 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.892 5.800 -4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.594 5.996 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.981 5.861 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.955 3.567 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.612 3.701 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.563 2.459 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.366 3.898 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.729 3.768 -4.284 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.224 9.845 -3.691 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.966 10.843 -2.936 1.00 0.00 C ATOM 1345 C PRO A 84 -21.048 10.398 -1.464 1.00 0.00 C ATOM 1346 O PRO A 84 -22.130 10.112 -0.952 1.00 0.00 O ATOM 1347 CB PRO A 84 -22.325 10.908 -3.645 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.557 9.460 -4.078 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.146 8.953 -4.387 1.00 0.00 C ATOM 0 HA PRO A 84 -20.511 11.833 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -23.112 11.261 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -22.303 11.586 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -23.030 8.875 -3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.206 9.401 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.021 7.924 -4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -20.957 8.961 -5.461 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.892 10.289 -0.792 1.00 0.00 N ATOM 1358 CA LYS A 85 -19.776 9.839 0.594 1.00 0.00 C ATOM 1359 C LYS A 85 -18.872 10.814 1.364 1.00 0.00 C ATOM 1360 O LYS A 85 -18.421 11.819 0.813 1.00 0.00 O ATOM 1361 CB LYS A 85 -19.267 8.379 0.610 1.00 0.00 C ATOM 1362 CG LYS A 85 -20.234 7.333 0.032 1.00 0.00 C ATOM 1363 CD LYS A 85 -21.409 7.038 0.963 1.00 0.00 C ATOM 1364 CE LYS A 85 -22.300 5.951 0.361 1.00 0.00 C ATOM 1365 NZ LYS A 85 -23.464 5.670 1.225 1.00 0.00 N ATOM 0 H LYS A 85 -18.992 10.518 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 85 -20.743 9.841 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.333 8.333 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.036 8.105 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.615 7.687 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.689 6.409 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -21.039 6.717 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -21.990 7.946 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -22.644 6.265 -0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -21.720 5.039 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.049 4.929 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.135 5.348 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.030 6.535 1.338 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.620 10.527 2.644 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.771 11.294 3.550 1.00 0.00 C ATOM 1381 C LEU A 86 -16.669 10.381 4.082 1.00 0.00 C ATOM 1382 O LEU A 86 -16.820 9.160 4.125 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.609 11.851 4.717 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.573 12.986 4.319 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.748 13.068 5.303 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.879 14.350 4.274 1.00 0.00 C ATOM 0 H LEU A 86 -19.026 9.709 3.097 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.326 12.134 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -19.186 11.037 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.935 12.217 5.491 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.933 12.747 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.417 13.875 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.293 12.124 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.369 13.263 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.600 15.116 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.471 14.583 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.071 14.323 3.543 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.566 10.999 4.502 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.414 10.367 5.123 1.00 0.00 C ATOM 1400 C GLN A 87 -14.215 10.882 6.550 1.00 0.00 C ATOM 1401 O GLN A 87 -13.746 10.109 7.383 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.162 10.620 4.265 1.00 0.00 C ATOM 1403 CG GLN A 87 -13.245 9.866 2.929 1.00 0.00 C ATOM 1404 CD GLN A 87 -11.894 9.763 2.222 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -11.660 10.425 1.216 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.002 8.911 2.727 1.00 0.00 N ATOM 0 H GLN A 87 -15.451 12.008 4.411 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.587 9.293 5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.056 11.688 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.273 10.303 4.811 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.634 8.864 3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.955 10.372 2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.227 8.375 3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.095 8.795 2.275 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.598 12.140 6.838 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.443 12.803 8.133 1.00 0.00 C ATOM 1417 C HIS A 88 -15.027 14.205 8.067 1.00 0.00 C ATOM 1418 O HIS A 88 -15.270 14.728 6.980 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.968 12.856 8.524 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.690 13.517 9.838 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -12.002 14.688 10.025 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -13.000 13.005 11.066 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.881 14.856 11.349 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.487 13.870 12.027 1.00 0.00 N ATOM 0 H HIS A 88 -15.041 12.741 6.143 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.980 12.234 8.892 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.578 11.839 8.555 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.419 13.384 7.744 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -11.650 15.311 9.298 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.545 12.093 11.256 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.361 15.682 11.812 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.295 14.791 9.238 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.862 16.118 9.378 1.00 0.00 C ATOM 1434 C ILE A 89 -15.247 16.770 10.618 1.00 0.00 C ATOM 1435 O ILE A 89 -15.006 16.120 11.634 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.409 