USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 895 hydrogens (8 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 201 7BUZN :(H bumps) USER MOD Single : A 1 SER N :NH3+ -166:sc= 1.23 (180deg=1.17) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.149) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -83:sc= 1.79 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -0.0108 (180deg=-0.16) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 34 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.9) USER MOD Single : A 44 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.5) USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= 0.977 (180deg=0.232) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 52 ASN : amide:sc= 1.12 K(o=1.1,f=-0.025) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0661) USER MOD Single : A 64 GLN : amide:sc=-0.00602 K(o=-0.006,f=-0.9) USER MOD Single : A 67 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.1) USER MOD Single : A 70 GLN : amide:sc= -0.0216 K(o=-0.022,f=-0.6) USER MOD Single : A 73 GLN : amide:sc= 0.57 K(o=0.57,f=-1) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.0827 (180deg=-0.457) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -0.0195 (180deg=-0.222) USER MOD Single : A 86 SER OG : rot 59:sc= 0.957 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 99 GLN : amide:sc= -0.041 K(o=-0.041,f=-1.7) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= 1.27 (180deg=0.898) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= -0.0215 (180deg=-0.169) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.950 -6.082 -3.388 1.00 0.00 N ATOM 2 CA SER A 1 -0.269 -5.437 -3.887 1.00 0.00 C ATOM 3 C SER A 1 -0.036 -4.831 -5.257 1.00 0.00 C ATOM 4 O SER A 1 0.515 -3.735 -5.388 1.00 0.00 O ATOM 5 CB SER A 1 -0.761 -4.380 -2.902 1.00 0.00 C ATOM 6 OG SER A 1 -1.108 -4.975 -1.660 1.00 0.00 O ATOM 0 H1 SER A 1 0.715 -6.686 -2.575 1.00 0.00 H new ATOM 0 H2 SER A 1 1.369 -6.663 -4.142 1.00 0.00 H new ATOM 0 H3 SER A 1 1.632 -5.354 -3.093 1.00 0.00 H new ATOM 0 HA SER A 1 -1.043 -6.199 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.015 -3.630 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.626 -3.863 -3.318 1.00 0.00 H new ATOM 0 HG SER A 1 -1.419 -4.282 -1.041 1.00 0.00 H new ATOM 14 N GLU A 2 -0.447 -5.569 -6.271 1.00 0.00 N ATOM 15 CA GLU A 2 -0.291 -5.171 -7.653 1.00 0.00 C ATOM 16 C GLU A 2 -1.099 -6.092 -8.560 1.00 0.00 C ATOM 17 O GLU A 2 -1.620 -5.665 -9.587 1.00 0.00 O ATOM 18 CB GLU A 2 1.194 -5.181 -8.082 1.00 0.00 C ATOM 19 CG GLU A 2 1.912 -6.525 -7.912 1.00 0.00 C ATOM 20 CD GLU A 2 2.434 -6.751 -6.505 1.00 0.00 C ATOM 21 OE1 GLU A 2 1.708 -7.343 -5.675 1.00 0.00 O ATOM 22 OE2 GLU A 2 3.577 -6.335 -6.223 1.00 0.00 O1- ATOM 0 H GLU A 2 -0.904 -6.473 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.663 -4.151 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.255 -4.884 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.728 -4.426 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.226 -7.331 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.744 -6.576 -8.614 1.00 0.00 H new ATOM 29 N PHE A 3 -1.226 -7.353 -8.153 1.00 0.00 N ATOM 30 CA PHE A 3 -1.924 -8.357 -8.946 1.00 0.00 C ATOM 31 C PHE A 3 -3.406 -8.040 -9.118 1.00 0.00 C ATOM 32 O PHE A 3 -3.989 -8.334 -10.168 1.00 0.00 O ATOM 33 CB PHE A 3 -1.742 -9.743 -8.340 1.00 0.00 C ATOM 34 CG PHE A 3 -0.311 -10.185 -8.301 1.00 0.00 C ATOM 35 CD1 PHE A 3 0.380 -10.242 -7.103 1.00 0.00 C ATOM 36 CD2 PHE A 3 0.347 -10.536 -9.465 1.00 0.00 C ATOM 37 CE1 PHE A 3 1.698 -10.643 -7.065 1.00 0.00 C ATOM 38 CE2 PHE A 3 1.664 -10.939 -9.436 1.00 0.00 C ATOM 39 CZ PHE A 3 2.341 -10.992 -8.232 1.00 0.00 C ATOM 0 H PHE A 3 -0.851 -7.704 -7.272 1.00 0.00 H new ATOM 0 HA PHE A 3 -1.477 -8.341 -9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.144 -9.746 -7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -2.323 -10.464 -8.916 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.120 -9.969 -6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.178 -10.494 -10.408 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.225 -10.683 -6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.166 -11.213 -10.352 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.374 -11.307 -8.206 1.00 0.00 H new ATOM 49 N GLU A 4 -4.020 -7.432 -8.110 1.00 0.00 N ATOM 50 CA GLU A 4 -5.424 -7.071 -8.208 1.00 0.00 C ATOM 51 C GLU A 4 -5.568 -5.855 -9.103 1.00 0.00 C ATOM 52 O GLU A 4 -6.531 -5.726 -9.842 1.00 0.00 O ATOM 53 CB GLU A 4 -6.075 -6.825 -6.825 1.00 0.00 C ATOM 54 CG GLU A 4 -5.423 -5.736 -5.976 1.00 0.00 C ATOM 55 CD GLU A 4 -4.149 -6.194 -5.317 1.00 0.00 C ATOM 56 OE1 GLU A 4 -3.099 -6.159 -5.969 1.00 0.00 O ATOM 57 OE2 GLU A 4 -4.195 -6.606 -4.142 1.00 0.00 O1- ATOM 0 H GLU A 4 -3.573 -7.182 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.958 -7.914 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.122 -6.564 -6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.057 -7.759 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.211 -4.870 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.126 -5.410 -5.210 1.00 0.00 H new ATOM 64 N LYS A 5 -4.570 -4.979 -9.050 1.00 0.00 N ATOM 65 CA LYS A 5 -4.544 -3.779 -9.880 1.00 0.00 C ATOM 66 C LYS A 5 -4.396 -4.162 -11.349 1.00 0.00 C ATOM 67 O LYS A 5 -4.858 -3.450 -12.246 1.00 0.00 O ATOM 68 CB LYS A 5 -3.403 -2.849 -9.451 1.00 0.00 C ATOM 69 CG LYS A 5 -3.474 -2.409 -7.993 1.00 0.00 C ATOM 70 CD LYS A 5 -4.777 -1.679 -7.691 1.00 0.00 C ATOM 71 CE LYS A 5 -4.839 -1.222 -6.242 1.00 0.00 C ATOM 72 NZ LYS A 5 -3.794 -0.216 -5.931 1.00 0.00 N1+ ATOM 0 H LYS A 5 -3.762 -5.079 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.485 -3.245 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.453 -3.355 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.411 -1.964 -10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.386 -3.281 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.630 -1.757 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.872 -0.816 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.621 -2.336 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.822 -0.798 -6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.720 -2.083 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.993 0.217 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.863 -0.679 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.792 0.521 -6.665 1.00 0.00 H new ATOM 86 N LEU A 6 -3.788 -5.315 -11.586 1.00 0.00 N ATOM 87 CA LEU A 6 -3.581 -5.800 -12.933 1.00 0.00 C ATOM 88 C LEU A 6 -4.886 -6.372 -13.447 1.00 0.00 C ATOM 89 O LEU A 6 -5.304 -6.095 -14.572 1.00 0.00 O ATOM 90 CB LEU A 6 -2.489 -6.880 -12.969 1.00 0.00 C ATOM 91 CG LEU A 6 -1.081 -6.433 -12.563 1.00 0.00 C ATOM 92 CD1 LEU A 6 -0.131 -7.620 -12.544 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.565 -5.361 -13.508 1.00 0.00 C ATOM 0 H LEU A 6 -3.430 -5.931 -10.856 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.255 -4.973 -13.564 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.792 -7.695 -12.312 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.441 -7.285 -13.980 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.133 -6.012 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.865 -7.285 -12.254 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.488 -8.360 -11.828 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.088 -8.067 -13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.436 -5.057 -13.202 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.530 -5.757 -14.523 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.231 -4.498 -13.478 1.00 0.00 H new ATOM 105 N ARG A 7 -5.541 -7.152 -12.589 1.00 0.00 N ATOM 106 CA ARG A 7 -6.816 -7.769 -12.916 1.00 0.00 C ATOM 107 C ARG A 7 -7.919 -6.729 -13.035 1.00 0.00 C ATOM 108 O ARG A 7 -8.798 -6.853 -13.870 1.00 0.00 O ATOM 109 CB ARG A 7 -7.203 -8.816 -11.873 1.00 0.00 C ATOM 110 CG ARG A 7 -8.499 -9.532 -12.207 1.00 0.00 C ATOM 111 CD ARG A 7 -8.921 -10.497 -11.117 1.00 0.00 C ATOM 112 NE ARG A 7 -7.977 -11.606 -10.944 1.00 0.00 N ATOM 113 CZ ARG A 7 -8.049 -12.765 -11.614 1.00 0.00 C ATOM 114 NH1 ARG A 7 -8.934 -12.922 -12.588 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -7.221 -13.759 -11.322 1.00 0.00 N ATOM 0 H ARG A 7 -5.201 -7.371 -11.653 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.698 -8.261 -13.881 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.401 -9.549 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.301 -8.334 -10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.288 -8.796 -12.363 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.380 -10.076 -13.144 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.016 -9.956 -10.175 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.906 -10.898 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.219 -11.488 -10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.565 -12.159 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.984 -13.806 -13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.526 -13.644 -10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.280 -14.639 -11.835 1.00 0.00 H new ATOM 129 N GLN A 8 -7.847 -5.687 -12.223 1.00 0.00 N ATOM 130 CA GLN A 8 -8.867 -4.649 -12.218 1.00 0.00 C ATOM 131 C GLN A 8 -8.870 -3.895 -13.536 1.00 0.00 C ATOM 132 O GLN A 8 -9.922 -3.521 -14.042 1.00 0.00 O ATOM 133 CB GLN A 8 -8.642 -3.685 -11.054 1.00 0.00 C ATOM 134 CG GLN A 8 -9.627 -2.530 -11.003 1.00 0.00 C ATOM 135 CD GLN A 8 -9.423 -1.651 -9.792 1.00 0.00 C ATOM 136 OE1 GLN A 8 -8.664 -0.683 -9.833 1.00 0.00 O ATOM 137 NE2 GLN A 8 -10.092 -1.984 -8.708 1.00 0.00 N ATOM 0 H GLN A 8 -7.090 -5.537 -11.556 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.839 -5.125 -12.092 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.703 -4.242 -10.119 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.631 -3.283 -11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.524 -1.929 -11.906 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.644 -2.923 -10.996 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.710 -2.795 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.992 -1.431 -7.857 1.00 0.00 H new ATOM 146 N THR A 9 -7.696 -3.704 -14.110 1.00 0.00 N ATOM 147 CA THR A 9 -7.590 -3.011 -15.368 1.00 0.00 C ATOM 148 C THR A 9 -7.809 -3.987 -16.520 1.00 0.00 C ATOM 149 O THR A 9 -8.138 -3.591 -17.637 1.00 0.00 O ATOM 150 CB THR A 9 -6.225 -2.305 -15.505 1.00 0.00 C ATOM 151 OG1 THR A 9 -5.167 -3.204 -15.121 1.00 0.00 O ATOM 152 CG2 THR A 9 -6.172 -1.052 -14.639 1.00 0.00 C ATOM 0 H THR A 9 -6.808 -4.021 -13.721 1.00 0.00 H new ATOM 0 HA THR A 9 -8.363 -2.243 -15.402 1.00 0.00 H new ATOM 0 HB THR A 9 -6.095 -2.012 -16.547 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.068 -3.196 -14.146 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.200 -0.572 -14.753 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.956 -0.362 -14.950 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.322 -1.325 -13.594 1.00 0.00 H new ATOM 160 N GLY A 10 -7.640 -5.272 -16.222 1.00 0.00 N ATOM 161 CA GLY A 10 -7.878 -6.302 -17.205 1.00 0.00 C ATOM 162 C GLY A 10 -9.357 -6.560 -17.352 1.00 0.00 C ATOM 163 O GLY A 10 -9.866 -6.673 -18.461 1.00 0.00 O ATOM 0 H GLY A 10 -7.340 -5.615 -15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.458 -6.001 -18.165 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.370 -7.220 -16.909 1.00 0.00 H new ATOM 167 N ASP A 11 -10.044 -6.651 -16.214 1.00 0.00 N ATOM 168 CA ASP A 11 -11.496 -6.819 -16.183 1.00 0.00 C ATOM 169 C ASP A 11 -12.179 -5.726 -16.967 1.00 0.00 C ATOM 170 O ASP A 11 -13.062 -5.996 -17.778 1.00 0.00 O ATOM 171 CB ASP A 11 -12.024 -6.825 -14.742 1.00 0.00 C ATOM 172 CG ASP A 11 -11.879 -8.166 -14.059 1.00 0.00 C ATOM 173 OD1 ASP A 11 -12.161 -9.199 -14.704 1.00 0.00 O ATOM 174 OD2 ASP A 11 -11.531 -8.195 -12.862 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.612 -6.611 -15.291 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.722 -7.782 -16.642 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.491 -6.071 -14.164 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.076 -6.539 -14.746 1.00 0.00 H new ATOM 179 N GLU A 12 -11.754 -4.488 -16.734 1.00 0.00 N ATOM 180 CA GLU A 12 -12.311 -3.346 -17.439 1.00 0.00 C ATOM 181 C GLU A 12 -12.056 -3.469 -18.934 1.00 0.00 C ATOM 182 