USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 802 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 63 CYS SG : rot 148:sc= 1.71 USER MOD Set 1.2: A 66 CYS SG : rot 51:sc= -3.34! USER MOD Set 1.3: A 92 CYS SG : rot 143:sc= -0.409 USER MOD Set 1.4: A 95 CYS SG : rot 81:sc= -8.48! USER MOD Single : A 23 SER OG : rot 75:sc= 0.387 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 56:sc=0.000558 USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= 0.183! (180deg=-3.26!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.83 F(o=-2.4,f=-1.8) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= -0.0562 (180deg=-0.138) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -0.0228 (180deg=-0.26) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= -0.133 (180deg=-0.734) USER MOD Single : A 67 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.05) USER MOD Single : A 75 ASN : amide:sc= -6.54! C(o=-6.5!,f=-11!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -164:sc= -0.0234 (180deg=-0.276) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.307 F(o=-1.1,f=-0.31) USER MOD Single : A 91 LYS NZ :NH3+ -123:sc= -2.03 (180deg=-3.37!) USER MOD Single : A 97 HIS : no HD1:sc= -0.894 X(o=-0.89,f=-0.64) USER MOD Single : A 99 MET CE :methyl 158:sc= -0.138 (180deg=-0.758) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -18.853 -19.116 0.882 1.00 0.00 N ATOM 24 CA GLU A 16 -19.426 -18.983 -0.457 1.00 0.00 C ATOM 25 C GLU A 16 -20.597 -17.994 -0.463 1.00 0.00 C ATOM 26 O GLU A 16 -20.799 -17.266 -1.430 1.00 0.00 O ATOM 27 CB GLU A 16 -19.861 -20.363 -0.967 1.00 0.00 C ATOM 28 CG GLU A 16 -20.399 -20.239 -2.398 1.00 0.00 C ATOM 29 CD GLU A 16 -20.798 -21.593 -2.992 1.00 0.00 C ATOM 30 OE1 GLU A 16 -20.412 -22.617 -2.452 1.00 0.00 O ATOM 31 OE2 GLU A 16 -21.549 -21.582 -3.955 1.00 0.00 O ATOM 0 HA GLU A 16 -18.666 -18.583 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.017 -21.053 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.629 -20.777 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -21.263 -19.575 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.640 -19.778 -3.030 1.00 0.00 H new ATOM 38 N ARG A 17 -21.343 -17.954 0.641 1.00 0.00 N ATOM 39 CA ARG A 17 -22.493 -17.057 0.771 1.00 0.00 C ATOM 40 C ARG A 17 -22.068 -15.604 0.623 1.00 0.00 C ATOM 41 O ARG A 17 -22.748 -14.807 -0.033 1.00 0.00 O ATOM 42 CB ARG A 17 -23.142 -17.238 2.145 1.00 0.00 C ATOM 43 CG ARG A 17 -24.391 -16.356 2.255 1.00 0.00 C ATOM 44 CD ARG A 17 -25.030 -16.521 3.634 1.00 0.00 C ATOM 45 NE ARG A 17 -26.200 -15.661 3.743 1.00 0.00 N ATOM 46 CZ ARG A 17 -27.403 -16.076 3.363 1.00 0.00 C ATOM 47 NH1 ARG A 17 -27.544 -17.203 2.726 1.00 0.00 N ATOM 48 NH2 ARG A 17 -28.407 -15.252 3.464 1.00 0.00 N ATOM 0 H ARG A 17 -21.171 -18.535 1.462 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.203 -17.306 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -23.411 -18.284 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -22.432 -16.976 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.124 -15.312 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -25.107 -16.627 1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -25.316 -17.561 3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.309 -16.269 4.411 1.00 0.00 H new ATOM 0 HE ARG A 17 -26.093 -14.719 4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -26.726 -17.775 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -28.472 -17.514 2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -28.260 -14.311 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -29.340 -15.548 3.178 1.00 0.00 H new ATOM 62 N ILE A 18 -20.960 -15.237 1.261 1.00 0.00 N ATOM 63 CA ILE A 18 -20.428 -13.882 1.104 1.00 0.00 C ATOM 64 C ILE A 18 -20.026 -13.659 -0.346 1.00 0.00 C ATOM 65 O ILE A 18 -20.158 -12.552 -0.865 1.00 0.00 O ATOM 66 CB ILE A 18 -19.208 -13.677 2.024 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.637 -13.695 3.496 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.508 -12.355 1.691 1.00 0.00 C ATOM 69 CD1 ILE A 18 -20.543 -12.510 3.842 1.00 0.00 C ATOM 0 H ILE A 18 -20.421 -15.843 1.880 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.199 -13.163 1.382 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.508 -14.495 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -20.161 -14.627 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -18.752 -13.673 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -17.648 -12.223 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.173 -12.372 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -19.204 -11.529 1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.823 -12.561 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -20.011 -11.578 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -21.441 -12.546 3.225 1.00 0.00 H new ATOM 81 N ASP A 19 -19.362 -14.649 -0.927 1.00 0.00 N ATOM 82 CA ASP A 19 -18.810 -14.511 -2.269 1.00 0.00 C ATOM 83 C ASP A 19 -19.929 -14.297 -3.296 1.00 0.00 C ATOM 84 O ASP A 19 -19.804 -13.451 -4.182 1.00 0.00 O ATOM 85 CB ASP A 19 -17.981 -15.746 -2.609 1.00 0.00 C ATOM 86 CG ASP A 19 -16.536 -15.653 -2.088 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.152 -14.621 -1.567 1.00 0.00 O ATOM 88 OD2 ASP A 19 -15.874 -16.677 -2.109 1.00 0.00 O ATOM 0 H ASP A 19 -19.192 -15.556 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.163 -13.635 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.460 -16.628 -2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.965 -15.881 -3.690 1.00 0.00 H new ATOM 93 N ILE A 20 -21.040 -15.014 -3.132 1.00 0.00 N ATOM 94 CA ILE A 20 -22.211 -14.821 -3.997 1.00 0.00 C ATOM 95 C ILE A 20 -22.760 -13.405 -3.826 1.00 0.00 C ATOM 96 O ILE A 20 -23.186 -12.769 -4.784 1.00 0.00 O ATOM 97 CB ILE A 20 -23.322 -15.806 -3.595 1.00 0.00 C ATOM 98 CG1 ILE A 20 -22.909 -17.253 -3.899 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.596 -15.477 -4.380 1.00 0.00 C ATOM 100 CD1 ILE A 20 -23.895 -18.222 -3.235 1.00 0.00 C ATOM 0 H ILE A 20 -21.157 -15.730 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 20 -21.906 -14.987 -5.030 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.498 -15.710 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -22.892 -17.418 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -21.899 -17.438 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.387 -16.173 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.911 -14.459 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.398 -15.566 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -23.599 -19.248 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -23.890 -18.064 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.898 -18.043 -3.623 1.00 0.00 H new ATOM 112 N LEU A 21 -22.853 -12.995 -2.567 1.00 0.00 N ATOM 113 CA LEU A 21 -23.344 -11.668 -2.195 1.00 0.00 C ATOM 114 C LEU A 21 -22.432 -10.592 -2.772 1.00 0.00 C ATOM 115 O LEU A 21 -22.861 -9.777 -3.586 1.00 0.00 O ATOM 116 CB LEU A 21 -23.477 -11.550 -0.675 1.00 0.00 C ATOM 117 CG LEU A 21 -24.437 -10.422 -0.255 1.00 0.00 C ATOM 118 CD1 LEU A 21 -24.070 -9.077 -0.891 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.864 -10.791 -0.670 1.00 0.00 C ATOM 0 H LEU A 21 -22.590 -13.574 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.338 -11.523 -2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -23.834 -12.497 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.494 -11.368 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 21 -24.359 -10.314 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -24.777 -8.315 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -23.063 -8.793 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.109 -9.165 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.547 -9.994 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -25.906 -10.922 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -26.157 -11.720 -0.180 1.00 0.00 H new ATOM 131 N PHE A 22 -21.135 -10.875 -2.661 1.00 0.00 N ATOM 132 CA PHE A 22 -20.088 -9.973 -3.134 1.00 0.00 C ATOM 133 C PHE A 22 -20.228 -9.727 -4.634 1.00 0.00 C ATOM 134 O PHE A 22 -19.977 -8.618 -5.106 1.00 0.00 O ATOM 135 CB PHE A 22 -18.728 -10.614 -2.830 1.00 0.00 C ATOM 136 CG PHE A 22 -17.587 -9.756 -3.331 1.00 0.00 C ATOM 137 CD1 PHE A 22 -17.167 -8.647 -2.588 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.858 -10.155 -4.466 1.00 0.00 C ATOM 139 CE1 PHE A 22 -16.005 -7.958 -2.965 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.732 -9.425 -4.871 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.370 -8.266 -4.173 1.00 0.00 C ATOM 0 H PHE A 22 -20.782 -11.735 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 22 -20.174 -9.012 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.627 -10.764 -1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.676 -11.598 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.735 -8.323 -1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.166 -11.025 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.600 -7.190 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.147 -9.755 -5.717 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.604 -7.613 -4.565 1.00 0.00 H new ATOM 151 N SER A 23 -20.443 -10.801 -5.386 1.00 0.00 N ATOM 152 CA SER A 23 -20.622 -10.708 -6.833 1.00 0.00 C ATOM 153 C SER A 23 -21.822 -9.847 -7.208 1.00 0.00 C ATOM 154 O SER A 23 -21.767 -9.078 -8.168 1.00 0.00 O ATOM 155 CB SER A 23 -20.826 -12.106 -7.407 1.00 0.00 C ATOM 156 OG SER A 23 -19.673 -12.895 -7.158 1.00 0.00 O ATOM 0 H SER A 23 -20.498 -11.750 -5.017 1.00 0.00 H new ATOM 0 HA SER A 23 -19.727 -10.242 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 23 -21.702 -12.571 -6.955 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.014 -12.046 -8.479 1.00 0.00 H new ATOM 0 HG SER A 23 -19.658 -13.164 -6.216 1.00 0.00 H new ATOM 162 N LEU A 24 -22.936 -10.024 -6.502 1.00 0.00 N ATOM 163 CA LEU A 24 -24.093 -9.154 -6.696 1.00 0.00 C ATOM 164 C LEU A 24 -23.748 -7.720 -6.327 1.00 0.00 C ATOM 165 O LEU A 24 -24.051 -6.788 -7.074 1.00 0.00 O ATOM 166 CB LEU A 24 -25.276 -9.625 -5.848 1.00 0.00 C ATOM 167 CG LEU A 24 -25.829 -10.953 -6.379 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.810 -11.546 -5.364 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.535 -10.728 -7.723 1.00 0.00 C ATOM 0 H LEU A 24 -23.062 -10.752 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.371 -9.199 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.962 -9.745 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -26.061 -8.869 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.004 -11.650 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.201 -12.490 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -26.295 -11.721 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.633 -10.850 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.925 -11.677 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.358 -10.025 -7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.825 -10.322 -8.443 1.00 0.00 H new ATOM 181 N ALA A 25 -23.014 -7.569 -5.226 1.00 0.00 N ATOM 182 CA ALA A 25 -22.652 -6.245 -4.733 1.00 0.00 C ATOM 183 C ALA A 25 -21.755 -5.519 -5.731 1.00 0.00 C ATOM 184 O ALA A 25 -21.807 -4.296 -5.820 1.00 0.00 O ATOM 185 CB ALA A 25 -21.931 -6.375 -3.392 1.00 0.00 C ATOM 0 H ALA A 25 -22.661 -8.343 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.565 -5.663 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.662 -5.384 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.588 -6.862 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -21.028 -6.972 -3.521 1.00 0.00 H new ATOM 191 N GLU A 26 -20.829 -6.246 -6.353 1.00 0.00 N ATOM 192 CA GLU A 26 -19.917 -5.612 -7.300 1.00 0.00 C ATOM 193 C GLU A 26 -20.630 -5.126 -8.562 1.00 0.00 C ATOM 194 O GLU A 26 -20.131 -4.190 -9.188 1.00 0.00 O ATOM 195 CB GLU A 26 -18.762 -6.565 -7.637 1.00 0.00 C ATOM 196 CG GLU A 26 -17.766 -5.858 -8.566 1.00 0.00 C ATOM 197 CD GLU A 26 -16.555 -6.736 -8.886 1.00 0.00 C ATOM 198 OE1 GLU A 26 -16.340 -7.723 -8.201 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.793 -6.334 -9.750 1.00 0.00 O ATOM 0 H GLU A 26 -20.692 -7.248 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.508 -4.722 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.260 -6.882 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.147 -7.464 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.269 -5.582 -9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.429 -4.933 -8.099 1.00 0.00 H new ATOM 206 N ARG A 27 -21.526 -5.934 -9.125 1.00 0.00 N ATOM 207 CA ARG A 27 -22.293 -5.501 -10.298 1.00 0.00 C ATOM 208 C ARG A 27 -23.233 -4.321 -10.048 1.00 0.00 C ATOM 209 O ARG A 27 -23.174 -3.315 -10.749 1.00 0.00 O ATOM 210 CB ARG A 27 -23.126 -6.646 -10.876 1.00 0.00 C ATOM 211 CG ARG A 27 -22.240 -7.702 -11.541 1.00 0.00 C ATOM 212 CD ARG A 27 -23.122 -8.830 -12.096 1.00 0.00 C ATOM 213 NE ARG A 27 -23.748 -9.571 -11.008 1.00 0.00 N ATOM 214 CZ ARG A 27 -23.093 -10.554 -10.389 1.00 0.00 C ATOM 215 NH1 ARG A 27 -21.835 -10.770 -10.652 1.00 0.00 N ATOM 216 NH2 ARG A 27 -23.672 -11.236 -9.448 1.00 0.00 N ATOM 0 H ARG A 27 -21.739 -6.876 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.528 -5.174 -11.002 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.712 -7.109 -10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -23.833 -6.251 -11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -21.658 -7.251 -12.345 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -21.529 -8.103 -10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -23.889 -8.412 -12.748 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -22.520 -9.505 -12.704 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.697 -9.335 -10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -21.349 -10.186 -11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -21.337 -11.523 -10.177 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -24.632 -11.021 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -23.167 -11.987 -8.978 1.00 0.00 H new ATOM 230 N VAL A 28 -23.958 -4.372 -8.931 1.00 0.00 N ATOM 231 CA VAL A 28 -24.903 -3.317 -8.575 1.00 0.00 C ATOM 232 C VAL A 28 -24.163 -2.014 -8.289 1.00 0.00 C ATOM 233 O VAL A 28 -24.575 -0.941 -8.724 1.00 0.00 O ATOM 234 CB VAL A 28 -25.794 -3.761 -7.406 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.966 -4.002 -6.142 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.891 -2.722 -7.143 1.00 0.00 C ATOM 0 H VAL A 28 -23.908 -5.135 -8.256 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.565 -3.128 -9.420 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.267 -4.704 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.623 -4.315 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -24.229 -4.782 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -24.456 -3.081 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -27.513 -3.053 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -26.433 -1.764 -6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.507 -2.610 -8.035 1.00 0.00 H new ATOM 246 N PHE A 29 -22.972 -2.175 -7.724 1.00 0.00 N ATOM 247 CA PHE A 29 -22.178 -1.067 -7.207 1.00 0.00 C ATOM 248 C PHE A 29 -21.924 0.030 -8.248 1.00 0.00 C ATOM 249 O PHE A 29 -22.177 1.203 -7.957 1.00 0.00 O ATOM 250 CB PHE A 29 -20.872 -1.667 -6.669 1.00 0.00 C ATOM 251 CG PHE A 29 -19.877 -0.590 -6.329 1.00 0.00 C ATOM 252 CD1 PHE A 29 -20.111 0.139 -5.168 1.00 0.00 C ATOM 253 CD2 PHE A 29 -18.573 -0.669 -6.842 1.00 0.00 C ATOM 254 CE1 PHE A 29 -19.085 0.871 -4.593 1.00 0.00 C ATOM 255 CE2 PHE A 29 -17.587 0.202 -6.369 1.00 0.00 C ATOM 256 CZ PHE A 29 -17.849 0.980 -5.238 1.00 0.00 C ATOM 0 H PHE A 29 -22.527 -3.086 -7.611 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.727 -0.561 -6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -21.082 -2.265 -5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -20.444 -2.339 -7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -21.091 0.134 -4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.332 -1.400 -7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -19.240 1.360 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.634 0.273 -6.872 1.00 0.00 H new ATOM 0 HZ PHE A 29 -17.100 1.662 -4.864 1.00 0.00 H new ATOM 266 N PRO A 30 -21.287 -0.276 -9.389 1.00 0.00 N ATOM 267 CA PRO A 30 -21.120 0.714 -10.492 1.00 0.00 C ATOM 268 C PRO A 30 -22.434 1.207 -11.094 1.00 0.00 C ATOM 269 O PRO A 30 -22.516 2.348 -11.548 1.00 0.00 O ATOM 270 CB PRO A 30 -20.307 -0.054 -11.545 1.00 0.00 C ATOM 271 CG PRO A 30 -20.569 -1.495 -11.277 1.00 0.00 C ATOM 272 CD PRO A 30 -20.762 -1.598 -9.768 1.00 0.00 C ATOM 0 HA PRO A 30 -20.642 1.622 -10.125 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.614 0.220 -12.554 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.244 0.174 -11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.455 -1.839 -11.811 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -19.736 -2.114 -11.610 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.459 -2.395 -9.507 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.823 -1.816 -9.259 1.00 0.00 H new ATOM 280 N TYR A 31 -23.451 0.348 -11.113 1.00 0.00 N ATOM 281 CA TYR A 31 -24.773 0.774 -11.571 1.00 0.00 C ATOM 282 C TYR A 31 -25.364 1.855 -10.669 1.00 0.00 C ATOM 283 O TYR A 31 -26.121 2.703 -11.132 1.00 0.00 O ATOM 284 CB TYR A 31 -25.750 -0.404 -11.676 1.00 0.00 C ATOM 285 CG TYR A 31 -25.340 -1.302 -12.818 1.00 0.00 C ATOM 286 CD1 TYR A 31 -25.616 -0.872 -14.125 1.00 0.00 C ATOM 287 CD2 TYR A 31 -25.204 -2.678 -12.587 1.00 0.00 C ATOM 288 CE1 TYR A 31 -25.249 -1.681 -15.203 1.00 0.00 C ATOM 289 CE2 TYR A 31 -24.968 -3.539 -13.671 1.00 0.00 C ATOM 290 CZ TYR A 31 -24.960 -3.031 -14.977 1.00 0.00 C ATOM 291 OH TYR A 31 -24.796 -3.884 -16.048 1.00 0.00 O ATOM 0 H TYR A 31 -23.390 -0.628 -10.823 1.00 0.00 H new ATOM 0 HA TYR A 31 -24.630 1.193 -12.567 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.758 -0.967 -10.743 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -26.763 -0.036 -11.835 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -26.107 0.075 -14.296 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -25.280 -3.072 -11.584 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -25.189 -1.269 -16.200 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -24.793 -4.591 -13.498 1.00 0.00 H new ATOM 0 HH TYR A 31 -24.599 -4.786 -15.720 1.00 0.00 H new ATOM 301 N SER A 32 -25.243 1.626 -9.368 1.00 0.00 N ATOM 302 CA SER A 32 -25.762 2.548 -8.370 1.00 0.00 C ATOM 303 C SER A 32 -25.145 2.206 -7.017 1.00 0.00 C ATOM 304 O SER A 32 -25.456 1.165 -6.438 1.00 0.00 O ATOM 305 CB SER A 32 -27.290 2.463 -8.307 1.00 0.00 C ATOM 306 OG SER A 32 -27.855 3.692 -8.737 1.00 0.00 O ATOM 0 H SER A 32 -24.786 0.802 -8.978 1.00 0.00 H new ATOM 0 HA SER A 32 -25.497 3.570 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.645 1.648 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.610 2.241 -7.289 1.00 0.00 H new ATOM 0 HG SER A 32 -27.527 3.907 -9.635 1.00 0.00 H new ATOM 312 N PRO A 33 -24.384 3.136 -6.435 1.00 0.00 N ATOM 313 CA PRO A 33 -23.891 3.014 -5.031 1.00 0.00 C ATOM 314 C PRO A 33 -25.030 2.838 -4.032 1.00 0.00 C ATOM 315 O PRO A 33 -24.963 1.953 -3.185 1.00 0.00 O ATOM 316 CB PRO A 33 -23.128 4.323 -4.808 1.00 0.00 C ATOM 317 CG PRO A 33 -22.717 4.763 -6.172 1.00 0.00 C ATOM 318 CD PRO A 33 -23.856 4.343 -7.095 1.00 0.00 C ATOM 0 HA PRO A 33 -23.269 2.132 -4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -23.758 5.070 -4.325 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.262 4.171 -4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -22.561 5.841 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -21.778 4.296 -6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -24.614 5.121 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.502 4.130 -8.104 1.00 0.00 H new ATOM 326 N GLU A 34 -26.168 3.474 -4.320 1.00 0.00 N ATOM 327 CA GLU A 34 -27.334 3.395 -3.441 1.00 0.00 C ATOM 328 C GLU A 34 -27.905 1.982 -3.362 1.00 0.00 C ATOM 329 O GLU A 34 -28.446 1.588 -2.334 1.00 0.00 O ATOM 330 CB GLU A 34 -28.445 4.316 -3.964 1.00 0.00 C ATOM 331 CG GLU A 34 -28.039 5.789 -3.831 1.00 0.00 C ATOM 332 CD GLU A 34 -29.086 6.737 -4.414 1.00 0.00 C ATOM 333 OE1 GLU A 34 -29.988 6.278 -5.094 1.00 0.00 O ATOM 334 OE2 GLU A 34 -28.835 7.926 -4.353 1.00 0.00 O ATOM 0 H GLU A 34 -26.305 4.047 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.999 3.698 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -28.654 4.085 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -29.365 4.136 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.884 6.027 -2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -27.087 5.948 -4.337 1.00 0.00 H new ATOM 341 N LEU A 35 -28.011 1.338 -4.518 1.00 0.00 N ATOM 342 CA LEU A 35 -28.461 -0.049 -4.566 1.00 0.00 C ATOM 343 C LEU A 35 -27.482 -0.976 -3.845 1.00 0.00 C ATOM 344 O LEU A 35 -27.847 -1.602 -2.849 1.00 0.00 O ATOM 345 CB LEU A 35 -28.651 -0.491 -6.019 1.00 0.00 C ATOM 346 CG LEU A 35 -29.852 0.227 -6.650 1.00 0.00 C ATOM 347 CD1 LEU A 35 -29.889 -0.014 -8.162 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.154 -0.276 -6.020 1.00 0.00 C ATOM 0 H LEU A 35 -27.794 1.748 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.419 -0.114 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.749 -0.274 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.803 -1.570 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.749 1.296 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.747 0.503 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -28.973 0.366 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -29.973 -1.083 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.001 0.239 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.249 -1.349 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.140 -0.077 -4.948 1.00 0.00 H new ATOM 360 N ALA A 36 -26.200 -0.711 -4.086 1.00 0.00 N ATOM 361 CA ALA A 36 -25.089 -1.423 -3.446 1.00 0.00 C ATOM 362 C ALA A 36 -25.078 -1.193 -1.940 1.00 0.00 C ATOM 363 O ALA A 36 -24.482 -1.968 -1.197 1.00 0.00 O ATOM 364 CB ALA A 36 -23.772 -0.965 -4.062 1.00 0.00 C ATOM 0 H ALA A 36 -25.897 0.012 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.219 -2.492 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.945 -1.493 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.775 -1.181 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.653 0.108 -3.909 1.00 0.00 H new ATOM 370 N LYS A 37 -25.469 0.016 -1.572 1.00 0.00 N ATOM 371 CA LYS A 37 -25.433 0.466 -0.186 1.00 0.00 C ATOM 372 C LYS A 37 -26.286 -0.419 0.710 1.00 0.00 C ATOM 373 O LYS A 37 -25.768 -1.014 1.653 1.00 0.00 O ATOM 374 CB LYS A 37 -25.984 1.896 -0.191 1.00 0.00 C ATOM 375 CG LYS A 37 -26.087 2.509 1.211 1.00 0.00 C ATOM 376 CD LYS A 37 -24.721 2.636 1.885 1.00 0.00 C ATOM 377 CE LYS A 37 -24.841 3.595 3.074 1.00 0.00 C ATOM 378 NZ LYS A 37 -24.151 3.050 4.278 1.00 0.00 N ATOM 0 H LYS A 37 -25.821 0.716 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.417 0.420 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.342 2.524 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.971 1.897 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -26.550 3.493 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -26.740 1.892 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -24.375 1.659 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -23.983 3.008 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -24.410 4.561 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.893 3.767 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -24.859 2.747 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.565 2.236 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.547 3.787 4.695 1.00 0.00 H new ATOM 392 N ARG A 38 -27.512 -0.692 0.282 1.00 0.00 N ATOM 393 CA ARG A 38 -28.361 -1.614 1.022 1.00 0.00 C ATOM 394 C ARG A 38 -27.840 -3.052 1.009 1.00 0.00 C ATOM 395 O ARG A 38 -27.753 -3.679 2.064 1.00 0.00 O ATOM 396 CB ARG A 38 -29.765 -1.535 0.434 1.00 0.00 C ATOM 397 CG ARG A 38 -30.369 -0.182 0.834 1.00 0.00 C ATOM 398 CD ARG A 38 -31.755 -0.029 0.212 1.00 0.00 C ATOM 399 NE ARG A 38 -31.638 0.086 -1.241 1.00 