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 80 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-1.9) USER MOD Set 1.2: A 87 GLN :FLIP amide:sc= 0.00865 F(o=-4.8!,f=-1.4) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl 161:sc= -2.17! (180deg=-2.5) USER MOD Set 3.2: A 51 GLN : amide:sc= -2.93! C(o=-5.1!,f=-13!) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -151:sc= 0.317 (180deg=0) USER MOD Set 4.2: A 12 GLN : amide:sc= -1.52 K(o=-1.2,f=-7.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.986 F(o=-2.6,f=-0.99) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= -0.0168 (180deg=-0.137) USER MOD Single : A 17 SER OG : rot 180:sc= -0.113 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= 1.13 (180deg=0.437) USER MOD Single : A 31 TYR OH : rot -158:sc= 1.19 USER MOD Single : A 44 HIS : no HE2:sc= -0.461 K(o=-0.46,f=-7.5!) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00305) USER MOD Single : A 49 ASN : amide:sc=-0.00492 X(o=-0.0049,f=0) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.557 (180deg=-3.28) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 1.05 (180deg=0.898) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -26:sc= 0.0565 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0982 X(o=-0.098,f=-0.23) USER MOD Single : A 78 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.8) 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 88 HIS : no HD1:sc= -1.01 X(o=-1,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -31.040 20.594 12.910 1.00 0.00 N ATOM 21 CA PHE A 2 -30.659 19.287 12.374 1.00 0.00 C ATOM 22 C PHE A 2 -30.263 18.297 13.475 1.00 0.00 C ATOM 23 O PHE A 2 -30.850 17.222 13.549 1.00 0.00 O ATOM 24 CB PHE A 2 -29.524 19.424 11.346 1.00 0.00 C ATOM 25 CG PHE A 2 -29.437 20.742 10.610 1.00 0.00 C ATOM 26 CD1 PHE A 2 -30.274 21.009 9.513 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.503 21.705 11.030 1.00 0.00 C ATOM 28 CE1 PHE A 2 -30.129 22.215 8.807 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.322 22.886 10.293 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.115 23.124 9.162 1.00 0.00 C ATOM 0 HA PHE A 2 -31.541 18.884 11.876 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.577 19.256 11.859 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -29.633 18.628 10.609 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -31.024 20.292 9.215 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -27.922 21.535 11.924 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -30.797 22.445 7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -27.577 23.607 10.596 1.00 0.00 H new ATOM 0 HZ PHE A 2 -28.948 24.006 8.562 1.00 0.00 H new ATOM 40 N THR A 3 -29.289 18.691 14.315 1.00 0.00 N ATOM 41 CA THR A 3 -28.766 17.985 15.487 1.00 0.00 C ATOM 42 C THR A 3 -28.111 16.633 15.145 1.00 0.00 C ATOM 43 O THR A 3 -28.767 15.679 14.721 1.00 0.00 O ATOM 44 CB THR A 3 -29.875 17.805 16.520 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.572 19.018 16.746 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.364 17.288 17.870 1.00 0.00 C ATOM 0 H THR A 3 -28.813 19.582 14.176 1.00 0.00 H new ATOM 0 HA THR A 3 -27.972 18.604 15.903 1.00 0.00 H new ATOM 0 HB THR A 3 -30.543 17.057 16.093 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.277 18.871 17.411 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.201 17.182 18.560 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.884 16.319 17.731 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.643 17.995 18.281 1.00 0.00 H new ATOM 54 N ILE A 4 -26.796 16.539 15.365 1.00 0.00 N ATOM 55 CA ILE A 4 -25.965 15.450 14.885 1.00 0.00 C ATOM 56 C ILE A 4 -25.609 14.558 16.071 1.00 0.00 C ATOM 57 O ILE A 4 -24.551 14.688 16.680 1.00 0.00 O ATOM 58 CB ILE A 4 -24.741 15.948 14.078 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.744 17.417 13.613 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.535 15.007 12.885 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.921 17.902 12.763 1.00 0.00 C ATOM 0 H ILE A 4 -26.276 17.238 15.895 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.520 14.851 14.163 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.910 15.925 14.783 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.691 18.048 14.500 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.830 17.589 13.045 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.676 15.341 12.302 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.357 13.994 13.247 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.425 15.016 12.256 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.781 18.954 12.514 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.973 17.316 11.845 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.848 17.782 13.323 1.00 0.00 H new ATOM 73 N ASN A 5 -26.538 13.671 16.434 1.00 0.00 N ATOM 74 CA ASN A 5 -26.408 12.816 17.599 1.00 0.00 C ATOM 75 C ASN A 5 -25.169 11.936 17.427 1.00 0.00 C ATOM 76 O ASN A 5 -25.083 11.183 16.453 1.00 0.00 O ATOM 77 CB ASN A 5 -27.684 11.992 17.835 1.00 0.00 C ATOM 78 CG ASN A 5 -28.864 12.805 18.375 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.187 13.944 17.765 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 -29.482 12.416 19.359 1.00 0.00 N flip ATOM 0 H ASN A 5 -27.407 13.531 15.918 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.280 13.428 18.492 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.979 11.523 16.896 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.460 11.188 18.536 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -29.220 11.541 19.813 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -30.259 12.967 19.724 1.00 0.00 H new ATOM 87 N ALA A 6 -24.212 12.079 18.352 1.00 0.00 N ATOM 88 CA ALA A 6 -22.951 11.356 18.367 1.00 0.00 C ATOM 89 C ALA A 6 -22.834 10.645 19.722 1.00 0.00 C ATOM 90 O ALA A 6 -23.818 10.462 20.441 1.00 0.00 O ATOM 91 CB ALA A 6 -21.778 12.320 18.060 1.00 0.00 C ATOM 0 H ALA A 6 -24.306 12.726 19.135 1.00 0.00 H new ATOM 0 HA ALA A 6 -22.912 10.596 17.586 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.839 11.767 18.074 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.922 12.766 17.076 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.747 13.107 18.814 1.00 0.00 H new ATOM 97 N GLU A 7 -21.618 10.248 20.074 1.00 0.00 N ATOM 98 CA GLU A 7 -21.197 9.824 21.398 1.00 0.00 C ATOM 99 C GLU A 7 -19.696 10.094 21.453 1.00 0.00 C ATOM 100 O GLU A 7 -19.003 9.935 20.453 1.00 0.00 O ATOM 101 CB GLU A 7 -21.540 8.344 21.640 1.00 0.00 C ATOM 102 CG GLU A 7 -20.848 7.399 20.649 1.00 0.00 C ATOM 103 CD GLU A 7 -21.458 5.996 20.671 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.046 5.203 21.546 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.337 5.741 19.817 1.00 0.00 O ATOM 0 H GLU A 7 -20.854 10.212 19.399 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.715 10.367 22.188 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.252 8.071 22.655 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.619 8.210 21.568 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.923 7.811 19.643 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.787 7.336 20.889 1.00 0.00 H new ATOM 112 N VAL A 8 -19.186 10.529 22.601 1.00 0.00 N ATOM 113 CA VAL A 8 -17.767 10.813 22.774 1.00 0.00 C ATOM 114 C VAL A 8 -16.938 9.547 22.607 1.00 0.00 C ATOM 115 O VAL A 8 -17.322 8.469 23.060 1.00 0.00 O ATOM 116 CB VAL A 8 -17.515 11.457 24.145 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.946 12.918 24.077 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.259 10.760 25.291 1.00 0.00 C ATOM 0 H VAL A 8 -19.746 10.694 23.437 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.459 11.518 22.002 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.451 11.361 24.362 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.775 13.393 25.043 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.366 13.433 23.311 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -19.006 12.974 23.828 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.036 11.266 26.230 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.332 10.798 25.104 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.938 9.720 25.354 1.00 0.00 H new ATOM 128 N ARG A 9 -15.776 9.715 21.971 1.00 0.00 N ATOM 129 CA ARG A 9 -14.801 8.639 21.814 1.00 0.00 C ATOM 130 C ARG A 9 -13.381 9.133 22.054 1.00 0.00 C ATOM 131 O ARG A 9 -13.092 10.305 21.834 1.00 0.00 O ATOM 132 CB ARG A 9 -14.959 7.966 20.451 1.00 0.00 C ATOM 133 CG ARG A 9 -14.846 8.977 19.321 1.00 0.00 C ATOM 134 CD ARG A 9 -14.405 8.364 18.002 1.00 0.00 C ATOM 135 NE ARG A 9 -13.951 9.484 17.188 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.833 9.547 16.448 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.134 8.439 16.188 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.414 10.728 15.982 1.00 0.00 N ATOM 0 H ARG A 9 -15.487 10.599 21.552 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.998 7.884 22.576 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.196 7.197 20.332 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.926 7.466 20.400 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.811 9.464 19.182 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.136 9.753 19.608 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.605 7.639 18.154 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.227 7.836 17.520 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.548 10.311 17.180 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.449 7.540 16.552 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.285 8.492 15.625 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.943 11.575 16.189 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.565 10.782 15.419 1.00 0.00 H new ATOM 152 N LYS A 10 -12.482 8.219 22.433 1.00 0.00 N ATOM 153 CA LYS A 10 -11.035 8.428 22.476 1.00 0.00 C ATOM 154 C LYS A 10 -10.244 7.260 21.864 1.00 0.00 C ATOM 155 O LYS A 10 -9.021 7.325 21.775 1.00 0.00 O ATOM 156 CB LYS A 10 -10.587 8.733 23.911 1.00 0.00 C ATOM 157 CG LYS A 10 -10.931 10.160 24.371 1.00 0.00 C ATOM 158 CD LYS A 10 -10.078 11.271 23.719 1.00 0.00 C ATOM 159 CE LYS A 10 -10.726 11.955 22.503 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.789 12.903 21.860 1.00 0.00 N ATOM 0 H LYS A 10 -12.754 7.281 22.728 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.810 9.293 21.852 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.055 8.019 24.589 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.510 8.585 23.986 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.982 10.353 24.155 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.812 10.217 25.453 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.860 12.030 24.471 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.124 10.843 23.411 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.037 11.200 21.781 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.625 12.485 22.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.327 13.670 21.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.153 13.303 22.