O GLU A 12 -12.953 -3.246 -19.744 1.00 0.00 O ATOM 183 CB GLU A 12 -11.714 -2.040 -16.911 1.00 0.00 C ATOM 184 CG GLU A 12 -12.060 -1.745 -15.461 1.00 0.00 C ATOM 185 CD GLU A 12 -13.552 -1.711 -15.220 1.00 0.00 C ATOM 186 OE1 GLU A 12 -14.205 -0.737 -15.649 1.00 0.00 O ATOM 187 OE2 GLU A 12 -14.080 -2.657 -14.602 1.00 0.00 O1- ATOM 0 H GLU A 12 -11.025 -4.253 -16.061 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.387 -3.331 -17.265 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.630 -2.080 -17.014 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.063 -1.215 -17.532 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.609 -2.503 -14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.626 -0.787 -15.175 1.00 0.00 H new ATOM 194 N LEU A 13 -10.830 -3.837 -19.290 1.00 0.00 N ATOM 195 CA LEU A 13 -10.456 -4.014 -20.686 1.00 0.00 C ATOM 196 C LEU A 13 -11.291 -5.109 -21.349 1.00 0.00 C ATOM 197 O LEU A 13 -11.839 -4.903 -22.423 1.00 0.00 O ATOM 198 CB LEU A 13 -8.961 -4.352 -20.793 1.00 0.00 C ATOM 199 CG LEU A 13 -8.415 -4.556 -22.211 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.531 -3.276 -23.024 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.969 -5.029 -22.161 1.00 0.00 C ATOM 0 H LEU A 13 -10.076 -4.019 -18.627 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.651 -3.078 -21.209 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.394 -3.551 -20.319 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.773 -5.259 -20.219 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.014 -5.324 -22.701 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.137 -3.445 -24.026 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.578 -2.981 -23.090 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.961 -2.484 -22.539 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.597 -5.169 -23.176 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.360 -4.283 -21.651 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.914 -5.974 -21.621 1.00 0.00 H new ATOM 213 N VAL A 14 -11.403 -6.259 -20.694 1.00 0.00 N ATOM 214 CA VAL A 14 -12.187 -7.376 -21.228 1.00 0.00 C ATOM 215 C VAL A 14 -13.662 -6.999 -21.364 1.00 0.00 C ATOM 216 O VAL A 14 -14.275 -7.223 -22.404 1.00 0.00 O ATOM 217 CB VAL A 14 -12.062 -8.632 -20.321 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.049 -9.715 -20.745 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.638 -9.170 -20.345 1.00 0.00 C ATOM 0 H VAL A 14 -10.963 -6.446 -19.793 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.785 -7.607 -22.215 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.304 -8.335 -19.300 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.940 -10.582 -20.094 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.066 -9.330 -20.669 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.847 -10.008 -21.775 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.570 -10.049 -19.704 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.369 -9.443 -21.365 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.953 -8.403 -19.983 1.00 0.00 H new ATOM 229 N GLN A 15 -14.209 -6.425 -20.308 1.00 0.00 N ATOM 230 CA GLN A 15 -15.597 -6.013 -20.284 1.00 0.00 C ATOM 231 C GLN A 15 -15.904 -5.010 -21.398 1.00 0.00 C ATOM 232 O GLN A 15 -16.892 -5.152 -22.123 1.00 0.00 O ATOM 233 CB GLN A 15 -15.917 -5.418 -18.928 1.00 0.00 C ATOM 234 CG GLN A 15 -17.353 -5.030 -18.761 1.00 0.00 C ATOM 235 CD GLN A 15 -17.647 -4.524 -17.374 1.00 0.00 C ATOM 236 OE1 GLN A 15 -16.785 -3.931 -16.720 1.00 0.00 O ATOM 237 NE2 GLN A 15 -18.848 -4.765 -16.906 1.00 0.00 N ATOM 0 H GLN A 15 -13.702 -6.232 -19.444 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.223 -6.888 -20.456 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.653 -6.139 -18.154 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.292 -4.539 -18.771 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -17.606 -4.259 -19.489 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.987 -5.890 -18.974 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -19.530 -5.259 -17.482 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -19.100 -4.459 -15.966 1.00 0.00 H new ATOM 246 N ALA A 16 -15.043 -4.020 -21.543 1.00 0.00 N ATOM 247 CA ALA A 16 -15.208 -3.010 -22.573 1.00 0.00 C ATOM 248 C ALA A 16 -14.982 -3.613 -23.960 1.00 0.00 C ATOM 249 O ALA A 16 -15.648 -3.245 -24.916 1.00 0.00 O ATOM 250 CB ALA A 16 -14.273 -1.842 -22.323 1.00 0.00 C ATOM 0 H ALA A 16 -14.218 -3.893 -20.957 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.231 -2.637 -22.535 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.409 -1.094 -23.104 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.496 -1.399 -21.353 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.241 -2.193 -22.333 1.00 0.00 H new ATOM 256 N PHE A 17 -14.040 -4.550 -24.049 1.00 0.00 N ATOM 257 CA PHE A 17 -13.745 -5.237 -25.308 1.00 0.00 C ATOM 258 C PHE A 17 -14.934 -6.093 -25.736 1.00 0.00 C ATOM 259 O PHE A 17 -15.273 -6.165 -26.919 1.00 0.00 O ATOM 260 CB PHE A 17 -12.484 -6.103 -25.177 1.00 0.00 C ATOM 261 CG PHE A 17 -12.113 -6.829 -26.441 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.583 -6.140 -27.518 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.298 -8.199 -26.550 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.244 -6.802 -28.681 1.00 0.00 C ATOM 265 CE2 PHE A 17 -11.960 -8.866 -27.712 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.432 -8.167 -28.779 1.00 0.00 C ATOM 0 H PHE A 17 -13.466 -4.853 -23.262 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.562 -4.482 -26.073 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.650 -5.470 -24.874 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.636 -6.832 -24.381 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.433 -5.073 -27.448 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.711 -8.750 -25.718 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.832 -6.253 -29.514 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.109 -9.933 -27.785 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.167 -8.686 -29.688 1.00 0.00 H new ATOM 276 N GLN A 18 -15.560 -6.741 -24.767 1.00 0.00 N ATOM 277 CA GLN A 18 -16.736 -7.547 -25.022 1.00 0.00 C ATOM 278 C GLN A 18 -17.863 -6.652 -25.513 1.00 0.00 C ATOM 279 O GLN A 18 -18.561 -6.976 -26.475 1.00 0.00 O ATOM 280 CB GLN A 18 -17.153 -8.280 -23.749 1.00 0.00 C ATOM 281 CG GLN A 18 -18.390 -9.140 -23.906 1.00 0.00 C ATOM 282 CD GLN A 18 -18.746 -9.868 -22.631 1.00 0.00 C ATOM 283 OE1 GLN A 18 -19.484 -9.354 -21.796 1.00 0.00 O ATOM 284 NE2 GLN A 18 -18.228 -11.066 -22.475 1.00 0.00 N ATOM 0 H GLN A 18 -15.268 -6.722 -23.790 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.510 -8.289 -25.788 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.327 -8.909 -23.418 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.331 -7.547 -22.962 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.229 -8.514 -24.211 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.227 -9.866 -24.703 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.619 -11.456 -23.194 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.435 -11.606 -21.635 1.00 0.00 H new ATOM 293 N ARG A 19 -18.017 -5.511 -24.853 1.00 0.00 N ATOM 294 CA ARG A 19 -19.011 -4.519 -25.232 1.00 0.00 C ATOM 295 C ARG A 19 -18.693 -3.964 -26.619 1.00 0.00 C ATOM 296 O ARG A 19 -19.589 -3.669 -27.405 1.00 0.00 O ATOM 297 CB ARG A 19 -19.041 -3.381 -24.201 1.00 0.00 C ATOM 298 CG ARG A 19 -20.119 -2.342 -24.457 1.00 0.00 C ATOM 299 CD ARG A 19 -21.499 -2.965 -24.384 1.00 0.00 C ATOM 300 NE ARG A 19 -22.550 -2.018 -24.725 1.00 0.00 N ATOM 301 CZ ARG A 19 -23.771 -2.371 -25.111 1.00 0.00 C ATOM 302 NH1 ARG A 19 -24.088 -3.658 -25.228 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -24.670 -1.437 -25.392 1.00 0.00 N ATOM 0 H ARG A 19 -17.457 -5.249 -24.042 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.992 -4.994 -25.259 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -19.190 -3.807 -23.209 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.070 -2.887 -24.193 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -20.038 -1.540 -23.723 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -19.970 -1.892 -25.439 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -21.547 -3.817 -25.062 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -21.670 -3.348 -23.378 1.00 0.00 H new ATOM 0 HE ARG A 19 -22.336 -1.023 -24.664 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -23.393 -4.375 -25.021 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -25.026 -3.927 -25.525 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -24.423 -0.451 -25.311 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -25.608 -1.705 -25.689 1.00 0.00 H new ATOM 317 N LEU A 20 -17.405 -3.851 -26.905 1.00 0.00 N ATOM 318 CA LEU A 20 -16.920 -3.326 -28.173 1.00 0.00 C ATOM 319 C LEU A 20 -17.434 -4.164 -29.340 1.00 0.00 C ATOM 320 O LEU A 20 -17.805 -3.625 -30.385 1.00 0.00 O ATOM 321 CB LEU A 20 -15.386 -3.308 -28.182 1.00 0.00 C ATOM 322 CG LEU A 20 -14.725 -2.815 -29.469 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.979 -1.333 -29.668 1.00 0.00 C ATOM 324 CD2 LEU A 20 -13.234 -3.108 -29.451 1.00 0.00 C ATOM 0 H LEU A 20 -16.662 -4.122 -26.261 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.294 -2.308 -28.287 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.046 -2.679 -27.359 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.030 -4.318 -27.979 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.168 -3.351 -30.308 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.500 -1.002 -30.590 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.052 -1.153 -29.732 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.568 -0.777 -28.826 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.782 -2.750 -30.376 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.774 -2.602 -28.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.075 -4.183 -29.362 1.00 0.00 H new ATOM 336 N ARG A 21 -17.477 -5.478 -29.155 1.00 0.00 N ATOM 337 CA ARG A 21 -17.948 -6.357 -30.209 1.00 0.00 C ATOM 338 C ARG A 21 -19.437 -6.145 -30.448 1.00 0.00 C ATOM 339 O ARG A 21 -19.902 -6.180 -31.581 1.00 0.00 O ATOM 340 CB ARG A 21 -17.679 -7.821 -29.888 1.00 0.00 C ATOM 341 CG ARG A 21 -17.786 -8.724 -31.109 1.00 0.00 C ATOM 342 CD ARG A 21 -18.585 -9.976 -30.814 1.00 0.00 C ATOM 343 NE ARG A 21 -19.985 -9.671 -30.522 1.00 0.00 N ATOM 344 CZ ARG A 21 -20.621 -10.044 -29.409 1.00 0.00 C ATOM 345 NH1 ARG A 21 -19.982 -10.726 -28.458 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -21.890 -9.723 -29.250 1.00 0.00 N ATOM 0 H ARG A 21 -17.195 -5.950 -28.296 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.395 -6.106 -31.114 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.682 -7.916 -29.458 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.386 -8.158 -29.130 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.256 -8.177 -31.926 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.787 -9.001 -31.445 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.531 -10.651 -31.668 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.142 -10.498 -29.966 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.511 -9.138 -31.215 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.998 -10.967 -28.577 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.477 -11.006 -27.611 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -22.377 -9.194 -29.974 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.385 -10.003 -28.403 1.00 0.00 H new ATOM 360 N GLU A 22 -20.173 -5.880 -29.367 1.00 0.00 N ATOM 361 CA GLU A 22 -21.617 -5.663 -29.440 1.00 0.00 C ATOM 362 C GLU A 22 -21.923 -4.403 -30.223 1.00 0.00 C ATOM 363 O GLU A 22 -22.955 -4.300 -30.891 1.00 0.00 O ATOM 364 CB GLU A 22 -22.232 -5.570 -28.046 1.00 0.00 C ATOM 365 CG GLU A 22 -22.016 -6.800 -27.188 1.00 0.00 C ATOM 366 CD GLU A 22 -22.790 -6.737 -25.895 1.00 0.00 C ATOM 367 OE1 GLU A 22 -22.479 -5.872 -25.052 1.00 0.00 O ATOM 368 OE2 GLU A 22 -23.718 -7.551 -25.714 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.788 -5.810 -28.425 1.00 0.00 H new ATOM 0 HA GLU A 22 -22.057 -6.518 -29.953 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.812 -4.705 -27.533 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -23.303 -5.393 -28.145 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -22.316 -7.687 -27.746 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -20.954 -6.906 -26.969 1.00 0.00 H new ATOM 375 N ILE A 23 -21.006 -3.452 -30.155 1.00 0.00 N ATOM 376 CA ILE A 23 -21.160 -2.182 -30.828 1.00 0.00 C ATOM 377 C ILE A 23 -20.893 -2.397 -32.307 1.00 0.00 C ATOM 378 O ILE A 23 -21.521 -1.787 -33.180 1.00 0.00 O ATOM 379 CB ILE A 23 -20.186 -1.131 -30.255 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.456 -0.938 -28.763 1.00 0.00 C ATOM 381 CG2 ILE A 23 -20.323 0.191 -30.998 1.00 0.00 C ATOM 382 CD1 ILE A 23 -19.480 -0.019 -28.078 1.00 0.00 C ATOM 0 H ILE A 23 -20.136 -3.543 -29.631 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.172 -1.806 -30.676 1.00 0.00 H new ATOM 0 HB ILE A 23 -19.165 -1.488 -30.388 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -21.463 -0.542 -28.635 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.431 -1.910 -28.271 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -19.628 0.918 -30.578 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.097 0.040 -32.054 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -21.343 0.563 -30.895 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.739 0.066 -27.023 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.472 -0.423 -28.173 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -19.521 0.966 -28.542 1.00 0.00 H new ATOM 394 N PHE A 24 -19.962 -3.312 -32.566 1.00 0.00 N ATOM 395 CA PHE A 24 -19.563 -3.662 -33.912 1.00 0.00 C ATOM 396 C PHE A 24 -20.705 -4.405 -34.583 1.00 0.00 C ATOM 397 O PHE A 24 -20.968 -4.231 -35.775 1.00 0.00 O ATOM 398 CB PHE A 24 -18.291 -4.521 -33.894 1.00 0.00 C ATOM 399 CG PHE A 24 -17.856 -4.990 -35.256 1.00 0.00 C ATOM 400 CD1 PHE A 24 -17.395 -4.087 -36.200 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.911 -6.335 -35.593 1.00 0.00 C ATOM 402 CE1 PHE A 24 -16.997 -4.514 -37.450 1.00 0.00 C ATOM 403 CE2 PHE A 24 -17.514 -6.767 -36.842 1.00 0.00 C ATOM 404 CZ PHE A 24 -17.057 -5.856 -37.773 1.00 0.00 C ATOM 0 H PHE A 24 -19.466 -3.829 -31.840 1.00 0.00 H new ATOM 0 HA PHE A 24 -19.339 -2.755 -34.474 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.482 -3.947 -33.442 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.459 -5.390 -33.257 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -17.347 -3.036 -35.955 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.269 -7.052 -34.869 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.639 -3.799 -38.176 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.561 -7.817 -37.091 1.00 0.00 H new ATOM 0 HZ PHE A 24 -16.747 -6.192 -38.752 1.00 0.00 H new ATOM 414 N ASP A 25 -21.393 -5.234 -33.790 1.00 0.00 N ATOM 415 CA ASP A 25 -22.547 -5.994 -34.268 1.00 0.00 C ATOM 416 C ASP A 25 -23.626 -5.044 -34.760 1.00 0.00 C ATOM 417 O ASP A 25 -24.348 -5.349 -35.704 1.00 0.00 O ATOM 418 CB ASP A 25 -23.159 -6.855 -33.145 1.00 0.00 C ATOM 419 CG ASP A 25 -22.247 -7.933 -32.583 1.00 0.00 C ATOM 420 OD1 ASP A 25 -21.475 -8.548 -33.346 1.00 0.00 O ATOM 421 OD2 ASP A 25 -22.329 -8.190 -31.363 1.00 0.00 O1- ATOM 0 H ASP A 25 -21.166 -5.394 -32.808 1.00 0.00 H new ATOM 0 HA ASP A 25 -22.197 -6.640 -35.073 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -23.462 -6.198 -32.330 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.064 -7.329 -33.525 1.00 0.00 H new ATOM 426 N LYS A 26 -23.720 -3.882 -34.128 1.00 0.00 N ATOM 427 CA LYS A 26 -24.718 -2.889 -34.497 1.00 0.00 C ATOM 428 C LYS A 26 -24.198 -1.980 -35.598 1.00 0.00 C ATOM 429 O LYS A 26 -24.950 -1.178 -36.154 1.00 0.00 O ATOM 430 CB LYS A 26 -25.091 -2.025 -33.286 1.00 0.00 C ATOM 431 CG LYS A 26 -25.651 -2.792 -32.104 1.00 0.00 C ATOM 432 CD LYS A 26 -26.924 -3.529 -32.466 1.00 0.00 C ATOM 433 CE LYS A 26 -27.576 -4.136 -31.238 1.00 0.00 C ATOM 434 NZ LYS A 26 -26.654 -5.041 -30.509 1.00 0.00 N1+ ATOM 0 H LYS A 26 -23.115 -3.604 -33.355 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.597 -3.426 -34.854 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -24.205 -1.480 -32.960 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.825 -1.283 -33.600 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.907 -3.504 -31.747 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -25.851 -2.102 -31.284 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.620 -2.843 -32.948 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.700 -4.315 -33.187 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -27.905 -3.339 -30.571 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -28.466 -4.689 -31.