0.00 N ATOM 400 CZ ARG A 38 -32.705 0.116 -2.029 1.00 0.00 C ATOM 401 NH1 ARG A 38 -33.896 0.216 -1.516 1.00 0.00 N ATOM 402 NH2 ARG A 38 -32.551 0.124 -3.320 1.00 0.00 N ATOM 0 H ARG A 38 -27.934 -0.296 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.364 -1.318 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.730 -1.631 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.381 -2.353 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.438 -0.111 1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.720 0.628 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -32.375 -0.888 0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -32.250 0.854 0.617 1.00 0.00 H new ATOM 0 HE ARG A 38 -30.710 0.145 -1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -34.012 0.272 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -34.714 0.239 -2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -31.614 0.107 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -33.368 0.147 -3.931 1.00 0.00 H new ATOM 416 N TYR A 39 -27.365 -3.525 -0.146 1.00 0.00 N ATOM 417 CA TYR A 39 -26.892 -4.902 -0.243 1.00 0.00 C ATOM 418 C TYR A 39 -25.698 -5.206 0.660 1.00 0.00 C ATOM 419 O TYR A 39 -25.518 -6.363 1.041 1.00 0.00 O ATOM 420 CB TYR A 39 -26.565 -5.299 -1.691 1.00 0.00 C ATOM 421 CG TYR A 39 -27.843 -5.552 -2.459 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.556 -6.736 -2.214 1.00 0.00 C ATOM 423 CD2 TYR A 39 -28.339 -4.604 -3.366 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.772 -6.958 -2.857 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.542 -4.863 -4.046 1.00 0.00 C ATOM 426 CZ TYR A 39 -30.186 -6.091 -3.873 1.00 0.00 C ATOM 427 OH TYR A 39 -31.216 -6.467 -4.711 1.00 0.00 O ATOM 0 H TYR A 39 -27.299 -2.985 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.726 -5.507 0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.992 -4.507 -2.173 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.943 -6.194 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.163 -7.473 -1.529 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.802 -3.684 -3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.392 -7.795 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.967 -4.116 -4.700 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.384 -5.755 -5.362 1.00 0.00 H new ATOM 437 N VAL A 40 -24.714 -4.314 0.661 1.00 0.00 N ATOM 438 CA VAL A 40 -23.531 -4.482 1.502 1.00 0.00 C ATOM 439 C VAL A 40 -23.863 -4.418 2.995 1.00 0.00 C ATOM 440 O VAL A 40 -23.390 -5.250 3.760 1.00 0.00 O ATOM 441 CB VAL A 40 -22.440 -3.478 1.123 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.288 -3.570 2.134 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.906 -3.760 -0.282 1.00 0.00 C ATOM 0 H VAL A 40 -24.710 -3.468 0.091 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.145 -5.484 1.315 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.870 -2.476 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.510 -2.855 1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.661 -3.342 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.874 -4.578 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.132 -3.034 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.485 -4.765 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.720 -3.682 -1.003 1.00 0.00 H new ATOM 453 N GLU A 41 -24.695 -3.469 3.420 1.00 0.00 N ATOM 454 CA GLU A 41 -25.012 -3.352 4.848 1.00 0.00 C ATOM 455 C GLU A 41 -25.691 -4.629 5.327 1.00 0.00 C ATOM 456 O GLU A 41 -25.303 -5.210 6.338 1.00 0.00 O ATOM 457 CB GLU A 41 -25.989 -2.213 5.145 1.00 0.00 C ATOM 458 CG GLU A 41 -25.395 -0.818 4.923 1.00 0.00 C ATOM 459 CD GLU A 41 -26.477 0.237 5.147 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.640 -0.099 4.981 1.00 0.00 O ATOM 461 OE2 GLU A 41 -26.137 1.400 5.042 1.00 0.00 O ATOM 0 H GLU A 41 -25.153 -2.785 2.817 1.00 0.00 H new ATOM 0 HA GLU A 41 -24.065 -3.163 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.870 -2.328 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.325 -2.295 6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.563 -0.652 5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.997 -0.737 3.912 1.00 0.00 H new ATOM 468 N LEU A 42 -26.445 -5.197 4.398 1.00 0.00 N ATOM 469 CA LEU A 42 -26.969 -6.546 4.532 1.00 0.00 C ATOM 470 C LEU A 42 -25.849 -7.577 4.643 1.00 0.00 C ATOM 471 O LEU A 42 -25.817 -8.326 5.616 1.00 0.00 O ATOM 472 CB LEU A 42 -27.842 -6.812 3.297 1.00 0.00 C ATOM 473 CG LEU A 42 -28.318 -8.265 3.202 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.210 -8.639 4.393 1.00 0.00 C ATOM 475 CD2 LEU A 42 -29.073 -8.423 1.875 1.00 0.00 C ATOM 0 H LEU A 42 -26.711 -4.734 3.529 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.554 -6.634 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.709 -6.152 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.278 -6.561 2.399 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.463 -8.940 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.531 -9.676 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.649 -8.518 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -30.085 -7.989 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.426 -9.450 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -29.925 -7.743 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.405 -8.188 1.046 1.00 0.00 H new ATOM 487 N ALA A 43 -24.810 -7.433 3.825 1.00 0.00 N ATOM 488 CA ALA A 43 -23.694 -8.372 3.874 1.00 0.00 C ATOM 489 C ALA A 43 -22.953 -8.323 5.213 1.00 0.00 C ATOM 490 O ALA A 43 -22.395 -9.330 5.640 1.00 0.00 O ATOM 491 CB ALA A 43 -22.715 -8.091 2.727 1.00 0.00 C ATOM 0 H ALA A 43 -24.717 -6.690 3.133 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.111 -9.373 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.887 -8.798 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.231 -8.200 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.331 -7.075 2.817 1.00 0.00 H new ATOM 497 N LEU A 44 -22.770 -7.121 5.765 1.00 0.00 N ATOM 498 CA LEU A 44 -22.107 -6.971 7.063 1.00 0.00 C ATOM 499 C LEU A 44 -22.890 -7.629 8.199 1.00 0.00 C ATOM 500 O LEU A 44 -22.322 -8.383 8.991 1.00 0.00 O ATOM 501 CB LEU A 44 -21.912 -5.484 7.405 1.00 0.00 C ATOM 502 CG LEU A 44 -20.668 -4.885 6.733 1.00 0.00 C ATOM 503 CD1 LEU A 44 -19.420 -5.288 7.521 1.00 0.00 C ATOM 504 CD2 LEU A 44 -20.539 -5.338 5.277 1.00 0.00 C ATOM 0 H LEU A 44 -23.069 -6.244 5.338 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.142 -7.470 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.794 -4.924 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.827 -5.371 8.486 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.771 -3.800 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.536 -4.863 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.498 -4.914 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.336 -6.375 7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.647 -4.894 4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.460 -6.424 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.418 -5.019 4.717 1.00 0.00 H new ATOM 516 N LEU A 45 -24.210 -7.451 8.174 1.00 0.00 N ATOM 517 CA LEU A 45 -25.121 -8.112 9.109 1.00 0.00 C ATOM 518 C LEU A 45 -25.050 -9.625 8.903 1.00 0.00 C ATOM 519 O LEU A 45 -25.309 -10.398 9.820 1.00 0.00 O ATOM 520 CB LEU A 45 -26.552 -7.595 8.886 1.00 0.00 C ATOM 521 CG LEU A 45 -27.538 -8.246 9.864 1.00 0.00 C ATOM 522 CD1 LEU A 45 -27.185 -7.834 11.300 1.00 0.00 C ATOM 523 CD2 LEU A 45 -28.980 -7.836 9.531 1.00 0.00 C ATOM 0 H LEU A 45 -24.680 -6.843 7.503 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.829 -7.887 10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.574 -6.512 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -26.861 -7.804 7.862 1.00 0.00 H new ATOM 0 HG LEU A 45 -27.463 -9.330 9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.886 -8.297 11.994 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.172 -8.162 11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.245 -6.750 11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -29.664 -8.308 10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -29.076 -6.753 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -29.225 -8.156 8.518 1.00 0.00 H new ATOM 535 N VAL A 46 -25.009 -10.006 7.629 1.00 0.00 N ATOM 536 CA VAL A 46 -24.866 -11.402 7.230 1.00 0.00 C ATOM 537 C VAL A 46 -23.532 -11.964 7.727 1.00 0.00 C ATOM 538 O VAL A 46 -23.471 -13.110 8.167 1.00 0.00 O ATOM 539 CB VAL A 46 -24.982 -11.504 5.703 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.622 -12.909 5.213 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.416 -11.179 5.264 1.00 0.00 C ATOM 0 H VAL A 46 -25.074 -9.356 6.846 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.660 -11.997 7.681 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.284 -10.789 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.713 -12.950 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.597 -13.143 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.299 -13.636 5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.490 -11.254 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.106 -11.886 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.671 -10.166 5.576 1.00 0.00 H new ATOM 551 N GLN A 47 -22.455 -11.203 7.556 1.00 0.00 N ATOM 552 CA GLN A 47 -21.115 -11.715 7.833 1.00 0.00 C ATOM 553 C GLN A 47 -20.941 -12.059 9.310 1.00 0.00 C ATOM 554 O GLN A 47 -20.264 -13.035 9.635 1.00 0.00 O ATOM 555 CB GLN A 47 -20.078 -10.654 7.452 1.00 0.00 C ATOM 556 CG GLN A 47 -18.663 -11.198 7.653 1.00 0.00 C ATOM 557 CD GLN A 47 -17.645 -10.113 7.320 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.547 -10.445 6.703 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -17.804 -8.957 7.714 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.482 -10.237 7.230 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.975 -12.622 7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.216 -10.357 6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.221 -9.761 8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.533 -11.529 8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.503 -12.068 7.016 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.664 -8.697 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.076 -8.260 7.557 1.00 0.00 H new ATOM 568 N GLN A 48 -21.448 -11.205 10.197 1.00 0.00 N ATOM 569 CA GLN A 48 -21.366 -11.486 11.627 1.00 0.00 C ATOM 570 C GLN A 48 -22.189 -12.716 11.998 1.00 0.00 C ATOM 571 O GLN A 48 -21.727 -13.576 12.749 1.00 0.00 O ATOM 572 CB GLN A 48 -21.840 -10.270 12.431 1.00 0.00 C ATOM 573 CG GLN A 48 -23.336 -9.999 12.223 1.00 0.00 C ATOM 574 CD GLN A 48 -23.745 -8.731 12.967 1.00 0.00 C ATOM 575 OE1 GLN A 48 -23.115 -7.688 12.819 1.00 0.00 O ATOM 576 NE2 GLN A 48 -24.671 -8.799 13.882 1.00 0.00 N ATOM 0 H GLN A 48 -21.912 -10.329 9.957 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.324 -11.693 11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.644 -10.436 13.490 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.267 -9.392 12.134 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.550 -9.892 11.160 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.921 -10.846 12.582 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.199 -9.662 14.011 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.868 -7.989 14.469 1.00 0.00 H new ATOM 585 N LYS A 49 -23.403 -12.791 11.457 1.00 0.00 N ATOM 586 CA LYS A 49 -24.293 -13.935 11.651 1.00 0.00 C ATOM 587 C LYS A 49 -23.743 -15.230 11.060 1.00 0.00 C ATOM 588 O LYS A 49 -23.964 -16.310 11.601 1.00 0.00 O ATOM 589 CB LYS A 49 -25.653 -13.622 11.031 1.00 0.00 C ATOM 590 CG LYS A 49 -26.345 -12.511 11.827 1.00 0.00 C ATOM 591 CD LYS A 49 -27.693 -12.163 11.190 1.00 0.00 C ATOM 592 CE LYS A 49 -28.375 -11.062 12.004 1.00 0.00 C ATOM 593 NZ LYS A 49 -29.674 -10.701 11.368 1.00 0.00 N ATOM 0 H LYS A 49 -23.799 -12.057 10.869 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.384 -14.096 12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.527 -13.314 9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.274 -14.518 11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.494 -12.832 12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.710 -11.626 11.857 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.546 -11.832 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.328 -13.048 11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -28.541 -11.402 13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.730 -10.185 12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.088 -9.885 11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.516 -10.457 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.326 -11.509 11.428 1.00 0.00 H new ATOM 607 N ALA A 50 -23.195 -15.118 9.855 1.00 0.00 N ATOM 608 CA ALA A 50 -22.520 -16.238 9.211 1.00 0.00 C ATOM 609 C ALA A 50 -21.151 -16.482 9.840 1.00 0.00 C ATOM 610 O ALA A 50 -20.568 -17.554 9.667 1.00 0.00 O ATOM 611 CB ALA A 50 -22.379 -15.950 7.716 1.00 0.00 C ATOM 0 H ALA A 50 -23.205 -14.260 9.303 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.116 -17.140 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -21.875 -16.785 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.367 -15.818 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.794 -15.041 7.574 1.00 0.00 H new ATOM 617 N LYS A 51 -20.685 -15.519 10.636 1.00 0.00 N ATOM 618 CA LYS A 51 -19.417 -15.650 11.350 1.00 0.00 C ATOM 619 C LYS A 51 -18.283 -16.045 10.403 1.00 0.00 C ATOM 620 O LYS A 51 -17.383 -16.790 10.789 1.00 0.00 O ATOM 621 CB LYS A 51 -19.546 -16.660 12.494 1.00 0.00 C ATOM 622 CG LYS A 51 -18.710 -16.190 13.688 1.00 0.00 C ATOM 623 CD LYS A 51 -18.950 -17.105 14.895 1.00 0.00 C ATOM 624 CE LYS A 51 -18.095 -16.629 16.070 1.00 0.00 C ATOM 625 NZ LYS A 51 -18.348 -17.498 17.254 1.00 0.00 N ATOM 0 H LYS A 51 -21.170 -14.637 10.802 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.170 -14.677 11.774 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.591 -16.763 12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.209 -17.643 12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.652 -16.193 13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.972 -15.163 13.943 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.005 -17.094 15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.698 -18.135 14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.039 -16.661 15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.332 -15.592 16.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.766 -17.174 18.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.354 -17.446 17.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.101 -18.481 17.022 1.00 0.00 H new ATOM 639 N VAL A 52 -18.155 -15.299 9.310 1.00 0.00 N ATOM 640 CA VAL A 52 -17.183 -15.649 8.274 1.00 0.00 C ATOM 641 C VAL A 52 -16.054 -14.628 8.320 1.00 0.00 C ATOM 642 O VAL A 52 -16.296 -13.428 8.169 1.00 0.00 O ATOM 643 CB VAL A 52 -17.835 -15.607 6.883 1.00 0.00 C ATOM 644 CG1 VAL A 52 -17.008 -16.429 5.888 1.00 0.00 C ATOM 645 CG2 VAL A 52 -19.275 -16.120 6.953 1.00 0.00 C ATOM 0 H VAL A 52 -18.702 -14.460 9.118 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.809 -16.657 8.453 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.861 -14.574 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.479 -16.392 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.001 -16.016 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.955 -17.464 6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -19.723 -16.084 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.278 -17.148 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -19.852 -15.494 7.634 1.00 0.00 H new ATOM 655 N LYS A 53 -14.818 -15.117 8.363 1.00 0.00 N ATOM 656 CA LYS A 53 -13.677 -14.216 8.474 1.00 0.00 C ATOM 657 C LYS A 53 -13.053 -14.017 7.097 1.00 0.00 C ATOM 658 O LYS A 53 -12.425 -14.927 6.557 1.00 0.00 O ATOM 659 CB LYS A 53 -12.653 -14.790 9.463 1.00 0.00 C ATOM 660 CG LYS A 53 -11.486 -13.815 9.646 1.00 0.00 C ATOM 661 CD LYS A 53 -10.504 -14.393 10.670 1.00 0.00 C ATOM 662 CE LYS A 53 -9.345 -13.420 10.880 1.00 0.00 C ATOM 663 NZ LYS A 53 -8.399 -13.978 11.893 1.00 0.00 N ATOM 0 H LYS A 53 -14.584 -16.109 8.324 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.007 -13.248 8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.132 -14.979 10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.282 -15.748 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.982 -13.649 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.855 -12.847 9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.015 -14.574 11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.126 -15.354 10.323 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.825 -13.249 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.724 -12.454 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.611 -13.314 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.899 -14.119 12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.028 -14.889 11.556 1.00 0.00 H new ATOM 677 N ILE A 54 -12.990 -12.751 6.697 1.00 0.00 N ATOM 678 CA ILE A 54 -12.261 -12.353 5.500 1.00 0.00 C ATOM 679 C ILE A 54 -11.574 -11.015 5.768 1.00 0.00 C ATOM 680 O ILE A 54 -12.212 -9.964 5.726 1.00 0.00 O ATOM 681 CB ILE A 54 -13.252 -12.264 4.324 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.352 -11.229 4.630 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.849 -13.654 4.066 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.715 -11.610 4.040 1.00 0.00 C ATOM 0 H ILE A 54 -13.439 -11.979 7.189 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.494 -13.083 5.242 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.732 -11.933 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.448 -11.118 5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.050 -10.259 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.552 -13.600 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.050 -14.353 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.370 -13.998 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.447 -10.842 4.290 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.632 -11.693 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.036 -12.566 4.454 1.00 0.00 H new ATOM 696 N PRO A 55 -10.250 -11.009 5.976 1.00 0.00 N ATOM 697 CA PRO A 55 -9.489 -9.754 6.235 1.00 0.00 C ATOM 698 C PRO A 55 -9.449 -8.829 5.020 1.00 0.00 C ATOM 699 O PRO A 55 -8.900 -7.736 5.116 1.00 0.00 O ATOM 700 CB PRO A 55 -8.092 -10.231 6.642 1.00 0.00 C ATOM 701 CG PRO A 55 -7.946 -11.605 6.080 1.00 0.00 C ATOM 702 CD PRO A 55 -9.353 -12.176 5.880 1.00 0.00 C ATOM 0 HA PRO A 55 -9.961 -9.150 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.323 -9.565 6.250 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.983 -10.240 7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.406 -11.576 5.133 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.369 -12.236 6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.446 -12.668 4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.590 -12.920 6.640 1.00 0.00 H new ATOM 710 N ARG A 56 -9.726 -9.395 3.843 1.00 0.00 N ATOM 711 CA ARG A 56 -9.502 -8.684 2.586 1.00 0.00 C ATOM 712 C ARG A 56 -10.784 -8.515 1.766 1.00 0.00 C ATOM 713 O ARG A 56 -10.943 -7.480 1.116 1.00 0.00 O ATOM 714 CB ARG A 56 -8.414 -9.388 1.764 1.00 0.00 C ATOM 715 CG ARG A 56 -7.074 -9.270 2.505 1.00 0.00 C ATOM 716 CD ARG A 56 -5.961 -10.052 1.794 1.00 0.00 C ATOM 717 NE ARG A 56 -5.694 -9.496 0.468 1.00 0.00 N ATOM 718 CZ ARG A 56 -4.825 -8.507 0.265 1.00 0.00 C ATOM 719 NH1 ARG A 56 -4.304 -7.866 1.270 1.00 0.00 N ATOM 720 NH2 ARG A 56 -4.395 -8.254 -0.941 1.00 0.00 N ATOM 0 H ARG A 56 -10.103 -10.337 3.736 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.163 -7.680 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.672 -10.437 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.338 -8.937 0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.791 -8.220 2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.187 -9.643 3.523 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.051 -10.023 2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.249 -11.099 1.702 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.193 -9.881 -0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.560 -8.119 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.639 -7.110 1.104 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.724 -8.813 -1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.730 -7.497 -1.097 1.00 0.00 H new ATOM 734 N LYS A 57 -11.602 -9.554 1.635 1.00 0.00 N ATOM 735 CA LYS A 57 -12.627 -9.533 0.587 1.00 0.00 C ATOM 736 C LYS A 57 -13.666 -8.425 0.761 1.00 0.00 C ATOM 737 O LYS A 57 -14.113 -7.854 -0.230 1.00 0.00 O ATOM 738 CB LYS A 57 -13.416 -10.847 0.558 1.00 0.00 C ATOM 739 CG LYS A 57 -12.585 -12.032 0.064 1.00 0.00 C ATOM 740 CD LYS A 57 -13.474 -13.283 0.082 1.00 0.00 C ATOM 741 CE LYS A 57 -12.726 -14.475 -0.509 1.00 0.00 C ATOM 742 NZ LYS A 57 -11.551 -14.796 0.350 1.00 0.00 N ATOM 0 H LYS A 57 -11.583 -10.393 2.215 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.065 -9.366 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.788 -11.063 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.287 -10.727 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.215 -11.843 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.713 -12.176 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.778 -13.507 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.385 -13.098 -0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.389 -15.338 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.398 -14.246 -1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.181 -15.734 0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.810 -14.081 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.841 -14.798 1.349 1.00 0.00 H new ATOM 756 N TRP A 58 -14.164 -8.242 1.982 1.00 0.00 N ATOM 757 CA TRP A 58 -15.054 -7.120 2.273 1.00 0.00 C ATOM 758 C TRP A 58 -14.382 -6.061 3.140 1.00 0.00 C ATOM 759 O TRP A 58 -14.489 -4.870 2.861 1.00 0.00 O ATOM 760 CB TRP A 58 -16.316 -7.640 2.972 1.00 0.00 C ATOM 761 CG TRP A 58 -17.443 -7.721 1.987 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.917 -8.864 1.445 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.993 -6.646 1.167 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.977 -8.537 0.623 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.965 -7.198 0.292 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.560 -5.332 0.924 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.462 -6.474 -0.795 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.104 -4.588 -0.125 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.998 -5.172 -1.025 1.00 0.00 C ATOM 0 H TRP A 58 -13.969 -8.849 2.778 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.314 -6.647 1.326 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -16.126 -8.623 3.403 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.586 -6.978 3.795 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.534 -9.858 1.623 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.680 -9.202 0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -16.800 -4.894 1.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.197 -6.914 -1.