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.228 12.403 21.141 1.00 0.00 H new ATOM 174 N GLU A 11 -10.939 6.221 21.390 1.00 0.00 N ATOM 175 CA GLU A 11 -10.398 4.973 20.835 1.00 0.00 C ATOM 176 C GLU A 11 -9.759 5.125 19.435 1.00 0.00 C ATOM 177 O GLU A 11 -9.496 4.122 18.773 1.00 0.00 O ATOM 178 CB GLU A 11 -11.464 3.837 20.837 1.00 0.00 C ATOM 179 CG GLU A 11 -12.858 4.103 21.441 1.00 0.00 C ATOM 180 CD GLU A 11 -12.858 4.421 22.939 1.00 0.00 C ATOM 181 OE1 GLU A 11 -12.609 3.487 23.732 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.121 5.601 23.260 1.00 0.00 O ATOM 0 H GLU A 11 -11.959 6.228 21.383 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.584 4.695 21.505 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.611 3.525 19.803 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.035 2.988 21.368 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.317 4.935 20.907 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.486 3.229 21.269 1.00 0.00 H new ATOM 189 N GLN A 12 -9.538 6.361 18.966 1.00 0.00 N ATOM 190 CA GLN A 12 -9.200 6.733 17.586 1.00 0.00 C ATOM 191 C GLN A 12 -8.104 5.897 16.916 1.00 0.00 C ATOM 192 O GLN A 12 -8.230 5.613 15.728 1.00 0.00 O ATOM 193 CB GLN A 12 -8.834 8.221 17.465 1.00 0.00 C ATOM 194 CG GLN A 12 -8.351 8.980 18.700 1.00 0.00 C ATOM 195 CD GLN A 12 -9.470 9.628 19.534 1.00 0.00 C ATOM 196 OE1 GLN A 12 -9.188 10.447 20.398 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.751 9.298 19.329 1.00 0.00 N ATOM 0 H GLN A 12 -9.594 7.176 19.577 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.122 6.517 17.046 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.057 8.305 16.705 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.711 8.743 17.083 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.793 8.293 19.337 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.656 9.757 18.383 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.993 8.616 18.610 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.485 9.729 19.891 1.00 0.00 H new ATOM 206 N GLY A 13 -7.072 5.524 17.683 1.00 0.00 N ATOM 207 CA GLY A 13 -5.812 4.858 17.317 1.00 0.00 C ATOM 208 C GLY A 13 -5.834 3.576 16.455 1.00 0.00 C ATOM 209 O GLY A 13 -4.771 2.988 16.294 1.00 0.00 O ATOM 0 H GLY A 13 -7.102 5.701 18.687 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.200 5.591 16.791 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.293 4.615 18.244 1.00 0.00 H new ATOM 213 N LYS A 14 -7.003 3.178 15.923 1.00 0.00 N ATOM 214 CA LYS A 14 -7.462 2.125 14.990 1.00 0.00 C ATOM 215 C LYS A 14 -8.665 1.404 15.589 1.00 0.00 C ATOM 216 O LYS A 14 -9.504 0.922 14.832 1.00 0.00 O ATOM 217 CB LYS A 14 -6.427 1.100 14.475 1.00 0.00 C ATOM 218 CG LYS A 14 -6.120 1.158 12.978 1.00 0.00 C ATOM 219 CD LYS A 14 -7.136 0.561 12.004 1.00 0.00 C ATOM 220 CE LYS A 14 -6.711 0.844 10.549 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.341 0.378 10.214 1.00 0.00 N ATOM 0 H LYS A 14 -7.827 3.710 16.204 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.712 2.681 14.087 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.496 1.245 15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.785 0.099 14.715 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.977 2.204 12.709 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.167 0.654 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.216 -0.514 12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.122 0.985 12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.421 0.364 9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.773 1.917 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.180 0.480 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.644 0.949 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.239 -0.622 10.482 1.00 0.00 H new ATOM 235 N GLY A 15 -8.769 1.368 16.926 1.00 0.00 N ATOM 236 CA GLY A 15 -9.881 0.785 17.663 1.00 0.00 C ATOM 237 C GLY A 15 -11.230 1.335 17.202 1.00 0.00 C ATOM 238 O GLY A 15 -12.114 0.564 16.823 1.00 0.00 O ATOM 0 H GLY A 15 -8.052 1.760 17.537 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.870 -0.298 17.538 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.754 0.984 18.727 1.00 0.00 H new ATOM 242 N ALA A 16 -11.378 2.666 17.220 1.00 0.00 N ATOM 243 CA ALA A 16 -12.591 3.350 16.800 1.00 0.00 C ATOM 244 C ALA A 16 -12.788 3.231 15.289 1.00 0.00 C ATOM 245 O ALA A 16 -13.879 2.907 14.834 1.00 0.00 O ATOM 246 CB ALA A 16 -12.574 4.818 17.209 1.00 0.00 C ATOM 0 H ALA A 16 -10.643 3.300 17.533 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.427 2.865 17.304 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.495 5.298 16.879 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.494 4.893 18.293 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.721 5.315 16.747 1.00 0.00 H new ATOM 252 N SER A 17 -11.746 3.491 14.496 1.00 0.00 N ATOM 253 CA SER A 17 -11.909 3.659 13.050 1.00 0.00 C ATOM 254 C SER A 17 -12.396 2.382 12.349 1.00 0.00 C ATOM 255 O SER A 17 -13.021 2.475 11.295 1.00 0.00 O ATOM 256 CB SER A 17 -10.618 4.195 12.430 1.00 0.00 C ATOM 257 OG SER A 17 -9.564 3.277 12.580 1.00 0.00 O ATOM 0 H SER A 17 -10.786 3.589 14.828 1.00 0.00 H new ATOM 0 HA SER A 17 -12.698 4.395 12.895 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.777 4.400 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.350 5.141 12.901 1.00 0.00 H new ATOM 0 HG SER A 17 -8.751 3.643 12.174 1.00 0.00 H new ATOM 263 N ARG A 18 -12.188 1.209 12.968 1.00 0.00 N ATOM 264 CA ARG A 18 -12.695 -0.072 12.509 1.00 0.00 C ATOM 265 C ARG A 18 -14.105 -0.326 13.027 1.00 0.00 C ATOM 266 O ARG A 18 -14.881 -0.878 12.258 1.00 0.00 O ATOM 267 CB ARG A 18 -11.731 -1.233 12.821 1.00 0.00 C ATOM 268 CG ARG A 18 -11.490 -1.541 14.304 1.00 0.00 C ATOM 269 CD ARG A 18 -12.612 -2.327 15.006 1.00 0.00 C ATOM 270 NE ARG A 18 -12.176 -3.657 15.449 1.00 0.00 N ATOM 271 CZ ARG A 18 -11.320 -3.891 16.457 1.00 0.00 C ATOM 272 NH1 ARG A 18 -10.796 -2.892 17.174 1.00 0.00 N ATOM 273 NH2 ARG A 18 -10.960 -5.133 16.765 1.00 0.00 N ATOM 0 H ARG A 18 -11.644 1.135 13.828 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.757 -0.024 11.422 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.116 -2.134 12.343 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.769 -1.012 12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.562 -2.106 14.394 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.343 -0.600 14.834 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.965 -1.759 15.867 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.457 -2.433 14.326 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.552 -4.465 14.953 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.044 -1.926 16.960 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.148 -3.096 17.935 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.335 -5.919 16.234 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.309 -5.300 17.532 1.00 0.00 H new ATOM 287 N ARG A 19 -14.465 0.043 14.274 1.00 0.00 N ATOM 288 CA ARG A 19 -15.842 -0.187 14.750 1.00 0.00 C ATOM 289 C ARG A 19 -16.828 0.740 14.026 1.00 0.00 C ATOM 290 O ARG A 19 -17.949 0.326 13.732 1.00 0.00 O ATOM 291 CB ARG A 19 -16.000 -0.076 16.283 1.00 0.00 C ATOM 292 CG ARG A 19 -15.518 1.266 16.835 1.00 0.00 C ATOM 293 CD ARG A 19 -15.961 1.665 18.240 1.00 0.00 C ATOM 294 NE ARG A 19 -15.587 0.669 19.255 1.00 0.00 N ATOM 295 CZ ARG A 19 -16.158 0.544 20.463 1.00 0.00 C ATOM 296 NH1 ARG A 19 -17.129 1.378 20.857 1.00 0.00 N ATOM 297 NH2 ARG A 19 -15.751 -0.431 21.282 1.00 0.00 N ATOM 0 H ARG A 19 -13.843 0.487 14.949 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.077 -1.222 14.504 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.048 -0.216 16.546 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.441 -0.881 16.760 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.428 1.262 16.817 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -15.845 2.046 16.148 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.516 2.626 18.498 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.042 1.801 18.251 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.834 0.022 19.022 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.445 2.122 20.235 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.552 1.269 21.779 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.013 -1.071 20.986 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.178 -0.535 22.202 1.00 0.00 H new ATOM 311 N LEU A 20 -16.404 1.971 13.705 1.00 0.00 N ATOM 312 CA LEU A 20 -17.240 2.956 13.056 1.00 0.00 C ATOM 313 C LEU A 20 -17.539 2.521 11.630 1.00 0.00 C ATOM 314 O LEU A 20 -18.714 2.359 11.302 1.00 0.00 O ATOM 315 CB LEU A 20 -16.594 4.347 13.125 1.00 0.00 C ATOM 316 CG LEU A 20 -16.942 5.050 14.452 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.821 5.106 15.477 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.259 6.514 14.214 1.00 0.00 C ATOM 0 H LEU A 20 -15.458 2.301 13.897 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.192 3.029 13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.512 4.255 13.030 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.937 4.954 12.287 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.770 4.450 14.829 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.171 5.621 16.372 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.515 4.093 15.737 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.971 5.645 15.058 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.502 6.993 15.163 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.393 7.006 13.771 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.110 6.597 13.537 1.00 0.00 H new ATOM 330 N ARG A 21 -16.507 2.259 10.813 1.00 0.00 N ATOM 331 CA ARG A 21 -16.728 1.697 9.483 1.00 0.00 C ATOM 332 C ARG A 21 -17.417 0.339 9.545 1.00 0.00 C ATOM 333 O ARG A 21 -18.126 -0.002 8.599 1.00 0.00 O ATOM 334 CB ARG A 21 -15.433 1.672 8.650 1.00 0.00 C ATOM 335 CG ARG A 21 -14.383 0.663 9.142 1.00 0.00 C ATOM 336 CD ARG A 21 -14.496 -0.733 8.515 1.00 0.00 C ATOM 337 NE ARG A 21 -13.683 -1.724 9.241 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.389 -2.020 9.025 1.00 0.00 C ATOM 339 NH1 ARG A 21 -11.658 -1.329 8.144 1.00 0.00 N ATOM 340 NH2 ARG A 21 -11.821 -3.023 9.703 1.00 0.00 N ATOM 0 H ARG A 21 -15.529 2.426 11.050 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.416 2.362 8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.685 1.441 7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.992 2.669 8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.390 1.061 8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.468 0.569 10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.539 -1.048 8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.175 -0.691 7.474 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.151 -2.240 9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.080 -0.562 7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.678 -1.569 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.369 -3.557 10.378 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.840 -3.254 9.545 1.00 0.00 H new ATOM 354 N ALA A 22 -17.260 -0.409 10.648 1.00 0.00 N ATOM 355 CA ALA A 22 -17.956 -1.691 10.777 1.00 0.00 C ATOM 356 C ALA A 22 -19.460 -1.537 11.071 1.00 0.00 C ATOM 357 O ALA A 22 -20.194 -2.518 10.955 1.00 0.00 O ATOM 358 CB ALA A 22 -17.282 -2.551 11.840 1.00 0.00 C ATOM 0 H ALA A 22 -16.673 -0.155 11.442 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.885 -2.188 9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.809 -3.501 11.927 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.246 -2.735 11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.309 -2.033 12.798 1.00 0.00 H new ATOM 364 N ALA A 23 -19.926 -0.325 11.408 1.00 0.00 N ATOM 365 CA ALA A 23 -21.316 -0.001 11.712 1.00 0.00 C ATOM 366 C ALA A 23 -21.863 1.127 10.846 1.00 0.00 C ATOM 367 O ALA A 23 -22.903 1.690 11.197 1.00 0.00 O ATOM 368 CB ALA A 23 -21.436 0.413 13.173 1.00 0.00 C ATOM 0 H ALA A 23 -19.313 0.487 11.477 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.900 -0.898 11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.475 0.655 13.399 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.107 -0.407 13.812 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -20.812 1.288 13.356 1.00 0.00 H new