16.031 9.429 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.955 15.399 8.129 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -18.010 17.427 9.625 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.459 15.202 8.068 1.00 0.00 C ATOM 0 H ILE A 89 -15.116 14.336 10.133 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.626 16.746 8.519 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.694 15.401 10.272 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.656 16.027 7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.475 14.430 7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -19.097 17.354 9.659 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.645 17.852 10.560 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.716 18.070 8.795 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.729 14.752 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.773 14.546 8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.957 16.167 8.168 1.00 0.00 H new ATOM 1451 N ASP A 90 -15.042 18.080 10.511 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.507 18.970 11.529 1.00 0.00 C ATOM 1453 C ASP A 90 -15.616 19.963 11.867 1.00 0.00 C ATOM 1454 O ASP A 90 -16.173 20.558 10.944 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.327 19.774 10.949 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.161 18.926 10.446 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -11.986 17.809 10.972 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.431 19.405 9.554 1.00 0.00 O ATOM 0 H ASP A 90 -15.262 18.579 9.649 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.173 18.401 12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.693 20.388 10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.958 20.456 11.715 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.909 20.201 13.152 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.704 21.320 13.616 1.00 0.00 C ATOM 1465 C PHE A 91 -15.837 22.126 14.590 1.00 0.00 C ATOM 1466 O PHE A 91 -14.911 21.571 15.185 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.991 20.803 14.266 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.588 19.507 13.742 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -18.200 18.289 14.320 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -19.588 19.510 12.754 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -18.802 17.088 13.933 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -20.201 18.300 12.377 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.804 17.086 12.966 1.00 0.00 C ATOM 0 H PHE A 91 -15.586 19.598 13.909 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.008 21.969 12.795 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.798 20.674 15.331 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.748 21.581 14.171 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.426 18.279 15.074 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -19.885 20.437 12.286 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.489 16.159 14.386 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -20.981 18.304 11.630 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.273 16.159 12.670 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.148 23.414 14.785 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.473 24.259 15.774 1.00 0.00 C ATOM 1485 C VAL A 92 -16.463 24.583 16.886 1.00 0.00 C ATOM 1486 O VAL A 92 -17.663 24.602 16.617 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.810 25.517 15.157 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -14.209 25.238 13.776 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.758 26.717 14.990 1.00 0.00 C ATOM 0 H VAL A 92 -16.876 23.898 14.260 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.633 23.708 16.196 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.037 25.770 15.883 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.756 26.149 13.385 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.448 24.462 13.860 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.994 24.904 13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.213 27.553 14.552 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.584 26.440 14.335 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.150 27.010 15.964 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.973 24.857 18.106 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.799 25.180 19.270 1.00 0.00 C ATOM 1501 C ARG A 93 -17.684 26.398 18.992 1.00 0.00 C ATOM 1502 O ARG A 93 -17.233 27.539 19.097 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.949 25.449 20.525 1.00 0.00 C ATOM 1504 CG ARG A 93 -15.188 24.250 21.096 1.00 0.00 C ATOM 1505 CD ARG A 93 -16.079 23.065 21.493 1.00 0.00 C ATOM 1506 NE ARG A 93 -15.450 22.184 22.496 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.223 21.630 22.477 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -13.403 21.754 21.430 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.797 20.941 23.540 1.00 0.00 N ATOM 0 H ARG A 93 -14.974 24.859 18.310 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.425 24.308 19.458 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -15.228 26.232 20.289 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.603 25.842 21.304 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.461 23.911 20.358 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.625 24.575 21.971 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -17.022 23.443 21.889 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.317 22.482 20.603 1.00 0.00 H new ATOM 0 HE ARG A 93 -16.021 21.966 23.313 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.700 22.282 20.610 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.480 21.320 21.451 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.400 20.838 24.356 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.869 20.518 23.535 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.945 26.132 18.646 1.00 0.00 N ATOM 1524 CA ALA A 94 -20.020 27.117 18.718 1.00 0.00 C ATOM 1525 C ALA A 94 -20.555 27.255 20.157 1.00 0.00 C ATOM 1526 O ALA A 94 -19.861 26.809 21.098 1.00 0.00 O ATOM 1527 CB ALA A 94 -21.130 26.698 17.759 1.00 0.00 C ATOM 1528 OXT ALA A 94 -21.670 27.807 20.294 1.00 0.00 O ATOM 0 H ALA A 94 -19.249 25.220 18.306 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.635 28.095 18.427 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.941 27.425 17.802 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.736 26.653 16.744 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.507 25.716 18.046 1.00 0.00 H new