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.830 -3.550 -0.242 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.330 -4.623 -1.894 1.00 0.00 H new ATOM 780 N LYS A 59 -13.481 -6.529 3.995 1.00 0.00 N ATOM 781 CA LYS A 59 -12.834 -5.674 4.989 1.00 0.00 C ATOM 782 C LYS A 59 -11.983 -4.587 4.338 1.00 0.00 C ATOM 783 O LYS A 59 -11.722 -3.561 4.963 1.00 0.00 O ATOM 784 CB LYS A 59 -11.995 -6.530 5.946 1.00 0.00 C ATOM 785 CG LYS A 59 -12.887 -7.451 6.789 1.00 0.00 C ATOM 786 CD LYS A 59 -13.755 -6.631 7.750 1.00 0.00 C ATOM 787 CE LYS A 59 -14.630 -7.571 8.584 1.00 0.00 C ATOM 788 NZ LYS A 59 -15.444 -6.781 9.549 1.00 0.00 N ATOM 0 H LYS A 59 -13.179 -7.503 4.021 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.614 -5.167 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.285 -7.129 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.412 -5.883 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.523 -8.048 6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.268 -8.148 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.123 -6.031 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.381 -5.938 7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.284 -8.149 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.004 -8.284 9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.036 -7.424 10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.813 -6.249 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.053 -6.118 9.028 1.00 0.00 H new ATOM 802 N ARG A 60 -11.268 -4.982 3.292 1.00 0.00 N ATOM 803 CA ARG A 60 -10.402 -4.058 2.569 1.00 0.00 C ATOM 804 C ARG A 60 -11.108 -3.413 1.381 1.00 0.00 C ATOM 805 O ARG A 60 -10.535 -2.543 0.730 1.00 0.00 O ATOM 806 CB ARG A 60 -9.170 -4.825 2.083 1.00 0.00 C ATOM 807 CG ARG A 60 -8.379 -5.339 3.291 1.00 0.00 C ATOM 808 CD ARG A 60 -7.754 -4.178 4.065 1.00 0.00 C ATOM 809 NE ARG A 60 -7.101 -4.681 5.269 1.00 0.00 N ATOM 810 CZ ARG A 60 -7.685 -4.610 6.468 1.00 0.00 C ATOM 811 NH1 ARG A 60 -8.873 -4.090 6.599 1.00 0.00 N ATOM 812 NH2 ARG A 60 -6.999 -4.895 7.540 1.00 0.00 N ATOM 0 H ARG A 60 -11.270 -5.934 2.926 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.118 -3.254 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.474 -5.660 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.542 -4.176 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.038 -5.907 3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.598 -6.021 2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.030 -3.659 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.522 -3.452 4.333 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.173 -5.098 5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.366 -3.732 5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.310 -4.041 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.020 -5.171 7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.441 -4.842 8.458 1.00 0.00 H new ATOM 826 N ARG A 61 -12.341 -3.838 1.106 1.00 0.00 N ATOM 827 CA ARG A 61 -13.055 -3.354 -0.074 1.00 0.00 C ATOM 828 C ARG A 61 -14.363 -2.668 0.310 1.00 0.00 C ATOM 829 O ARG A 61 -15.282 -2.651 -0.503 1.00 0.00 O ATOM 830 CB ARG A 61 -13.338 -4.515 -1.032 1.00 0.00 C ATOM 831 CG ARG A 61 -12.006 -4.990 -1.621 1.00 0.00 C ATOM 832 CD ARG A 61 -12.208 -6.169 -2.573 1.00 0.00 C ATOM 833 NE ARG A 61 -10.904 -6.582 -3.088 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.763 -7.368 -4.153 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.769 -8.077 -4.584 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.560 -7.676 -4.556 1.00 0.00 N ATOM 0 H ARG A 61 -12.860 -4.507 1.675 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.420 -2.620 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.832 -5.331 -0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.012 -4.195 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.528 -4.168 -2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.333 -5.282 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.689 -6.997 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.866 -5.884 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.065 -6.253 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.668 -8.031 -4.105 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.657 -8.678 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.747 -7.316 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.433 -8.277 -5.370 1.00 0.00 H new ATOM 850 N TYR A 62 -14.344 -1.867 1.373 1.00 0.00 N ATOM 851 CA TYR A 62 -15.564 -1.175 1.788 1.00 0.00 C ATOM 852 C TYR A 62 -15.254 0.196 2.390 1.00 0.00 C ATOM 853 O TYR A 62 -14.113 0.494 2.745 1.00 0.00 O ATOM 854 CB TYR A 62 -16.355 -2.029 2.789 1.00 0.00 C ATOM 855 CG TYR A 62 -15.850 -1.856 4.208 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.650 -2.460 4.603 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.778 -1.492 5.203 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.200 -2.281 5.921 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.421 -1.573 6.551 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.104 -1.873 6.904 1.00 0.00 C ATOM 861 OH TYR A 62 -14.718 -1.856 8.228 1.00 0.00 O ATOM 0 H TYR A 62 -13.523 -1.683 1.949 1.00 0.00 H new ATOM 0 HA TYR A 62 -16.173 -1.020 0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.409 -1.757 2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.285 -3.079 2.505 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.079 -3.054 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.764 -1.151 4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.164 -2.457 6.172 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.162 -1.404 7.318 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.464 -1.546 8.782 1.00 0.00 H new ATOM 871 N CYS A 63 -16.277 1.050 2.431 1.00 0.00 N ATOM 872 CA CYS A 63 -16.220 2.295 3.197 1.00 0.00 C ATOM 873 C CYS A 63 -16.601 2.076 4.655 1.00 0.00 C ATOM 874 O CYS A 63 -17.594 1.410 4.956 1.00 0.00 O ATOM 875 CB CYS A 63 -17.143 3.355 2.587 1.00 0.00 C ATOM 876 SG CYS A 63 -17.168 4.840 3.632 1.00 0.00 S ATOM 0 H CYS A 63 -17.159 0.901 1.940 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.189 2.646 3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -16.801 3.612 1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.152 2.955 2.487 1.00 0.00 H new ATOM 0 HG CYS A 63 -17.343 5.891 2.888 1.00 0.00 H new ATOM 881 N LYS A 64 -15.994 2.902 5.500 1.00 0.00 N ATOM 882 CA LYS A 64 -16.250 2.865 6.932 1.00 0.00 C ATOM 883 C LYS A 64 -17.705 3.208 7.224 1.00 0.00 C ATOM 884 O LYS A 64 -18.293 2.663 8.160 1.00 0.00 O ATOM 885 CB LYS A 64 -15.368 3.898 7.637 1.00 0.00 C ATOM 886 CG LYS A 64 -13.892 3.500 7.553 1.00 0.00 C ATOM 887 CD LYS A 64 -13.048 4.560 8.268 1.00 0.00 C ATOM 888 CE LYS A 64 -11.570 4.180 8.197 1.00 0.00 C ATOM 889 NZ LYS A 64 -10.744 5.227 8.870 1.00 0.00 N ATOM 0 H LYS A 64 -15.317 3.609 5.214 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.030 1.860 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.512 4.877 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.667 3.986 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.739 2.524 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.584 3.414 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.205 5.535 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.361 4.646 9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.410 3.214 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.262 4.074 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.739 4.963 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.887 6.141 8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.030 5.307 9.867 1.00 0.00 H new ATOM 903 N LYS A 65 -18.242 4.190 6.494 1.00 0.00 N ATOM 904 CA LYS A 65 -19.663 4.515 6.607 1.00 0.00 C ATOM 905 C LYS A 65 -20.530 4.007 5.446 1.00 0.00 C ATOM 906 O LYS A 65 -21.680 3.670 5.707 1.00 0.00 O ATOM 907 CB LYS A 65 -19.893 6.012 6.849 1.00 0.00 C ATOM 908 CG LYS A 65 -21.396 6.248 7.073 1.00 0.00 C ATOM 909 CD LYS A 65 -21.712 7.710 7.404 1.00 0.00 C ATOM 910 CE LYS A 65 -23.216 7.844 7.665 1.00 0.00 C ATOM 911 NZ LYS A 65 -23.979 7.410 6.449 1.00 0.00 N ATOM 0 H LYS A 65 -17.723 4.764 5.830 1.00 0.00 H new ATOM 0 HA LYS A 65 -19.998 3.965 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.324 6.347 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.542 6.591 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -21.945 5.953 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.745 5.610 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.147 8.029 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.413 8.357 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.502 7.235 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.462 8.877 7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.883 7.923 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.421 7.618 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -24.163 6.388 6.501 1.00 0.00 H new ATOM 925 N CYS A 66 -20.045 3.875 4.196 1.00 0.00 N ATOM 926 CA CYS A 66 -21.008 3.488 3.153 1.00 0.00 C ATOM 927 C CYS A 66 -21.453 2.063 3.425 1.00 0.00 C ATOM 928 O CYS A 66 -22.382 1.626 2.758 1.00 0.00 O ATOM 929 CB CYS A 66 -20.519 3.389 1.692 1.00 0.00 C ATOM 930 SG CYS A 66 -19.717 4.809 0.908 1.00 0.00 S ATOM 0 H CYS A 66 -19.079 4.016 3.901 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.743 4.290 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -19.821 2.553 1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.381 3.124 1.079 1.00 0.00 H new ATOM 0 HG CYS A 66 -18.763 5.247 1.675 1.00 0.00 H new ATOM 935 N HIS A 67 -20.493 1.266 3.878 1.00 0.00 N ATOM 936 CA HIS A 67 -20.737 -0.162 3.964 1.00 0.00 C ATOM 937 C HIS A 67 -20.944 -0.642 2.530 1.00 0.00 C ATOM 938 O HIS A 67 -22.096 -0.892 2.195 1.00 0.00 O ATOM 939 CB HIS A 67 -21.947 -0.456 4.862 1.00 0.00 C ATOM 940 CG HIS A 67 -21.648 -0.021 6.273 1.00 0.00 C ATOM 941 ND1 HIS A 67 -20.679 -0.637 7.054 1.00 0.00 N ATOM 942 CD2 HIS A 67 -22.068 1.069 7.000 1.00 0.00 C ATOM 943 CE1 HIS A 67 -20.407 0.196 8.074 1.00 0.00 C ATOM 944 NE2 HIS A 67 -21.313 1.174 8.165 1.00 0.00 N ATOM 0 H HIS A 67 -19.569 1.573 4.182 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.901 -0.691 4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.826 0.069 4.488 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -22.178 -1.521 4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -22.863 1.741 6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -19.561 0.088 8.737 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -21.426 1.849 8.921 1.00 0.00 H new ATOM 953 N ALA A 68 -20.153 -0.017 1.661 1.00 0.00 N ATOM 954 CA ALA A 68 -20.292 -0.178 0.214 1.00 0.00 C ATOM 955 C ALA A 68 -18.921 -0.510 -0.355 1.00 0.00 C ATOM 956 O ALA A 68 -17.933 0.055 0.114 1.00 0.00 O ATOM 957 CB ALA A 68 -20.842 1.087 -0.457 1.00 0.00 C ATOM 0 H ALA A 68 -19.400 0.613 1.938 1.00 0.00 H new ATOM 0 HA ALA A 68 -21.005 -0.978 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.928 0.921 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.824 1.319 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.165 1.921 -0.272 1.00 0.00 H new ATOM 963 N PHE A 69 -18.897 -1.123 -1.534 1.00 0.00 N ATOM 964 CA PHE A 69 -17.628 -1.525 -2.137 1.00 0.00 C ATOM 965 C PHE A 69 -16.781 -0.279 -2.368 1.00 0.00 C ATOM 966 O PHE A 69 -17.348 0.798 -2.488 1.00 0.00 O ATOM 967 CB PHE A 69 -17.879 -2.226 -3.478 1.00 0.00 C ATOM 968 CG PHE A 69 -16.749 -3.178 -3.793 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.511 -2.636 -4.142 1.00 0.00 C ATOM 970 CD2 PHE A 69 -17.057 -4.482 -4.223 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.475 -3.488 -4.525 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.112 -5.197 -4.976 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.788 -4.737 -5.061 1.00 0.00 C ATOM 0 H PHE A 69 -19.725 -1.350 -2.084 1.00 0.00 H new ATOM 0 HA PHE A 69 -17.111 -2.215 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.822 -2.771 -3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -17.971 -1.485 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.357 -1.567 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -18.009 -4.928 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.445 -3.185 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.403 -6.101 -5.490 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.026 -5.339 -5.533 1.00 0.00 H new ATOM 983 N LEU A 70 -15.518 -0.321 -1.956 1.00 0.00 N ATOM 984 CA LEU A 70 -14.696 0.876 -2.085 1.00 0.00 C ATOM 985 C LEU A 70 -13.761 0.695 -3.278 1.00 0.00 C ATOM 986 O LEU A 70 -12.652 0.180 -3.153 1.00 0.00 O ATOM 987 CB LEU A 70 -13.927 1.082 -0.772 1.00 0.00 C ATOM 988 CG LEU A 70 -13.413 2.520 -0.602 1.00 0.00 C ATOM 989 CD1 LEU A 70 -12.534 2.978 -1.771 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.621 3.455 -0.436 1.00 0.00 C ATOM 0 H LEU A 70 -15.057 -1.133 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.302 1.764 