ATOM 374 N ASN A 24 -21.184 1.480 9.741 1.00 0.00 N ATOM 375 CA ASN A 24 -21.608 2.542 8.832 1.00 0.00 C ATOM 376 C ASN A 24 -21.572 3.943 9.475 1.00 0.00 C ATOM 377 O ASN A 24 -22.022 4.920 8.874 1.00 0.00 O ATOM 378 CB ASN A 24 -22.975 2.165 8.232 1.00 0.00 C ATOM 379 CG ASN A 24 -22.824 1.507 6.865 1.00 0.00 C ATOM 380 OD1 ASN A 24 -23.092 2.114 5.833 1.00 0.00 O ATOM 381 ND2 ASN A 24 -22.378 0.252 6.856 1.00 0.00 N ATOM 0 H ASN A 24 -20.316 1.026 9.457 1.00 0.00 H new ATOM 0 HA ASN A 24 -20.888 2.621 8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.495 1.486 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -23.592 3.059 8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.249 -0.237 5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -22.166 -0.220 7.735 1.00 0.00 H new ATOM 388 N LYS A 25 -20.995 4.054 10.676 1.00 0.00 N ATOM 389 CA LYS A 25 -20.594 5.300 11.293 1.00 0.00 C ATOM 390 C LYS A 25 -19.231 5.708 10.721 1.00 0.00 C ATOM 391 O LYS A 25 -18.630 4.986 9.922 1.00 0.00 O ATOM 392 CB LYS A 25 -20.595 5.109 12.819 1.00 0.00 C ATOM 393 CG LYS A 25 -22.035 4.902 13.314 1.00 0.00 C ATOM 394 CD LYS A 25 -22.229 5.267 14.791 1.00 0.00 C ATOM 395 CE LYS A 25 -23.611 5.877 15.054 1.00 0.00 C ATOM 396 NZ LYS A 25 -24.725 5.042 14.555 1.00 0.00 N ATOM 0 H LYS A 25 -20.792 3.242 11.258 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.286 6.114 11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.981 4.250 13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.155 5.980 13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.710 5.505 12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.316 3.860 13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.104 4.375 15.405 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.457 5.974 15.094 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.734 6.031 16.126 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.663 6.858 14.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.548 5.151 15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -24.980 5.343 13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.431 4.044 14.539 1.00 0.00 H new ATOM 410 N PHE A 26 -18.741 6.882 11.117 1.00 0.00 N ATOM 411 CA PHE A 26 -17.420 7.377 10.762 1.00 0.00 C ATOM 412 C PHE A 26 -17.064 8.466 11.798 1.00 0.00 C ATOM 413 O PHE A 26 -17.963 9.045 12.425 1.00 0.00 O ATOM 414 CB PHE A 26 -17.392 7.896 9.306 1.00 0.00 C ATOM 415 CG PHE A 26 -17.844 9.329 9.204 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.115 9.667 9.697 1.00 0.00 C ATOM 417 CD2 PHE A 26 -16.929 10.338 8.853 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.413 10.997 9.984 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.261 11.678 9.101 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.468 11.998 9.730 1.00 0.00 C ATOM 0 H PHE A 26 -19.267 7.527 11.707 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.673 6.584 10.793 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.381 7.807 8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.034 7.269 8.686 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -19.858 8.899 9.853 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.983 10.084 8.398 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.374 11.256 10.403 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.583 12.465 8.805 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.671 13.018 10.020 1.00 0.00 H new ATOM 430 N PRO A 27 -15.771 8.711 12.052 1.00 0.00 N ATOM 431 CA PRO A 27 -15.358 9.606 13.126 1.00 0.00 C ATOM 432 C PRO A 27 -15.517 11.087 12.773 1.00 0.00 C ATOM 433 O PRO A 27 -15.550 11.461 11.602 1.00 0.00 O ATOM 434 CB PRO A 27 -13.898 9.246 13.386 1.00 0.00 C ATOM 435 CG PRO A 27 -13.411 8.625 12.085 1.00 0.00 C ATOM 436 CD PRO A 27 -14.653 7.896 11.600 1.00 0.00 C ATOM 0 HA PRO A 27 -15.987 9.476 14.006 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.314 10.129 13.646 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.805 8.547 14.217 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.076 9.379 11.373 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.575 7.945 12.245 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.652 7.795 10.515 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.706 6.889 12.014 1.00 0.00 H new ATOM 444 N ALA A 28 -15.545 11.931 13.812 1.00 0.00 N ATOM 445 CA ALA A 28 -15.384 13.376 13.706 1.00 0.00 C ATOM 446 C ALA A 28 -14.598 13.931 14.899 1.00 0.00 C ATOM 447 O ALA A 28 -14.191 13.179 15.794 1.00 0.00 O ATOM 448 CB ALA A 28 -16.754 14.049 13.572 1.00 0.00 C ATOM 0 H ALA A 28 -15.684 11.614 14.771 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.806 13.599 12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.623 15.128 13.493 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.256 13.678 12.678 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.359 13.820 14.449 1.00 0.00 H new ATOM 454 N ILE A 29 -14.423 15.262 14.916 1.00 0.00 N ATOM 455 CA ILE A 29 -13.787 16.003 16.013 1.00 0.00 C ATOM 456 C ILE A 29 -14.509 17.328 16.243 1.00 0.00 C ATOM 457 O ILE A 29 -15.171 17.848 15.349 1.00 0.00 O ATOM 458 CB ILE A 29 -12.285 16.189 15.710 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.393 16.813 16.796 1.00 0.00 C ATOM 460 CG2 ILE A 29 -12.067 17.044 14.467 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.287 16.011 18.083 1.00 0.00 C ATOM 0 H ILE A 29 -14.727 15.864 14.151 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.865 15.436 16.941 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.978 15.149 15.603 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.392 16.949 16.388 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.778 17.805 17.035 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.998 17.154 14.284 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.535 16.563 13.608 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.512 18.027 14.619 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.637 16.533 18.785 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.278 15.896 18.523 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.870 15.028 17.866 1.00 0.00 H new ATOM 473 N ILE A 30 -14.338 17.877 17.446 1.00 0.00 N ATOM 474 CA ILE A 30 -14.949 19.119 17.918 1.00 0.00 C ATOM 475 C ILE A 30 -13.817 19.967 18.498 1.00 0.00 C ATOM 476 O ILE A 30 -13.447 19.783 19.656 1.00 0.00 O ATOM 477 CB ILE A 30 -16.119 18.843 18.912 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.314 18.293 18.105 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.489 20.099 19.720 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.575 17.861 18.875 1.00 0.00 C ATOM 0 H ILE A 30 -13.741 17.446 18.152 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.426 19.670 17.107 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.811 18.103 19.650 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.609 19.056 17.385 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.963 17.434 17.533 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.308 19.866 20.401 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.624 20.431 20.294 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.798 20.892 19.039 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.324 17.498 18.172 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.319 17.066 19.575 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.976 18.713 19.424 1.00 0.00 H new ATOM 492 N TYR A 31 -13.238 20.849 17.672 1.00 0.00 N ATOM 493 CA TYR A 31 -11.983 21.535 17.952 1.00 0.00 C ATOM 494 C TYR A 31 -12.114 23.057 18.058 1.00 0.00 C ATOM 495 O TYR A 31 -13.211 23.582 18.223 1.00 0.00 O ATOM 496 CB TYR A 31 -10.875 21.016 17.020 1.00 0.00 C ATOM 497 CG TYR A 31 -10.889 21.259 15.515 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.050 22.541 14.955 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.538 20.191 14.667 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.930 22.735 13.567 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.377 20.381 13.286 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.587 21.658 12.724 1.00 0.00 C ATOM 503 OH TYR A 31 -10.467 21.852 11.380 1.00 0.00 O ATOM 0 H TYR A 31 -13.643 21.107 16.772 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.669 21.277 18.963 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.936 21.426 17.393 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.830 19.936 17.161 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.267 23.382 15.597 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.390 19.207 15.087 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.101 23.714 13.145 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.093 19.552 12.655 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.581 20.997 10.915 1.00 0.00 H new ATOM 574 N PRO A 37 -9.633 19.462 22.019 1.00 0.00 N ATOM 575 CA PRO A 37 -10.873 19.055 21.340 1.00 0.00 C ATOM 576 C PRO A 37 -11.665 17.897 21.956 1.00 0.00 C ATOM 577 O PRO A 37 -11.440 17.507 23.101 1.00 0.00 O ATOM 578 CB PRO A 37 -10.434 18.666 19.931 1.00 0.00 C ATOM 579 CG PRO A 37 -9.228 19.540 19.722 1.00 0.00 C ATOM 580 CD PRO A 37 -8.545 19.333 21.058 1.00 0.00 C ATOM 0 HA PRO A 37 -11.571 19.890 21.408 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.187 17.607 19.859 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.212 18.862 19.193 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.614 19.216 18.882 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.491 20.582 19.541 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.070 18.354 21.119 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.767 20.076 21.230 1.00 0.00 H new ATOM 588 N LEU A 38 -12.623 17.364 21.174 1.00 0.00 N ATOM 589 CA LEU A 38 -13.522 16.296 21.591 1.00 0.00 C ATOM 590 C LEU A 38 -13.927 15.457 20.377 1.00 0.00 C ATOM 591 O LEU A 38 -14.759 15.869 19.574 1.00 0.00 O ATOM 592 CB LEU A 38 -14.748 16.905 22.281 1.00 0.00 C ATOM 593 CG LEU A 38 -15.680 15.827 22.872 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.378 15.694 24.363 1.00 0.00 C ATOM 595 CD2 LEU A 38 -17.139 16.225 22.651 1.00 0.00 C ATOM 0 H LEU A 38 -12.789 17.677 20.217 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.018 15.640 22.300 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.420 17.575 23.076 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.303 17.509 21.564 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.512 14.869 22.379 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.028 14.935 24.800 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.337 15.402 24.499 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.554 16.650 24.856 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.792 15.460 23.070 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.335 17.178 23.142 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.332 16.321 21.583 1.00 0.00 H new ATOM 607 N ALA A 39 -13.327 14.276 20.232 1.00 0.00 N ATOM 608 CA ALA A 39 -13.698 13.320 19.201 1.00 0.00 C ATOM 609 C ALA A 39 -15.051 12.685 19.539 1.00 0.00 C ATOM 610 O ALA A 39 -15.269 12.299 20.689 1.00 0.00 O ATOM 611 CB ALA A 39 -12.596 12.270 19.116 1.00 0.00 C ATOM 0 H ALA A 39 -12.566 13.958 20.832 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.803 13.813 18.235 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.849 11.538 18.349 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.653 12.753 18.861 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.497 11.767 20.078 1.00 0.00 H new ATOM 617 N ILE A 40 -15.949 12.553 18.550 1.00 0.00 N ATOM 618 CA ILE A 40 -17.262 11.965 18.691 1.00 0.00 C ATOM 619 C ILE A 40 -17.455 10.980 17.526 1.00 0.00 C ATOM 620 O ILE A 40 -17.028 11.228 16.396 1.00 0.00 O ATOM 621 CB ILE A 40 -18.339 13.074 18.721 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.518 13.896 17.426 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.186 13.972 19.959 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.401 14.883 17.107 1.00 0.00 C ATOM 0 H ILE A 40 -15.759 12.870 17.599 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.359 11.421 19.631 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.277 12.523 18.793 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.616 13.204 16.589 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.456 14.447 17.495 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.959 14.741 19.949 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.287 13.368 20.861 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.204 14.445 19.946 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.631 15.404 16.178 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.313 15.607 17.917 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.460 14.344 16.998 1.00 0.00 H new ATOM 636 N GLU A 41 -18.086 9.849 17.829 1.00 0.00 N ATOM 637 CA GLU A 41 -18.558 8.823 16.917 1.00 0.00 C ATOM 638 C GLU A 41 -19.984 9.172 16.488 1.00 0.00 C ATOM 639 O GLU A 41 -20.868 9.234 17.340 1.00 0.00 O ATOM 640 CB GLU A 41 -18.454 7.461 17.644 1.00 0.00 C ATOM 641 CG GLU A 41 -19.364 6.339 17.100 1.00 0.00 C ATOM 642 CD GLU A 41 -18.914 4.908 17.443 1.00 0.00 C ATOM 643 OE1 GLU A 41 -17.977 4.734 18.256 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.510 3.986 16.842 1.00 0.00 O ATOM 0 H GLU A 41 -18.295 9.612 18.799 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.958 8.762 16.009 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.420 7.121 17.593 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.688 7.614 18.698 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.371 6.489 17.489 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.423 6.434 16.016 1.00 0.00 H new ATOM 651 N LEU A 42 -20.212 9.408 15.186 1.00 0.00 N ATOM 652 CA LEU A 42 -21.539 9.725 14.655 1.00 0.00 C ATOM 653 C LEU A 42 -21.829 8.932 13.385 1.00 0.00 C ATOM 654 O LEU A 42 -20.936 8.329 12.788 1.00 0.00 O ATOM 655 CB LEU A 42 -21.737 11.239 14.428 1.00 0.00 C ATOM 656 CG LEU A 42 -21.017 11.836 13.200 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.613 13.192 12.847 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.521 12.050 13.424 1.00 0.00 C ATOM 0 H LEU A 42 -19.480 9.383 14.476 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.262 9.425 15.414 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.805 11.436 14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.396 11.768 15.318 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.154 11.110 12.399 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.096 13.602 11.979 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.672 13.075 12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.498 13.871 13.692 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.075 12.472 12.523 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.372 12.736 14.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.047 11.095 13.651 1.00 0.00 H new ATOM 670 N ASP A 43 -23.097 8.967 12.963 1.00 0.00 N ATOM 671 CA ASP A 43 -23.540 8.289 11.759 1.00 0.00 C ATOM 672 C ASP A 43 -23.085 9.053 10.523 1.00 0.00 C ATOM 673 O ASP A 43 -23.273 10.271 10.437 1.00 0.00 O ATOM 674 CB ASP A 43 -25.059 8.102 11.757 1.00 0.00 C ATOM 675 CG ASP A 43 -25.396 6.756 11.130 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.516 6.733 9.885 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.477 5.779 11.909 1.00 0.00 O ATOM 0 H ASP A 43 -23.838 9.468 13.452 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.086 7.298 11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.445 8.149 12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.536 8.907 11.198 1.00 0.00 H new ATOM 682 N HIS A 44 -22.513 8.323 9.558 1.00 0.00 N ATOM 683 CA HIS A 44 -22.129 8.891 8.279 1.00 0.00 C ATOM 684 C HIS A 44 -23.376 9.306 7.516 1.00 0.00 C ATOM 685 O HIS A 44 -23.407 10.417 7.000 1.00 0.00 O ATOM 686 CB HIS A 44 -21.312 7.874 7.469 1.00 0.00 C ATOM 687 CG HIS A 44 -20.730 8.412 6.179 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.242 9.441 5.420 1.00 0.00 N ATOM 689 CD2 HIS A 44 -19.633 7.926 5.516 1.00 0.00 C ATOM 690 CE1 HIS A 44 -20.479 9.566 4.328 1.00 0.00 C ATOM 691 NE2 HIS A 44 -19.488 8.662 4.334 1.00 0.00 N ATOM 0 H HIS A 44 -22.308 7.328 9.650 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.506 9.770 8.446 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.498 7.504 8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -21.949 7.020 7.236 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -22.058 10.008 5.650 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -18.995 7.120 5.846 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -20.639 10.295 3.548 1.00 0.00 H new ATOM 699 N ASP A 45 -24.381 8.432 7.398 1.00 0.00 N ATOM 700 CA ASP A 45 -25.509 8.688 6.514 1.00 0.00 C ATOM 701 C ASP A 45 -26.417 9.796 7.058 1.00 0.00 C ATOM 702 O ASP A 45 -27.010 10.545 6.276 1.00 0.00 O ATOM 703 CB ASP A 45 -26.271 7.386 6.292 1.00 0.00 C ATOM 704 CG ASP A 45 -26.931 7.385 4.911 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.165 7.365 3.917 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.180 7.408 4.867 1.00 0.00 O ATOM 0 H ASP A 45 -24.431 7.547 7.903 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.136 9.048 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -25.590 6.539 6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.030 7.264 7.065 1.00 0.00 H new ATOM 711 N LYS A 46 -26.437 9.961 8.393 1.00 0.00 N ATOM 712 CA LYS A 46 -26.909 11.186 9.028 1.00 0.00 C ATOM 713 C LYS A 46 -26.075 12.345 8.494 1.00 0.00 C ATOM 714 O LYS A 46 -26.587 13.069 7.646 1.00 0.00 O ATOM 715 CB LYS A 46 -26.874 11.099 10.565 1.00 0.00 C ATOM 716 CG LYS A 46 -27.453 12.354 11.221 1.00 0.00 C ATOM 717 CD LYS A 46 -27.188 12.429 12.730 1.00 0.00 C ATOM 718 CE LYS A 46 -27.834 11.331 13.572 1.00 0.00 C ATOM 719 NZ LYS A 46 -29.310 11.382 13.516 1.00 0.00 N ATOM 0 H LYS A 46 -26.126 9.247 9.052 1.00 0.00 H new ATOM 0 HA LYS A 46 -27.958 11.346 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.438 10.225 10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -25.846 10.957 10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.028 13.235 10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.529 12.383 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.111 12.400 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.539 13.394 13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.492 10.357 13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.507 11.429 14.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.706 10.630 14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -29.639 12.307 13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -29.625 11.245 12.534 1.00 0.00 H new ATOM 733 N VAL A 47 -24.828 12.546 8.965 1.00 0.00 N ATOM 734 CA VAL A 47 -24.092 13.777 8.702 1.00 0.00 C ATOM 735 C VAL A 47 -23.944 14.090 7.210 1.00 0.00 C ATOM 736 O VAL A 47 -23.835 15.247 6.839 1.00 0.00 O ATOM 737 CB VAL A 47 -22.745 13.755 9.413 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.718 12.940 8.663 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.194 15.171 9.608 1.00 0.00 C ATOM 0 H VAL A 47 -24.318 11.866 9.528 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.687 14.594 9.110 1.00 0.00 H new ATOM 0 HB VAL A 47 -22.925 13.292 10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -20.774 12.954 9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.068 11.912 8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.570 13.366 7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.232 15.120 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.065 15.648 8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.893 15.754 10.208 1.00 0.00 H new ATOM 749 N MET A 48 -23.980 13.064 6.364 1.00 0.00 N ATOM 750 CA MET A 48 -24.105 13.148 4.920 1.00 0.00 C ATOM 751 C MET A 48 -25.223 14.121 4.566 1.00 0.00 C ATOM 752 O MET A 48 -24.945 15.177 4.023 1.00 0.00 O ATOM 753 CB MET A 48 -24.319 11.761 4.296 1.00 0.00 C ATOM 754 CG MET A 48 -24.467 11.791 2.770 1.00 0.00 C ATOM 755 SD MET A 48 -22.970 11.365 1.835 1.00 0.00 S ATOM 756 CE MET A 48 -22.037 12.914 1.906 1.00 0.00 C ATOM 0 H MET A 48 -23.919 12.100 6.691 1.00 0.00 H new ATOM 0 HA MET A 48 -23.175 13.529 4.499 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.478 11.120 4.559 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.211 11.310 4.730 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.262 11.101 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.789 12.789 2.473 1.00 0.00 H new ATOM 0 HE1 MET A 48 -20.988 12.718 1.684 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.438 13.614 1.173 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.122 13.345 2.904 1.00 0.00 H new ATOM 766 N ASN A 49 -26.470 13.820 4.925 1.00 0.00 N ATOM 767 CA ASN A 49 -27.602 14.725 4.734 1.00 0.00 C ATOM 768 C ASN A 49 -27.474 16.069 5.449 1.00 0.00 C ATOM 769 O ASN A 49 -28.168 17.013 5.076 1.00 0.00 O ATOM 770 CB ASN A 49 -28.825 13.989 5.276 1.00 0.00 C ATOM 771 CG ASN A 49 -30.143 14.721 5.101 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.519 15.109 3.999 1.00 0.00 O ATOM 773 ND2 ASN A 49 -30.878 14.864 6.199 1.00 0.00 N ATOM 0 H ASN A 49 -26.725 12.934 5.360 1.00 0.00 H new ATOM 0 HA ASN A 49 -27.666 14.971 3.674 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -28.896 13.020 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.673 13.795 6.338 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -31.793 15.311 6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.527 14.527 7.095 1.00 0.00 H new ATOM 780 N MET A 50 -26.606 16.180 6.458 1.00 0.00 N ATOM 781 CA MET A 50 -26.469 17.368 7.241 1.00 0.00 C ATOM 782 C MET A 50 -25.474 18.282 6.500 1.00 0.00 C ATOM 783 O MET A 50 -25.905 19.280 5.934 1.00 0.00 O ATOM 784 CB MET A 50 -26.069 16.928 8.654 1.00 0.00 C ATOM 785 CG MET A 50 -26.901 15.820 9.276 1.00 0.00 C ATOM 786 SD MET A 50 -28.633 16.146 9.665 1.00 0.00 S ATOM 787 CE MET A 50 -28.531 15.926 11.456 1.00 0.00 C ATOM 0 H MET A 50 -25.980 15.427 6.742 1.00 0.00 H new ATOM 0 HA MET A 50 -27.378 17.957 7.361 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.029 16.602 8.629 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.114 17.798 9.309 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.870 14.965 8.600 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.407 15.515 10.199 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.455 15.476 11.821 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.691 15.274 11.695 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.386 16.895 11.934 1.00 0.00 H new ATOM 797 N GLN A 51 -24.174 17.932 6.419 1.00 0.00 N ATOM 798 CA GLN A 51 -23.137 18.703 5.711 1.00 0.00 C ATOM 799 C GLN A 51 -23.370 18.861 4.211 1.00 0.00 C ATOM 800 O GLN A 51 -22.664 19.627 3.554 1.00 0.00 O ATOM 801 CB GLN A 51 -21.702 18.217 6.022 1.00 0.00 C ATOM 802 CG GLN A 51 -21.196 16.876 5.511 1.00 0.00 C ATOM 803 CD GLN A 51 -21.372 16.710 4.026 1.00 0.00 C ATOM 804 OE1 GLN A 51 -20.632 17.286 3.241 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.372 15.935 3.642 1.00 0.00 N ATOM 0 H GLN A 51 -23.810 17.085 6.855 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.235 19.707 6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.019 18.979 5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.599 18.204 7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.140 16.773 5.760 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -21.725 