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.576 0.832 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.083 0.393 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.779 2.553 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.200 4.001 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.667 2.322 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.109 2.937 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.273 4.481 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.256 3.390 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.192 3.159 0.444 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.147 1.362 -4.364 1.00 0.00 N ATOM 1003 CA VAL A 71 -13.296 1.609 -5.521 1.00 0.00 C ATOM 1004 C VAL A 71 -13.490 3.058 -5.950 1.00 0.00 C ATOM 1005 O VAL A 71 -14.627 3.524 -6.017 1.00 0.00 O ATOM 1006 CB VAL A 71 -13.704 0.655 -6.650 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -13.020 1.039 -7.967 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -13.312 -0.780 -6.277 1.00 0.00 C ATOM 0 H VAL A 71 -15.083 1.754 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.247 1.438 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.783 0.725 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.326 0.347 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.308 2.053 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.938 0.991 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.603 -1.457 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.234 -0.836 -6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.821 -1.069 -5.357 1.00 0.00 H new ATOM 1018 N PRO A 72 -12.419 3.828 -6.191 1.00 0.00 N ATOM 1019 CA PRO A 72 -12.585 5.215 -6.709 1.00 0.00 C ATOM 1020 C PRO A 72 -13.264 5.243 -8.077 1.00 0.00 C ATOM 1021 O PRO A 72 -12.875 4.510 -8.987 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.158 5.768 -6.774 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.317 4.864 -5.930 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.009 3.499 -5.913 1.00 0.00 C ATOM 0 HA PRO A 72 -13.234 5.813 -6.069 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.796 5.788 -7.802 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.121 6.792 -6.403 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.310 4.781 -6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.219 5.260 -4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.596 2.830 -6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.895 3.002 -4.950 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.088 6.271 -8.258 1.00 0.00 N ATOM 1033 CA GLY A 73 -14.787 6.539 -9.515 1.00 0.00 C ATOM 1034 C GLY A 73 -16.233 6.038 -9.519 1.00 0.00 C ATOM 1035 O GLY A 73 -16.943 6.294 -10.494 1.00 0.00 O ATOM 0 H GLY A 73 -14.293 6.952 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.781 7.612 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.243 6.067 -10.333 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.571 5.137 -8.598 1.00 0.00 N ATOM 1040 CA ILE A 74 -17.860 4.450 -8.670 1.00 0.00 C ATOM 1041 C ILE A 74 -18.879 4.948 -7.635 1.00 0.00 C ATOM 1042 O ILE A 74 -19.726 5.783 -7.955 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.620 2.942 -8.513 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.812 2.445 -9.719 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.964 2.213 -8.422 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.312 1.013 -9.507 1.00 0.00 C ATOM 0 H ILE A 74 -15.984 4.869 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.300 4.672 -9.642 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.061 2.741 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.431 2.487 -10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -15.963 3.107 -9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.791 1.143 -8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.520 2.582 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.539 2.395 -9.330 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.744 0.693 -10.380 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -15.672 0.978 -8.625 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.164 0.348 -9.364 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.689 4.559 -6.370 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.498 5.077 -5.261 1.00 0.00 C ATOM 1060 C ASN A 75 -18.805 6.225 -4.551 1.00 0.00 C ATOM 1061 O ASN A 75 -19.309 6.766 -3.568 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.755 3.983 -4.222 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.459 3.537 -3.541 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -17.362 3.800 -4.033 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -18.520 3.055 -2.330 1.00 0.00 N ATOM 0 H ASN A 75 -17.979 3.884 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.435 5.424 -5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.454 4.351 -3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.227 3.127 -4.704 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.663 2.899 -1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.425 2.834 -1.914 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.574 6.440 -4.975 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.637 7.281 -4.259 1.00 0.00 C ATOM 1074 C ALA A 76 -15.588 7.703 -5.270 1.00 0.00 C ATOM 1075 O ALA A 76 -15.150 6.878 -6.064 1.00 0.00 O ATOM 1076 CB ALA A 76 -15.994 6.518 -3.095 1.00 0.00 C ATOM 0 H ALA A 76 -17.195 6.033 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.139 8.146 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.295 7.172 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.769 6.190 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.460 5.649 -3.480 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.015 8.875 -5.059 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.074 9.435 -6.013 1.00 0.00 C ATOM 1084 C ARG A 77 -12.831 9.912 -5.277 1.00 0.00 C ATOM 1085 O ARG A 77 -12.933 10.557 -4.241 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.753 10.565 -6.787 1.00 0.00 C ATOM 1087 CG ARG A 77 -13.890 10.977 -7.983 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.555 12.123 -8.748 1.00 0.00 C ATOM 1089 NE ARG A 77 -15.806 11.653 -9.326 1.00 0.00 N ATOM 1090 CZ ARG A 77 -15.838 10.991 -10.476 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -14.731 10.667 -11.084 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -16.973 10.523 -10.908 1.00 0.00 N ATOM 0 H ARG A 77 -15.184 9.456 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.762 8.678 -6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.735 10.241 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.912 11.421 -6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.903 11.285 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.745 10.124 -8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.743 12.962 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -13.891 12.485 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.681 11.837 -8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.832 10.922 -10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.764 10.158 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.824 10.667 -10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.012 10.012 -11.790 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.684 9.710 -5.909 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.416 10.076 -5.299 1.00 0.00 C ATOM 1108 C VAL A 78 -9.678 11.031 -6.227 1.00 0.00 C ATOM 1109 O VAL A 78 -9.811 10.938 -7.445 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.586 8.814 -5.038 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.035 8.242 -6.350 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.428 9.154 -4.099 1.00 0.00 C ATOM 0 H VAL A 78 -11.606 9.297 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.587 10.574 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.228 8.063 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.450 7.347 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.863 7.987 -7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.401 8.985 -6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.836 8.258 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.798 9.915 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.823 9.531 -3.156 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.208 12.120 -5.635 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.260 12.994 -6.310 1.00 0.00 C ATOM 1124 C ARG A 79 -6.872 12.667 -5.785 1.00 0.00 C ATOM 1125 O ARG A 79 -6.693 12.478 -4.584 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.575 14.463 -6.020 1.00 0.00 C ATOM 1127 CG ARG A 79 -9.946 14.829 -6.604 1.00 0.00 C ATOM 1128 CD ARG A 79 -10.296 16.284 -6.286 1.00 0.00 C ATOM 1129 NE ARG A 79 -10.528 16.453 -4.852 1.00 0.00 N ATOM 1130 CZ ARG A 79 -10.834 17.639 -4.338 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -11.240 18.590 -5.132 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -11.073 17.734 -3.059 1.00 0.00 N ATOM 0 H ARG A 79 -9.466 12.418 -4.694 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.321 12.838 -7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.569 14.640 -4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.804 15.101 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.939 14.679 -7.684 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.710 14.168 -6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.486 16.938 -6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.186 16.580 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.453 15.645 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.319 18.418 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.478 19.506 -4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.024 16.904 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.309 18.638 -2.650 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.910 12.582 -6.696 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.535 12.351 -6.285 1.00 0.00 C ATOM 1148 C LEU A 80 -3.783 13.661 -6.482 1.00 0.00 C ATOM 1149 O LEU A 80 -3.825 14.246 -7.563 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.932 11.254 -7.170 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.824 10.005 -7.116 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -5.979 10.132 -8.120 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -3.999 8.749 -7.415 1.00 0.00 C ATOM 0 H LEU A 80 -6.053 12.668 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.473 12.032 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.845 11.608 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.925 11.010 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.241 9.918 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.603 9.240 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.579 11.009 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.576 10.238 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.644 7.871 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.560 8.830 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.205 8.651 -6.675 1.00 0.00 H new ATOM 1165 N ARG A 81 -3.198 14.161 -5.397 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.535 15.463 -5.424 1.00 0.00 C ATOM 1167 C ARG A 81 -1.025 15.276 -5.409 1.00 0.00 C ATOM 1168 O ARG A 81 -0.490 14.690 -4.466 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.985 16.334 -4.246 1.00 0.00 C ATOM 1170 CG ARG A 81 -4.482 16.638 -4.395 1.00 0.00 C ATOM 1171 CD ARG A 81 -5.010 17.439 -3.203 1.00 0.00 C ATOM 1172 NE ARG A 81 -4.401 18.768 -3.162 1.00 0.00 N ATOM 1173 CZ ARG A 81 -4.605 19.602 -2.147 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -5.306 19.223 -1.119 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -4.315 20.865 -2.279 1.00 0.00 N ATOM 0 H ARG A 81 -3.169 13.689 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.818 15.977 -6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.797 15.820 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.413 17.261 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.651 17.197 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.038 15.704 