16.074 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -22.959 15.478 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.556 15.795 2.649 1.00 0.00 H new ATOM 814 N ALA A 52 -24.368 18.155 3.679 1.00 0.00 N ATOM 815 CA ALA A 52 -24.827 18.271 2.320 1.00 0.00 C ATOM 816 C ALA A 52 -25.274 19.689 1.975 1.00 0.00 C ATOM 817 O ALA A 52 -25.292 20.018 0.789 1.00 0.00 O ATOM 818 CB ALA A 52 -25.996 17.311 2.149 1.00 0.00 C ATOM 0 H ALA A 52 -24.891 17.463 4.215 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.004 18.029 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.371 17.372 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.664 16.293 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.792 17.579 2.844 1.00 0.00 H new ATOM 824 N LYS A 53 -25.641 20.512 2.974 1.00 0.00 N ATOM 825 CA LYS A 53 -26.312 21.781 2.682 1.00 0.00 C ATOM 826 C LYS A 53 -25.627 22.965 3.344 1.00 0.00 C ATOM 827 O LYS A 53 -24.942 22.827 4.356 1.00 0.00 O ATOM 828 CB LYS A 53 -27.830 21.655 2.902 1.00 0.00 C ATOM 829 CG LYS A 53 -28.274 20.757 4.068 1.00 0.00 C ATOM 830 CD LYS A 53 -28.057 21.332 5.448 1.00 0.00 C ATOM 831 CE LYS A 53 -28.910 22.575 5.677 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.350 22.360 5.433 1.00 0.00 N ATOM 0 H LYS A 53 -25.487 20.324 3.965 1.00 0.00 H new ATOM 0 HA LYS A 53 -26.206 22.011 1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.237 22.653 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -28.279 21.273 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -29.334 20.533 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -27.739 19.810 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.300 20.580 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -27.004 21.583 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -28.771 22.916 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -28.555 23.373 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -30.876 23.225 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -30.502 22.129 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -30.689 21.574 6.024 1.00 0.00 H new ATOM 846 N ALA A 54 -25.790 24.133 2.714 1.00 0.00 N ATOM 847 CA ALA A 54 -25.000 25.321 3.002 1.00 0.00 C ATOM 848 C ALA A 54 -25.244 25.800 4.428 1.00 0.00 C ATOM 849 O ALA A 54 -24.336 26.301 5.081 1.00 0.00 O ATOM 850 CB ALA A 54 -25.343 26.423 1.997 1.00 0.00 C ATOM 0 H ALA A 54 -26.485 24.275 1.981 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.943 25.072 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.750 27.311 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -25.121 26.077 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.403 26.667 2.072 1.00 0.00 H new ATOM 856 N GLU A 55 -26.473 25.606 4.910 1.00 0.00 N ATOM 857 CA GLU A 55 -26.916 26.011 6.218 1.00 0.00 C ATOM 858 C GLU A 55 -26.188 25.195 7.295 1.00 0.00 C ATOM 859 O GLU A 55 -25.783 25.767 8.293 1.00 0.00 O ATOM 860 CB GLU A 55 -28.445 25.901 6.342 1.00 0.00 C ATOM 861 CG GLU A 55 -29.254 26.254 5.082 1.00 0.00 C ATOM 862 CD GLU A 55 -30.759 26.132 5.333 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.204 24.980 5.544 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.443 27.176 5.296 1.00 0.00 O ATOM 0 H GLU A 55 -27.204 25.144 4.369 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.664 27.061 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.693 24.880 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.771 26.553 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -29.017 27.271 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.965 25.593 4.265 1.00 0.00 H new ATOM 871 N PHE A 56 -25.931 23.891 7.105 1.00 0.00 N ATOM 872 CA PHE A 56 -25.158 23.107 8.064 1.00 0.00 C ATOM 873 C PHE A 56 -23.791 23.719 8.294 1.00 0.00 C ATOM 874 O PHE A 56 -23.348 23.803 9.437 1.00 0.00 O ATOM 875 CB PHE A 56 -24.981 21.680 7.547 1.00 0.00 C ATOM 876 CG PHE A 56 -24.012 20.769 8.288 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.611 20.861 8.136 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.542 19.718 9.043 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.776 19.878 8.699 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.710 18.714 9.567 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.329 18.790 9.389 1.00 0.00 C ATOM 0 H PHE A 56 -26.250 23.363 6.293 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.704 23.099 9.007 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.960 21.200 7.549 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -24.657 21.739 6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -22.180 21.686 7.588 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.606 19.677 9.226 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.704 19.962 8.599 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -24.140 17.884 10.107 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.688 18.014 9.781 1.00 0.00 H new ATOM 891 N TYR A 57 -23.117 24.094 7.203 1.00 0.00 N ATOM 892 CA TYR A 57 -21.760 24.612 7.358 1.00 0.00 C ATOM 893 C TYR A 57 -21.756 26.050 7.888 1.00 0.00 C ATOM 894 O TYR A 57 -20.860 26.424 8.644 1.00 0.00 O ATOM 895 CB TYR A 57 -20.938 24.463 6.064 1.00 0.00 C ATOM 896 CG TYR A 57 -20.612 25.738 5.298 1.00 0.00 C ATOM 897 CD1 TYR A 57 -19.567 26.578 5.732 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.352 26.086 4.155 1.00 0.00 C ATOM 899 CE1 TYR A 57 -19.292 27.779 5.055 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.088 27.285 3.470 1.00 0.00 C ATOM 901 CZ TYR A 57 -20.059 28.141 3.922 1.00 0.00 C ATOM 902 OH TYR A 57 -19.805 29.306 3.258 1.00 0.00 O ATOM 0 H TYR A 57 -23.469 24.052 6.247 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.266 24.000 8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.999 23.970 6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -21.480 23.795 5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -18.974 26.297 6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -22.130 25.427 3.800 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -18.497 28.424 5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.670 27.551 2.600 1.00 0.00 H new ATOM 0 HH TYR A 57 -20.425 29.395 2.505 1.00 0.00 H new ATOM 912 N SER A 58 -22.748 26.846 7.476 1.00 0.00 N ATOM 913 CA SER A 58 -22.813 28.276 7.745 1.00 0.00 C ATOM 914 C SER A 58 -23.438 28.563 9.112 1.00 0.00 C ATOM 915 O SER A 58 -23.298 29.679 9.614 1.00 0.00 O ATOM 916 CB SER A 58 -23.618 28.955 6.629 1.00 0.00 C ATOM 917 OG SER A 58 -23.557 30.361 6.749 1.00 0.00 O ATOM 0 H SER A 58 -23.542 26.502 6.936 1.00 0.00 H new ATOM 0 HA SER A 58 -21.800 28.677 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.228 28.651 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.656 28.627 6.673 1.00 0.00 H new ATOM 0 HG SER A 58 -23.393 30.603 7.684 1.00 0.00 H new ATOM 923 N GLU A 59 -24.121 27.577 9.707 1.00 0.00 N ATOM 924 CA GLU A 59 -24.841 27.694 10.955 1.00 0.00 C ATOM 925 C GLU A 59 -24.263 26.652 11.915 1.00 0.00 C ATOM 926 O GLU A 59 -23.446 25.808 11.543 1.00 0.00 O ATOM 927 CB GLU A 59 -26.350 27.467 10.718 1.00 0.00 C ATOM 928 CG GLU A 59 -26.970 28.160 9.478 1.00 0.00 C ATOM 929 CD GLU A 59 -27.901 29.306 9.870 1.00 0.00 C ATOM 930 OE1 GLU A 59 -27.372 30.412 10.114 1.00 0.00 O ATOM 931 OE2 GLU A 59 -29.125 29.054 9.939 1.00 0.00 O ATOM 0 H GLU A 59 -24.182 26.642 9.305 1.00 0.00 H new ATOM 0 HA GLU A 59 -24.730 28.691 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -26.524 26.394 10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -26.889 27.806 11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.173 28.542 8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.524 27.427 8.892 1.00 0.00 H new ATOM 938 N VAL A 60 -24.689 26.712 13.171 1.00 0.00 N ATOM 939 CA VAL A 60 -24.305 25.755 14.192 1.00 0.00 C ATOM 940 C VAL A 60 -25.200 24.512 14.151 1.00 0.00 C ATOM 941 O VAL A 60 -26.372 24.581 13.775 1.00 0.00 O ATOM 942 CB VAL A 60 -24.290 26.504 15.541 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.643 27.131 15.924 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.828 25.618 16.682 1.00 0.00 C ATOM 0 H VAL A 60 -25.320 27.438 13.510 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.305 25.357 14.020 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.577 27.313 15.386 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.550 27.639 16.884 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.940 27.850 15.160 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.398 26.349 15.999 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.834 26.188 17.611 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.500 24.765 16.776 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.817 25.263 16.481 1.00 0.00 H new ATOM 954 N LEU A 61 -24.633 23.374 14.574 1.00 0.00 N ATOM 955 CA LEU A 61 -25.289 22.092 14.733 1.00 0.00 C ATOM 956 C LEU A 61 -25.197 21.690 16.213 1.00 0.00 C ATOM 957 O LEU A 61 -24.274 22.129 16.901 1.00 0.00 O ATOM 958 CB LEU A 61 -24.536 21.058 13.890 1.00 0.00 C ATOM 959 CG LEU A 61 -24.096 21.468 12.463 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.121 20.423 11.948 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.205 21.610 11.414 1.00 0.00 C ATOM 0 H LEU A 61 -23.646 23.333 14.826 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.331 22.146 14.418 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.644 20.761 14.443 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.167 20.173 13.804 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.672 22.465 12.581 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.797 20.692 10.942 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.255 20.377 12.608 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.611 19.449 11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.767 21.900 10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.723 20.658 11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.914 22.373 11.735 1.00 0.00 H new ATOM 973 N THR A 62 -26.091 20.812 16.693 1.00 0.00 N ATOM 974 CA THR A 62 -26.085 20.360 18.082 1.00 0.00 C ATOM 975 C THR A 62 -25.699 18.883 18.117 1.00 0.00 C ATOM 976 O THR A 62 -26.475 18.026 17.719 1.00 0.00 O ATOM 977 CB THR A 62 -27.443 20.609 18.752 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.926 21.910 18.491 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.332 20.426 20.264 1.00 0.00 C ATOM 0 H THR A 62 -26.833 20.400 16.127 1.00 0.00 H new ATOM 0 HA THR A 62 -25.351 20.932 18.649 1.00 0.00 H new ATOM 0 HB THR A 62 -28.141 19.884 18.334 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.793 22.032 18.932 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.303 20.606 20.725 1.00 0.00 H new ATOM 0 HG22 THR A 62 -27.009 19.409 20.485 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.604 21.132 20.664 1.00 0.00 H new ATOM 987 N ILE A 63 -24.485 18.576 18.557 1.00 0.00 N ATOM 988 CA ILE A 63 -23.950 17.233 18.656 1.00 0.00 C ATOM 989 C ILE A 63 -24.396 16.648 19.984 1.00 0.00 C ATOM 990 O ILE A 63 -23.882 17.022 21.033 1.00 0.00 O ATOM 991 CB ILE A 63 -22.410 17.221 18.556 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.842 18.248 17.568 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.917 15.798 18.284 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.200 18.055 16.107 1.00 0.00 C ATOM 0 H ILE A 63 -23.823 19.288 18.866 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.325 16.635 17.825 1.00 0.00 H new ATOM 0 HB ILE A 63 -22.020 17.543 19.522 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -22.180 19.238 17.874 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.756 18.241 17.656 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.829 15.797 18.215 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.229 15.143 19.097 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.341 15.439 17.346 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.739 18.844 15.512 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -21.836 17.085 15.768 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.283 18.098 15.989 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.371 15.749 19.938 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.954 15.157 21.125 1.00 0.00 C ATOM 1008 C VAL A 64 -25.147 13.900 21.431 1.00 0.00 C ATOM 1009 O VAL A 64 -25.515 12.808 21.002 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.460 14.959 20.916 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -28.162 14.340 22.119 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -28.114 16.321 20.684 1.00 0.00 C ATOM 0 H VAL A 64 -25.779 15.411 19.067 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.895 15.794 22.007 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.563 14.284 20.066 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.224 14.228 21.903 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.730 13.362 22.329 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -28.035 14.987 22.987 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.186 16.189 20.534 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.944 16.959 21.552 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.679 16.788 19.800 1.00 0.00 H new ATOM 1022 N VAL A 65 -24.006 14.080 22.111 1.00 0.00 N ATOM 1023 CA VAL A 65 -23.092 13.020 22.483 1.00 0.00 C ATOM 1024 C VAL A 65 -23.741 12.261 23.630 1.00 0.00 C ATOM 1025 O VAL A 65 -23.744 12.747 24.754 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.672 13.556 22.791 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.179 14.438 21.647 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.499 14.378 24.070 1.00 0.00 C ATOM 0 H VAL A 65 -23.695 15.000 22.421 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.924 12.331 21.655 1.00 0.00 H new ATOM 0 HB VAL A 65 -21.098 12.639 22.925 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.180 14.808 21.877 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.147 13.856 20.726 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.857 15.282 21.519 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.459 14.690 24.164 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -22.140 15.259 24.026 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.775 13.771 24.933 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.358 11.107 23.356 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.961 10.274 24.398 1.00 0.00 C ATOM 1040 C ASP A 66 -26.006 11.057 25.229 1.00 0.00 C ATOM 1041 O ASP A 66 -26.179 10.814 26.423 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.806 9.655 25.214 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.260 8.631 26.254 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -24.953 7.670 25.861 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.890 8.836 27.436 1.00 0.00 O ATOM 0 H ASP A 66 -24.452 10.728 22.414 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.547 9.460 23.971 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -23.106 9.176 24.529 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.262 10.454 25.718 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.675 12.044 24.605 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.693 12.877 25.244 1.00 0.00 C ATOM 1052 C GLY A 67 -27.195 14.254 25.706 1.00 0.00 C ATOM 1053 O GLY A 67 -27.999 15.033 26.213 1.00 0.00 O ATOM 0 H GLY A 67 -26.516 12.284 23.626 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.518 13.019 24.546 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -28.093 12.342 26.105 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.902 14.568 25.541 1.00 0.00 N ATOM 1058 CA LYS A 68 -25.287 15.829 25.956 1.00 0.00 C ATOM 1059 C LYS A 68 -25.097 16.700 24.729 1.00 0.00 C ATOM 1060 O LYS A 68 -24.491 16.255 23.767 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.946 15.535 26.636 1.00 0.00 C ATOM 1062 CG LYS A 68 -24.184 14.981 28.045 1.00 0.00 C ATOM 1063 CD LYS A 68 -23.272 13.824 28.486 1.00 0.00 C ATOM 1064 CE LYS A 68 -23.793 12.488 27.935 1.00 0.00 C ATOM 1065 NZ LYS A 68 -23.133 11.317 28.543 1.00 0.00 N ATOM 0 H LYS A 68 -25.239 13.930 25.102 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.923 16.355 26.668 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.379 14.816 26.045 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -23.349 16.445 26.690 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -24.069 15.798 28.758 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -25.219 14.645 28.110 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.256 13.999 28.132 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -23.228 13.783 29.574 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -24.867 12.424 28.109 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -23.643 12.463 26.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.525 10.446 28.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.111 11.359 28.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -23.297 11.320 29.570 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.634 17.918 24.746 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.921 18.692 23.545 1.00 0.00 C ATOM 1081 C GLU A 69 -24.836 19.748 23.304 1.00 0.00 C ATOM 1082 O GLU A 69 -24.760 20.719 24.058 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.320 19.305 23.706 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.368 18.252 24.100 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.774 18.699 23.700 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -30.112 18.510 22.510 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.479 19.240 24.580 1.00 0.00 O ATOM 0 H GLU A 69 -25.885 18.400 25.609 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.914 18.054 22.661 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.288 20.087 24.465 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.617 19.780 22.771 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -28.134 17.303 23.618 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.330 18.081 25.176 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.973 19.547 22.292 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.769 20.363 22.098 1.00 0.00 C ATOM 1096 C ILE A 70 -22.950 21.204 20.834 1.00 0.00 C ATOM 1097 O ILE A 70 -23.220 20.665 19.770 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.500 19.474 22.030 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -21.002 18.954 23.392 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.335 20.256 21.427 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.955 17.954 24.017 1.00 0.00 C ATOM 0 H ILE A 70 -24.093 18.817 21.590 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.630 21.030 22.949 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.805 18.622 21.423 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -20.025 18.488 23.264 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.867 19.796 24.071 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.452 19.619 21.386 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.597 20.579 20.419 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -20.124 21.129 22.045 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.556 17.620 24.975 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.926 18.425 24.173 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -22.070 17.097 23.353 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.757 22.520 20.923 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.846 23.415 19.788 1.00 0.00 C ATOM 1115 C LYS A 71 -21.514 23.502 19.067 1.00 0.00 C ATOM 1116 O LYS A 71 -20.498 23.799 19.692 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.331 24.802 20.249 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.840 24.929 20.486 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.688 24.142 19.475 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.956 24.843 19.019 1.00 0.00 C ATOM 1121 NZ LYS A 71 -28.011 24.812 20.048 1.00 0.00 N ATOM 0 H LYS A 71 -22.532 22.992 21.799 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.574 23.019 19.080 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.813 25.060 21.173 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -23.035 25.538 19.501 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -25.072 24.580 21.492 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.119 25.982 20.441 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -25.075 23.926 18.600 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.960 23.184 19.919 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.726 25.879 18.768 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.324 24.369 18.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.857 25.302 19.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -28.250 23.825 20.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.671 25.288 20.908 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.540 23.254 17.746 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.379 23.329 16.858 1.00 0.00 C ATOM 1137 C VAL A 72 -20.748 23.671 15.411 1.00 0.00 C ATOM 1138 O VAL A 72 -21.886 23.456 15.007 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.583 22.031 16.896 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -19.082 21.649 18.265 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.424 20.882 16.357 1.00 0.00 C ATOM 0 H VAL A 72 -22.396 22.989 17.258 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.764 24.147 17.234 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.708 22.215 16.272 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.526 20.713 18.201 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.428 22.434 18.645 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.928 21.523 18.940 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.844 19.960 16.389 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.320 20.769 16.968 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.712 21.094 15.327 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.781 24.133 14.603 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.991 24.487 13.192 1.00 0.00 C ATOM 1153 C LYS A 73 -18.909 23.847 12.346 1.00 0.00 C ATOM 1154 O LYS A 73 -17.740 23.917 12.713 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.906 26.002 12.978 1.00 0.00 C ATOM 1156 CG LYS A 73 -20.921 26.789 13.813 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.266 27.889 14.634 1.00 0.00 C ATOM 1158 CE LYS A 73 -19.768 29.020 13.730 1.00 0.00 C ATOM 1159 NZ LYS A 73 -18.914 29.972 14.466 1.00 0.00 N ATOM 0 H LYS A 73 -18.820 24.273 14.916 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.982 24.134 12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.900 26.341 13.226 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -20.065 26.223 11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.668 27.228 13.152 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.447 26.106 14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.980 28.283 15.357 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.432 27.477 15.202 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.208 28.599 12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.621 29.549 13.