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.094 17.532 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.795 16.906 -2.277 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.803 19.063 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.701 18.283 -1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.460 19.866 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.933 21.211 -3.159 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.470 21.508 -1.502 1.00 0.00 H new ATOM 1189 N GLN A 82 -0.344 16.033 -6.263 1.00 0.00 N ATOM 1190 CA GLN A 82 1.096 15.868 -6.418 1.00 0.00 C ATOM 1191 C GLN A 82 1.822 17.104 -5.896 1.00 0.00 C ATOM 1192 O GLN A 82 2.118 18.055 -6.618 1.00 0.00 O ATOM 1193 CB GLN A 82 1.426 15.590 -7.884 1.00 0.00 C ATOM 1194 CG GLN A 82 0.876 14.212 -8.271 1.00 0.00 C ATOM 1195 CD GLN A 82 1.110 13.929 -9.753 1.00 0.00 C ATOM 1196 OE1 GLN A 82 0.564 14.620 -10.612 1.00 0.00 O ATOM 1197 NE2 GLN A 82 1.778 12.866 -10.112 1.00 0.00 N ATOM 0 H GLN A 82 -0.759 16.756 -6.850 1.00 0.00 H new ATOM 0 HA GLN A 82 1.436 15.015 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.990 16.361 -8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.504 15.621 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.358 13.442 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.191 14.167 -8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.234 12.288 -9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.844 12.614 -11.098 1.00 0.00 H new ATOM 1206 N LYS A 83 2.339 16.887 -4.697 1.00 0.00 N ATOM 1207 CA LYS A 83 3.265 17.761 -3.987 1.00 0.00 C ATOM 1208 C LYS A 83 4.354 16.842 -3.450 1.00 0.00 C ATOM 1209 O LYS A 83 4.196 15.623 -3.563 1.00 0.00 O ATOM 1210 CB LYS A 83 2.530 18.470 -2.843 1.00 0.00 C ATOM 1211 CG LYS A 83 1.483 19.419 -3.425 1.00 0.00 C ATOM 1212 CD LYS A 83 0.712 20.086 -2.283 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.391 20.968 -2.865 1.00 0.00 C ATOM 1214 NZ LYS A 83 0.220 22.117 -3.600 1.00 0.00 N ATOM 0 H LYS A 83 2.112 16.049 -4.161 1.00 0.00 H new ATOM 0 HA LYS A 83 3.683 18.537 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.052 17.737 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.239 19.025 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.966 20.176 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.797 18.870 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.280 19.328 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.389 20.685 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.019 20.385 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.036 21.336 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.501 22.850 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.999 22.514 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.587 21.788 -4.516 1.00 0.00 H new ATOM 1228 N ARG A 84 5.494 17.349 -2.993 1.00 0.00 N ATOM 1229 CA ARG A 84 6.378 16.372 -2.367 1.00 0.00 C ATOM 1230 C ARG A 84 5.875 16.197 -0.936 1.00 0.00 C ATOM 1231 O ARG A 84 6.680 15.976 -0.033 1.00 0.00 O ATOM 1232 CB ARG A 84 7.741 17.058 -2.274 1.00 0.00 C ATOM 1233 CG ARG A 84 8.327 17.362 -3.658 1.00 0.00 C ATOM 1234 CD ARG A 84 9.637 18.130 -3.478 1.00 0.00 C ATOM 1235 NE ARG A 84 10.222 18.481 -4.770 1.00 0.00 N ATOM 1236 CZ ARG A 84 11.243 19.327 -4.873 1.00 0.00 C ATOM 1237 NH1 ARG A 84 11.888 19.727 -3.814 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.517 19.857 -6.030 1.00 0.00 N ATOM 0 H ARG A 84 5.806 18.319 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 84 6.419 15.424 -2.904 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.642 17.986 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.431 16.421 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.504 16.436 -4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.622 17.950 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.455 19.036 -2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.342 17.524 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 84 9.836 18.065 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.612 19.391 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.669 20.376 -3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.951 19.622 -6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.298 20.507 -6.121 1.00 0.00 H new ATOM 1252 N MET A 85 4.602 15.807 -0.864 1.00 0.00 N ATOM 1253 CA MET A 85 3.988 14.927 0.123 1.00 0.00 C ATOM 1254 C MET A 85 2.869 14.194 -0.614 1.00 0.00 C ATOM 1255 O MET A 85 2.012 14.886 -1.171 1.00 0.00 O ATOM 1256 CB MET A 85 3.374 15.794 1.229 1.00 0.00 C ATOM 1257 CG MET A 85 4.459 16.626 1.924 1.00 0.00 C ATOM 1258 SD MET A 85 4.740 18.148 0.983 1.00 0.00 S ATOM 1259 CE MET A 85 5.528 19.116 2.297 1.00 0.00 C ATOM 0 H MET A 85 3.920 16.126 -1.552 1.00 0.00 H new ATOM 0 HA MET A 85 4.704 14.234 0.564 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.618 16.454 0.804 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.870 15.160 1.959 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.153 16.866 2.942 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.383 16.053 1.995 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.784 20.105 1.917 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.840 19.217 3.137 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.434 18.609 2.629 1.00 0.00 H new ATOM 1269 N PRO A 86 2.864 12.875 -0.812 1.00 0.00 N ATOM 1270 CA PRO A 86 1.685 12.266 -1.493 1.00 0.00 C ATOM 1271 C PRO A 86 0.420 12.495 -0.661 1.00 0.00 C ATOM 1272 O PRO A 86 0.382 12.131 0.513 1.00 0.00 O ATOM 1273 CB PRO A 86 2.058 10.784 -1.612 1.00 0.00 C ATOM 1274 CG PRO A 86 3.542 10.713 -1.430 1.00 0.00 C ATOM 1275 CD PRO A 86 3.935 11.902 -0.552 1.00 0.00 C ATOM 0 HA PRO A 86 1.465 12.699 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.544 10.191 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.765 10.385 -2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.830 9.773 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.052 10.757 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.983 11.627 0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.914 12.298 -0.823 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.676 12.812 -1.351 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.994 12.949 -0.730 1.00 0.00 C ATOM 1285 C HIS A 87 -3.089 12.474 -1.682 1.00 0.00 C ATOM 1286 O HIS A 87 -3.105 12.882 -2.844 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.230 14.413 -0.337 1.00 0.00 C ATOM 1288 CG HIS A 87 -1.603 14.714 0.998 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -0.291 14.832 1.393 1.00 0.00 N flip ATOM 1290 CD2 HIS A 87 -2.317 14.536 2.169 1.00 0.00 C flip ATOM 1291 CE1 HIS A 87 -0.214 14.779 2.784 1.00 0.00 C flip ATOM 1292 NE2 HIS A 87 -1.485 14.812 3.184 1.00 0.00 N flip ATOM 0 H HIS A 87 -0.675 12.981 -2.357 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.027 12.328 0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.810 15.071 -1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.300 14.615 -0.296 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.350 14.232 2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.673 14.724 3.397 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -1.785 15.020 4.136 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.098 11.795 -1.142 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.331 11.538 -1.884 1.00 0.00 C ATOM 1303 C ILE A 88 -6.556 11.922 -1.050 1.00 0.00 C ATOM 1304 O ILE A 88 -6.503 11.879 0.177 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.400 10.068 -2.316 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.438 9.141 -1.096 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.157 9.749 -3.155 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.693 7.698 -1.544 1.00 0.00 C ATOM 0 H ILE A 88 -4.087 11.413 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.329 12.157 -2.781 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.309 9.909 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.495 9.201 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.222 9.461 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.189 8.706 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.135 10.394 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.261 9.919 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.719 7.045 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.648 7.643 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.894 7.378 -2.213 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.599 12.425 -1.707 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.853 12.730 -1.016 1.00 0.00 C ATOM 1322 C VAL A 89 -10.018 11.918 -1.592 1.00 0.00 C ATOM 1323 O VAL A 89 -10.385 12.088 -2.749 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.155 14.233 -1.080 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.176 14.995 -0.183 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.012 14.749 -2.512 1.00 0.00 C ATOM 0 H VAL A 89 -7.603 12.629 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.735 12.446 0.030 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.178 14.392 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.394 16.062 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.280 14.649 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.156 14.817 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.230 15.817 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.993 14.578 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.711 14.220 -3.161 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.766 11.302 -0.676 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.790 10.316 -1.008 1.00 0.00 C ATOM 1338 C VAL A 90 -13.130 10.798 -0.466 1.00 0.00 C ATOM 1339 O VAL A 90 -13.310 10.849 0.750 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.427 8.974 -0.357 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.600 7.987 -0.436 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.195 8.380 -1.045 1.00 0.00 C ATOM 0 H VAL A 90 -10.676 11.476 0.325 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.853 10.190 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.204 9.152 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.315 7.045 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.462 8.405 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.857 7.810 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.942 7.428 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.410 8.221 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.355 9.068 -0.945 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.136 10.759 -1.336 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.503 11.070 -0.943 1.00 0.00 C ATOM 1354 C LYS A 91 -16.431 9.991 -1.484 1.00 0.00 C ATOM 1355 O LYS A 91 -16.448 9.769 -2.689 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.985 12.446 -1.438 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.513 12.832 -2.853 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.995 13.067 -2.932 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.568 13.486 -4.341 1.00 0.00 C ATOM 1360 NZ LYS A 91 -12.089 13.688 -4.355 1.00 0.00 N ATOM 0 H LYS A 91 -14.027 10.514 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.522 11.103 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.075 12.461 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.643 13.208 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.791 12.043 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.033 13.736 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.707 13.839 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.469 12.156 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.851 12.721 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -14.077 14.405 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.874 14.655 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.710 13.546 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.651 13.004 -5.005 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.382 9.573 -0.653 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.388 8.606 -1.083 1.00 0.00 C ATOM 1376 C CYS A 