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.596 30.723 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.456 30.393 15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.087 29.472 14.849 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.287 23.266 11.207 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.362 22.623 10.291 1.00 0.00 C ATOM 1175 C ALA A 74 -17.276 23.577 9.807 1.00 0.00 C ATOM 1176 O ALA A 74 -17.545 24.755 9.565 1.00 0.00 O ATOM 1177 CB ALA A 74 -19.156 22.099 9.102 1.00 0.00 C ATOM 0 H ALA A 74 -20.258 23.232 10.896 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.861 21.809 10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.480 21.611 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.899 21.381 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.658 22.929 8.605 1.00 0.00 H new ATOM 1183 N GLN A 75 -16.065 23.037 9.636 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.876 23.820 9.318 1.00 0.00 C ATOM 1185 C GLN A 75 -14.043 23.156 8.208 1.00 0.00 C ATOM 1186 O GLN A 75 -13.426 23.860 7.411 1.00 0.00 O ATOM 1187 CB GLN A 75 -14.105 24.009 10.637 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.150 25.200 10.667 1.00 0.00 C ATOM 1189 CD GLN A 75 -13.829 26.563 10.511 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -14.896 26.809 11.066 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -13.203 27.479 9.773 1.00 0.00 N ATOM 0 H GLN A 75 -15.886 22.036 9.716 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.138 24.796 8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.825 24.121 11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.536 23.102 10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.603 25.187 11.610 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.416 25.081 9.870 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.317 27.252 9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.610 28.408 9.660 1.00 0.00 H new ATOM 1200 N ASP A 76 -14.086 21.819 8.111 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.476 20.991 7.082 1.00 0.00 C ATOM 1202 C ASP A 76 -14.241 19.668 7.098 1.00 0.00 C ATOM 1203 O ASP A 76 -14.034 18.812 7.959 1.00 0.00 O ATOM 1204 CB ASP A 76 -11.959 20.807 7.308 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.375 19.564 6.614 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.679 19.382 5.414 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.625 18.810 7.281 1.00 0.00 O ATOM 0 H ASP A 76 -14.584 21.257 8.801 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.547 21.462 6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.437 21.693 6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.766 20.738 8.379 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.165 19.530 6.145 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.720 18.248 5.745 1.00 0.00 C ATOM 1214 C VAL A 77 -14.876 17.776 4.553 1.00 0.00 C ATOM 1215 O VAL A 77 -14.560 18.547 3.644 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.233 18.358 5.436 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.067 18.912 6.612 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.516 19.213 4.207 1.00 0.00 C ATOM 0 H VAL A 77 -15.550 20.320 5.626 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.668 17.510 6.546 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.538 17.328 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.117 18.961 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.959 18.256 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.715 19.911 6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.591 19.258 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.132 20.220 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -17.027 18.774 3.338 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.519 16.497 4.568 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.722 15.838 3.537 1.00 0.00 C ATOM 1230 C GLN A 78 -14.693 15.110 2.610 1.00 0.00 C ATOM 1231 O GLN A 78 -15.651 14.513 3.089 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.717 14.859 4.167 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.648 15.561 5.029 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.650 14.585 5.664 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.571 13.418 5.288 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.873 15.051 6.643 1.00 0.00 N ATOM 0 H GLN A 78 -14.785 15.867 5.325 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.139 16.568 2.976 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.257 14.140 4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.224 14.294 3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.105 16.276 4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.142 16.130 5.817 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.955 16.023 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.197 14.435 7.095 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.458 15.152 1.295 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.410 14.710 0.272 1.00 0.00 C ATOM 1247 C ARG A 79 -14.734 13.706 -0.658 1.00 0.00 C ATOM 1248 O ARG A 79 -13.526 13.784 -0.878 1.00 0.00 O ATOM 1249 CB ARG A 79 -15.901 15.920 -0.537 1.00 0.00 C ATOM 1250 CG ARG A 79 -16.803 16.903 0.221 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.215 16.335 0.383 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.149 17.328 0.926 1.00 0.00 N ATOM 1253 CZ ARG A 79 -19.801 18.303 0.273 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.585 18.535 -1.027 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.688 19.046 0.942 1.00 0.00 N ATOM 0 H ARG A 79 -13.583 15.501 0.904 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.263 14.234 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.032 16.464 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.444 15.555 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.376 17.112 1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.847 17.850 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.578 15.986 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.183 15.468 1.043 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.326 17.270 1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.914 17.966 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.092 19.281 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.860 18.868 1.932 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.193 19.791 0.463 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.498 12.729 -1.158 1.00 0.00 N ATOM 1270 CA HIS A 80 -14.964 11.626 -1.952 1.00 0.00 C ATOM 1271 C HIS A 80 -14.683 12.083 -3.395 1.00 0.00 C ATOM 1272 O HIS A 80 -15.165 13.137 -3.814 1.00 0.00 O ATOM 1273 CB HIS A 80 -15.929 10.431 -1.885 1.00 0.00 C ATOM 1274 CG HIS A 80 -15.348 9.146 -1.367 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -14.656 8.960 -0.193 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -15.482 7.929 -1.975 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -14.380 7.647 -0.101 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -14.866 6.978 -1.162 1.00 0.00 N ATOM 0 H HIS A 80 -16.508 12.684 -1.021 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.008 11.302 -1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -16.774 10.706 -1.253 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.324 10.251 -2.885 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.400 9.682 0.481 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -15.976 7.738 -2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.840 7.191 0.716 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.898 11.309 -4.170 1.00 0.00 N ATOM 1287 CA PRO A 81 -13.405 11.735 -5.471 1.00 0.00 C ATOM 1288 C PRO A 81 -14.408 11.516 -6.614 1.00 0.00 C ATOM 1289 O PRO A 81 -14.127 11.948 -7.732 1.00 0.00 O ATOM 1290 CB PRO A 81 -12.123 10.924 -5.682 1.00 0.00 C ATOM 1291 CG PRO A 81 -12.423 9.606 -4.972 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.328 10.020 -3.813 1.00 0.00 C ATOM 0 HA PRO A 81 -13.233 12.811 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.912 10.772 -6.741 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.255 11.424 -5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.920 8.897 -5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.511 9.125 -4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.113 9.281 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.761 10.091 -2.885 1.00 0.00 H new ATOM 1300 N TYR A 82 -15.561 10.873 -6.357 1.00 0.00 N ATOM 1301 CA TYR A 82 -16.615 10.682 -7.349 1.00 0.00 C ATOM 1302 C TYR A 82 -17.977 10.973 -6.727 1.00 0.00 C ATOM 1303 O TYR A 82 -18.687 11.884 -7.149 1.00 0.00 O ATOM 1304 CB TYR A 82 -16.547 9.268 -7.952 1.00 0.00 C ATOM 1305 CG TYR A 82 -15.360 9.043 -8.870 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -15.397 9.530 -10.191 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -14.220 8.357 -8.409 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -14.301 9.337 -11.049 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -13.115 8.165 -9.258 1.00 0.00 C ATOM 1310 CZ TYR A 82 -13.152 8.656 -10.585 1.00 0.00 C ATOM 1311 OH TYR A 82 -12.088 8.475 -11.418 1.00 0.00 O ATOM 0 H TYR A 82 -15.782 10.471 -5.446 1.00 0.00 H new ATOM 0 HA TYR A 82 -16.466 11.386 -8.168 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.509 8.540 -7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.465 9.077 -8.509 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -16.272 10.054 -10.546 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.194 7.976 -7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.336 9.709 -12.062 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.240 7.644 -8.898 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.380 7.990 -10.944 1.00 0.00 H new ATOM 1321 N LYS A 83 -18.321 10.186 -5.709 1.00 0.00 N ATOM 1322 CA LYS A 83 -19.480 10.353 -4.843 1.00 0.00 C ATOM 1323 C LYS A 83 -19.169 11.414 -3.768 1.00 0.00 C ATOM 1324 O LYS A 83 -18.011 11.795 -3.619 1.00 0.00 O ATOM 1325 CB LYS A 83 -19.811 8.953 -4.291 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.678 8.319 -3.459 1.00 0.00 C ATOM 1327 CD LYS A 83 -18.581 6.797 -3.629 1.00 0.00 C ATOM 1328 CE LYS A 83 -19.902 6.115 -3.288 1.00 0.00 C ATOM 1329 NZ LYS A 83 -19.808 4.648 -3.421 1.00 0.00 N ATOM 0 H LYS A 83 -17.765 9.370 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 83 -20.361 10.730 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -20.707 9.020 -3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -20.048 8.292 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.729 8.771 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.836 8.551 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.302 6.561 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.792 6.407 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -20.191 6.370 -2.269 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -20.686 6.491 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.724 4.218 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.556 4.404 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.077 4.287 -2.775 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.153 11.916 -2.999 1.00 0.00 N ATOM 1344 CA PRO A 84 -19.911 12.970 -2.014 1.00 0.00 C ATOM 1345 C PRO A 84 -19.344 12.463 -0.674 1.00 0.00 C ATOM 1346 O PRO A 84 -19.146 13.284 0.219 1.00 0.00 O ATOM 1347 CB PRO A 84 -21.278 13.638 -1.826 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.253 12.482 -2.029 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.584 11.674 -3.139 1.00 0.00 C ATOM 0 HA PRO A 84 -19.142 13.655 -2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -21.378 14.082 -0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -21.441 14.436 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.380 11.894 -1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.242 12.833 -2.323 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.812 10.613 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.940 