92 -19.738 9.298 -1.198 1.00 0.00 C ATOM 1377 O CYS A 92 -20.219 9.857 -0.212 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.517 7.454 -0.087 1.00 0.00 C ATOM 1379 SG CYS A 92 -17.859 7.874 1.546 1.00 0.00 S ATOM 0 H CYS A 92 -17.477 9.885 0.313 1.00 0.00 H new ATOM 0 HA CYS A 92 -18.075 8.204 -2.047 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -19.567 7.176 0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.990 6.582 -0.474 1.00 0.00 H new ATOM 0 HG CYS A 92 -18.605 7.337 2.466 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.457 8.979 -2.267 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.807 9.492 -2.475 1.00 0.00 C ATOM 1386 C LEU A 93 -22.762 9.007 -1.384 1.00 0.00 C ATOM 1387 O LEU A 93 -23.730 9.695 -1.070 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.281 9.104 -3.884 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.468 9.903 -4.916 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.713 9.365 -6.332 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.840 11.387 -4.846 1.00 0.00 C ATOM 0 H LEU A 93 -20.125 8.363 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.798 10.580 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -22.149 8.034 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.345 9.315 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.409 9.791 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -21.129 9.944 -7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -21.413 8.318 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.772 9.450 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.258 11.943 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.902 11.506 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.625 11.769 -3.848 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.635 7.739 -1.001 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.578 7.159 -0.044 1.00 0.00 C ATOM 1405 C GLU A 94 -23.482 7.788 1.348 1.00 0.00 C ATOM 1406 O GLU A 94 -24.491 7.917 2.038 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.338 5.651 0.100 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.653 4.947 -1.223 1.00 0.00 C ATOM 1409 CD GLU A 94 -25.120 5.142 -1.588 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -25.962 5.039 -0.710 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -25.357 5.589 -2.694 1.00 0.00 O ATOM 0 H GLU A 94 -21.907 7.104 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.571 7.361 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.303 5.464 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.965 5.248 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.018 5.344 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.430 3.883 -1.139 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.258 8.016 1.816 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.036 8.823 3.016 1.00 0.00 C ATOM 1420 C CYS A 95 -22.194 10.316 2.741 1.00 0.00 C ATOM 1421 O CYS A 95 -22.581 11.074 3.631 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.663 8.507 3.619 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.543 6.728 3.942 1.00 0.00 S ATOM 0 H CYS A 95 -21.406 7.656 1.386 1.00 0.00 H new ATOM 0 HA CYS A 95 -22.804 8.559 3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -19.873 8.818 2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.522 9.066 4.544 1.00 0.00 H new ATOM 0 HG CYS A 95 -20.253 6.105 2.838 1.00 0.00 H new ATOM 1428 N GLY A 96 -21.847 10.728 1.528 1.00 0.00 N ATOM 1429 CA GLY A 96 -21.911 12.135 1.148 1.00 0.00 C ATOM 1430 C GLY A 96 -20.704 12.898 1.691 1.00 0.00 C ATOM 1431 O GLY A 96 -20.658 14.122 1.612 1.00 0.00 O ATOM 0 H GLY A 96 -21.518 10.107 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.944 12.222 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.830 12.579 1.531 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.715 12.155 2.186 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.673 12.715 3.048 1.00 0.00 C ATOM 1437 C HIS A 97 -17.288 12.523 2.441 1.00 0.00 C ATOM 1438 O HIS A 97 -17.096 11.657 1.591 1.00 0.00 O ATOM 1439 CB HIS A 97 -18.723 12.109 4.453 1.00 0.00 C ATOM 1440 CG HIS A 97 -20.032 12.484 5.095 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -20.371 13.805 5.350 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.940 11.755 5.818 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -21.616 13.798 5.858 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -22.052 12.551 6.069 1.00 0.00 N ATOM 0 H HIS A 97 -19.613 11.157 2.004 1.00 0.00 H new ATOM 0 HA HIS A 97 -18.867 13.784 3.130 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -18.625 11.025 4.400 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -17.890 12.476 5.052 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -20.813 10.732 6.139 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -22.192 14.687 6.069 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.986 12.253 6.350 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.404 13.475 2.735 1.00 0.00 N ATOM 1454 CA ILE A 98 -15.072 13.535 2.139 1.00 0.00 C ATOM 1455 C ILE A 98 -13.991 13.294 3.190 1.00 0.00 C ATOM 1456 O ILE A 98 -14.130 13.683 4.348 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.864 14.896 1.457 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.407 15.104 1.017 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -15.278 16.020 2.415 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -12.885 13.947 0.159 1.00 0.00 C ATOM 0 H ILE A 98 -16.593 14.229 3.396 1.00 0.00 H new ATOM 0 HA ILE A 98 -14.993 12.747 1.390 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.486 14.916 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.330 16.034 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -12.776 15.212 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.130 16.985 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.329 15.904 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.670 15.971 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.851 14.143 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.935 13.020 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.497 13.854 -0.738 1.00 0.00 H new ATOM 1472 N MET A 99 -13.079 12.398 2.822 1.00 0.00 N ATOM 1473 CA MET A 99 -11.956 12.016 3.671 1.00 0.00 C ATOM 1474 C MET A 99 -10.653 12.383 2.975 1.00 0.00 C ATOM 1475 O MET A 99 -10.463 12.072 1.804 1.00 0.00 O ATOM 1476 CB MET A 99 -11.985 10.501 3.894 1.00 0.00 C ATOM 1477 CG MET A 99 -13.204 10.110 4.733 1.00 0.00 C ATOM 1478 SD MET A 99 -13.272 8.306 4.901 1.00 0.00 S ATOM 1479 CE MET A 99 -11.828 8.083 5.968 1.00 0.00 C ATOM 0 H MET A 99 -13.099 11.915 1.924 1.00 0.00 H new ATOM 0 HA MET A 99 -12.028 12.536 4.626 1.00 0.00 H new ATOM 0 HB2 MET A 99 -12.016 9.986 2.934 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.072 10.183 4.397 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.145 10.575 5.717 1.00 0.00 H new ATOM 0 HG3 MET A 99 -14.116 10.476 4.261 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.911 7.135 6.499 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.923 8.081 5.360 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.779 8.899 6.689 1.00 0.00 H new ATOM 1489 N ARG A 100 -9.672 12.761 3.785 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.322 12.995 3.289 1.00 0.00 C ATOM 1491 C ARG A 100 -7.404 11.889 3.801 1.00 0.00 C ATOM 1492 O ARG A 100 -7.321 11.644 5.004 1.00 0.00 O ATOM 1493 CB ARG A 100 -7.838 14.357 3.789 1.00 0.00 C ATOM 1494 CG ARG A 100 -6.366 14.584 3.430 1.00 0.00 C ATOM 1495 CD ARG A 100 -5.937 15.966 3.921 1.00 0.00 C ATOM 1496 NE ARG A 100 -6.629 17.012 3.177 1.00 0.00 N ATOM 1497 CZ ARG A 100 -6.445 18.298 3.453 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -5.558 18.667 4.335 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -7.310 19.165 3.012 1.00 0.00 N ATOM 0 H ARG A 100 -9.786 12.912 4.787 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.313 12.990 2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.448 15.147 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.966 14.418 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.745 13.814 3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.226 14.508 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.155 16.064 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.859 16.081 3.804 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.269 16.750 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.998 17.965 4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.424 19.657 4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.112 18.852 2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.186 20.157 3.214 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.710 11.242 2.874 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.790 10.169 3.222 1.00 0.00 C ATOM 1515 C TYR A 101 -4.375 10.558 2.815 1.00 0.00 C ATOM 1516 O TYR A 101 -4.088 10.688 1.625 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.213 8.882 2.508 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.471 7.792 3.520 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -5.392 7.148 4.131 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.782 7.506 3.927 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -5.620 6.156 5.088 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -8.006 6.561 4.938 1.00 0.00 C ATOM 1523 CZ TYR A 101 -6.930 5.845 5.475 1.00 0.00 C ATOM 1524 OH TYR A 101 -7.161 4.739 6.263 1.00 0.00 O ATOM 0 H TYR A 101 -6.767 11.442 1.875 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.813 10.001 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.112 9.062 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.433 8.568 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.381 7.417 3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.616 8.012 3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -4.787 5.629 5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -9.008 6.386 5.302 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.121 4.662 6.445 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.566 11.025 3.772 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.112 11.238 3.538 1.00 0.00 C ATOM 1536 C PRO A 102 -1.415 9.924 3.199 1.00 0.00 C ATOM 1537 O PRO A 102 -1.685 8.896 3.822 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.601 11.796 4.870 1.00 0.00 C ATOM 1539 CG PRO A 102 -2.818 12.231 5.620 1.00 0.00 C ATOM 1540 CD PRO A 102 -3.934 11.291 5.173 1.00 0.00 C ATOM 0 HA PRO A 102 -1.917 11.906 2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.049 11.038 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.921 12.632 4.709 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.659 12.166 6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.066 13.268 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.962 10.378 5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.917 11.755 5.256 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.443 9.996 2.295 1.00 0.00 N ATOM 1549 CA TYR A 103 0.381 8.841 1.962 1.00 0.00 C ATOM 1550 C TYR A 103 1.851 9.254 1.921 1.00 0.00 C ATOM 1551 O TYR A 103 2.180 10.316 1.401 1.00 0.00 O ATOM 1552 CB TYR A 103 -0.084 8.278 0.616 1.00 0.00 C ATOM 1553 CG TYR A 103 0.719 7.049 0.258 1.00 0.00 C ATOM 1554 CD1 TYR A 103 0.413 5.826 0.862 1.00 0.00 C ATOM 1555 CD2 TYR A 103 1.607 7.077 -0.825 1.00 0.00 C ATOM 1556 CE1 TYR A 103 1.254 4.728 0.661 1.00 0.00 C ATOM 1557 CE2 TYR A 103 2.310 5.917 -1.164 1.00 0.00 C ATOM 1558 CZ TYR A 103 2.205 4.771 -0.366 1.00 0.00 C ATOM 1559 OH TYR A 103 3.199 3.816 -0.412 1.00 0.00 O ATOM 0 H TYR A 103 -0.207 10.844 1.780 1.00 0.00 H new ATOM 0 HA TYR A 103 0.277 8.064 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.144 8.027 0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.029 9.034 -0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.468 5.730 1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.747 7.985 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.171 3.855 1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.936 5.905 -2.044 1.00 0.00 H new ATOM 0 HH TYR A 103 3.778 3.984 -1.185 1.00 0.00 H new