11.988 -4.120 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.111 11.148 -0.511 1.00 0.00 N ATOM 1358 CA LYS A 85 -18.903 10.473 0.778 1.00 0.00 C ATOM 1359 C LYS A 85 -17.763 11.066 1.617 1.00 0.00 C ATOM 1360 O LYS A 85 -16.852 11.719 1.116 1.00 0.00 O ATOM 1361 CB LYS A 85 -18.705 8.959 0.568 1.00 0.00 C ATOM 1362 CG LYS A 85 -19.982 8.221 0.133 1.00 0.00 C ATOM 1363 CD LYS A 85 -20.991 8.061 1.278 1.00 0.00 C ATOM 1364 CE LYS A 85 -22.244 7.341 0.786 1.00 0.00 C ATOM 1365 NZ LYS A 85 -23.281 7.267 1.840 1.00 0.00 N ATOM 0 H LYS A 85 -19.061 10.506 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 85 -19.810 10.643 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.932 8.804 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.339 8.518 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -20.451 8.766 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.715 7.236 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -20.538 7.499 2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -21.259 9.040 1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -22.645 7.861 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -21.982 6.334 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.117 6.772 1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -22.906 6.749 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -23.549 8.229 2.131 1.00 0.00 H new ATOM 1379 N LEU A 86 -17.823 10.810 2.924 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.145 11.594 3.946 1.00 0.00 C ATOM 1381 C LEU A 86 -16.108 10.730 4.637 1.00 0.00 C ATOM 1382 O LEU A 86 -16.439 9.850 5.429 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.145 12.177 4.965 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.289 13.014 4.350 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.528 13.001 5.260 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.888 14.453 4.014 1.00 0.00 C ATOM 0 H LEU A 86 -18.359 10.031 3.307 1.00 0.00 H new ATOM 0 HA LEU A 86 -16.648 12.438 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.581 11.356 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.598 12.801 5.672 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.531 12.534 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.319 13.597 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -20.874 11.975 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.270 13.421 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.742 14.978 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.566 14.962 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.070 14.444 3.294 1.00 0.00 H new ATOM 1398 N GLN A 87 -14.841 10.999 4.321 1.00 0.00 N ATOM 1399 CA GLN A 87 -13.711 10.384 4.984 1.00 0.00 C ATOM 1400 C GLN A 87 -13.581 10.870 6.430 1.00 0.00 C ATOM 1401 O GLN A 87 -13.078 10.115 7.257 1.00 0.00 O ATOM 1402 CB GLN A 87 -12.450 10.711 4.177 1.00 0.00 C ATOM 1403 CG GLN A 87 -12.507 10.063 2.784 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.523 11.093 1.664 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -13.693 11.636 1.344 1.00 0.00 O flip ATOM 1406 NE2 GLN A 87 -11.497 11.393 1.065 1.00 0.00 N flip ATOM 0 H GLN A 87 -14.577 11.658 3.589 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.854 9.304 5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.348 11.792 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.569 10.356 4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.647 9.406 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.398 9.439 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.609 10.964 1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.530 12.072 0.304 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.053 12.094 6.731 1.00 0.00 N ATOM 1416 CA HIS A 88 -13.962 12.753 8.027 1.00 0.00 C ATOM 1417 C HIS A 88 -14.582 14.134 7.933 1.00 0.00 C ATOM 1418 O HIS A 88 -14.714 14.712 6.853 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.515 12.883 8.507 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.360 13.554 9.846 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -11.728 14.751 10.092 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.776 13.045 11.045 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.733 14.921 11.423 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.359 13.916 12.050 1.00 0.00 N ATOM 0 H HIS A 88 -14.529 12.670 6.037 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.499 12.138 8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.072 11.888 8.560 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -11.948 13.445 7.765 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.330 12.129 11.188 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.287 15.765 11.927 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.501 13.810 13.055 1.00 0.00 H new ATOM 1432 N ILE A 89 -14.971 14.640 9.102 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.553 15.941 9.308 1.00 0.00 C ATOM 1434 C ILE A 89 -15.054 16.427 10.660 1.00 0.00 C ATOM 1435 O ILE A 89 -14.888 15.646 11.593 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.090 15.829 9.281 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.572 15.294 7.918 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.718 17.192 9.608 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.055 15.003 7.889 1.00 0.00 C ATOM 0 H ILE A 89 -14.878 14.115 9.971 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.269 16.646 8.526 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.410 15.116 10.041 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.335 16.023 7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.024 14.383 7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.804 17.106 9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.398 17.512 10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.398 17.927 8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.333 14.630 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.293 14.252 8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.609 15.917 8.100 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.903 17.738 10.780 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.676 18.407 12.046 1.00 0.00 C ATOM 1453 C ASP A 90 -15.718 19.513 12.222 1.00 0.00 C ATOM 1454 O ASP A 90 -16.358 19.952 11.261 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.238 18.926 12.111 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.821 19.828 10.970 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -13.609 20.724 10.616 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.673 19.627 10.513 1.00 0.00 O ATOM 0 H ASP A 90 -14.936 18.375 9.984 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.794 17.710 12.876 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.108 19.469 13.047 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.562 18.071 12.142 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.872 19.977 13.463 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.680 21.113 13.830 1.00 0.00 C ATOM 1465 C PHE A 91 -15.844 21.944 14.802 1.00 0.00 C ATOM 1466 O PHE A 91 -15.014 21.383 15.517 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.975 20.596 14.469 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.591 19.306 13.947 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -19.559 19.332 12.923 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -18.274 18.082 14.559 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -20.206 18.142 12.541 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -18.900 16.896 14.156 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.871 16.923 13.155 1.00 0.00 C ATOM 0 H PHE A 91 -15.413 19.545 14.265 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.961 21.733 12.979 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.786 20.463 15.534 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.725 21.381 14.374 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.804 20.263 12.433 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -17.539 18.055 15.350 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -20.964 18.166 11.772 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.631 15.959 14.621 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.364 16.011 12.853 1.00 0.00 H new ATOM 1483 N VAL A 92 -16.061 23.261 14.863 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.397 24.108 15.845 1.00 0.00 C ATOM 1485 C VAL A 92 -16.389 24.476 16.939 1.00 0.00 C ATOM 1486 O VAL A 92 -17.574 24.616 16.650 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.776 25.344 15.186 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -13.609 24.958 14.287 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.745 26.188 14.359 1.00 0.00 C ATOM 0 H VAL A 92 -16.695 23.761 14.239 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.572 23.559 16.298 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.448 25.954 16.028 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.188 25.855 13.833 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.843 24.457 14.880 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -13.960 24.285 13.504 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.214 27.039 13.933 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.161 25.581 13.555 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -16.552 26.547 14.998 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.891 24.637 18.172 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.637 24.925 19.397 1.00 0.00 C ATOM 1501 C ARG A 93 -17.471 26.205 19.245 1.00 0.00 C ATOM 1502 O ARG A 93 -16.981 27.306 19.499 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.644 25.047 20.572 1.00 0.00 C ATOM 1504 CG ARG A 93 -14.996 23.721 21.008 1.00 0.00 C ATOM 1505 CD ARG A 93 -15.780 23.014 22.119 1.00 0.00 C ATOM 1506 NE ARG A 93 -15.035 21.850 22.629 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.095 21.852 23.591 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -13.802 22.967 24.272 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -13.447 20.713 23.853 1.00 0.00 N ATOM 0 H ARG A 93 -14.889 24.564 18.348 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.332 24.109 19.596 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.856 25.746 20.292 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.165 25.479 21.426 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.919 23.059 20.146 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.980 23.914 21.353 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -15.974 23.712 22.933 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.749 22.692 21.738 1.00 0.00 H new ATOM 0 HE ARG A 93 -15.255 20.947 22.208 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.295 23.836 24.065 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.086 22.948 24.998 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.669 19.867 23.328 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.730 20.689 24.578 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.725 26.042 18.810 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.706 27.120 18.712 1.00 0.00 C ATOM 1525 C ALA A 94 -20.213 27.553 20.090 1.00 0.00 C ATOM 1526 O ALA A 94 -20.439 26.666 20.942 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.869 26.675 17.835 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.413 28.777 20.249 1.00 0.00 O ATOM 0 H ALA A 94 -19.090 25.138 18.511 1.00 0.00 H new ATOM 0 HA ALA A 94 -19.217 27.983 18.260 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.600 27.481 17.763 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.500 26.430 16.839 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.340 25.796 18.274 1.00 0.00 H new