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -27.183 -5.563 -29.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -26.228 -5.715 -31.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -25.903 -4.481 -30.057 1.00 0.00 H new ATOM 448 N GLY A 27 -22.918 -2.122 -35.927 1.00 0.00 N ATOM 449 CA GLY A 27 -22.307 -1.231 -36.889 1.00 0.00 C ATOM 450 C GLY A 27 -22.363 0.213 -36.427 1.00 0.00 C ATOM 451 O GLY A 27 -22.412 1.130 -37.241 1.00 0.00 O ATOM 0 H GLY A 27 -22.297 -2.836 -35.545 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.269 -1.523 -37.048 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.815 -1.327 -37.848 1.00 0.00 H new ATOM 455 N ASP A 28 -22.356 0.415 -35.115 1.00 0.00 N ATOM 456 CA ASP A 28 -22.488 1.750 -34.552 1.00 0.00 C ATOM 457 C ASP A 28 -21.126 2.430 -34.488 1.00 0.00 C ATOM 458 O ASP A 28 -20.460 2.424 -33.449 1.00 0.00 O ATOM 459 CB ASP A 28 -23.123 1.686 -33.154 1.00 0.00 C ATOM 460 CG ASP A 28 -23.576 3.044 -32.635 1.00 0.00 C ATOM 461 OD1 ASP A 28 -22.740 3.954 -32.497 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.785 3.196 -32.343 1.00 0.00 O1- ATOM 0 H ASP A 28 -22.260 -0.328 -34.423 1.00 0.00 H new ATOM 0 HA ASP A 28 -23.141 2.337 -35.198 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.979 1.012 -33.182 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -22.404 1.259 -32.455 1.00 0.00 H new ATOM 467 N ASP A 29 -20.698 2.963 -35.625 1.00 0.00 N ATOM 468 CA ASP A 29 -19.414 3.664 -35.734 1.00 0.00 C ATOM 469 C ASP A 29 -19.311 4.812 -34.741 1.00 0.00 C ATOM 470 O ASP A 29 -18.218 5.145 -34.286 1.00 0.00 O ATOM 471 CB ASP A 29 -19.206 4.208 -37.156 1.00 0.00 C ATOM 472 CG ASP A 29 -19.166 3.125 -38.210 1.00 0.00 C ATOM 473 OD1 ASP A 29 -20.227 2.831 -38.815 1.00 0.00 O ATOM 474 OD2 ASP A 29 -18.080 2.557 -38.445 1.00 0.00 O1- ATOM 0 H ASP A 29 -21.225 2.925 -36.498 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.637 2.935 -35.505 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -20.010 4.906 -37.392 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.274 4.772 -37.189 1.00 0.00 H new ATOM 479 N ASP A 30 -20.447 5.395 -34.382 1.00 0.00 N ATOM 480 CA ASP A 30 -20.461 6.527 -33.463 1.00 0.00 C ATOM 481 C ASP A 30 -19.936 6.127 -32.100 1.00 0.00 C ATOM 482 O ASP A 30 -19.042 6.778 -31.553 1.00 0.00 O ATOM 483 CB ASP A 30 -21.871 7.099 -33.323 1.00 0.00 C ATOM 484 CG ASP A 30 -22.314 7.861 -34.543 1.00 0.00 C ATOM 485 OD1 ASP A 30 -22.130 9.095 -34.576 1.00 0.00 O ATOM 486 OD2 ASP A 30 -22.851 7.237 -35.478 1.00 0.00 O1- ATOM 0 H ASP A 30 -21.368 5.105 -34.711 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.808 7.294 -33.879 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.571 6.285 -33.134 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.907 7.758 -32.456 1.00 0.00 H new ATOM 491 N SER A 31 -20.470 5.047 -31.563 1.00 0.00 N ATOM 492 CA SER A 31 -20.047 4.553 -30.274 1.00 0.00 C ATOM 493 C SER A 31 -18.692 3.865 -30.390 1.00 0.00 C ATOM 494 O SER A 31 -17.882 3.905 -29.463 1.00 0.00 O ATOM 495 CB SER A 31 -21.093 3.590 -29.702 1.00 0.00 C ATOM 496 OG SER A 31 -20.742 3.159 -28.394 1.00 0.00 O ATOM 0 H SER A 31 -21.203 4.494 -32.006 1.00 0.00 H new ATOM 0 HA SER A 31 -19.948 5.398 -29.592 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.066 4.081 -29.676 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.190 2.725 -30.358 1.00 0.00 H new ATOM 0 HG SER A 31 -21.429 2.547 -28.056 1.00 0.00 H new ATOM 502 N LEU A 32 -18.453 3.248 -31.544 1.00 0.00 N ATOM 503 CA LEU A 32 -17.224 2.510 -31.795 1.00 0.00 C ATOM 504 C LEU A 32 -15.996 3.411 -31.675 1.00 0.00 C ATOM 505 O LEU A 32 -15.038 3.053 -30.996 1.00 0.00 O ATOM 506 CB LEU A 32 -17.280 1.893 -33.197 1.00 0.00 C ATOM 507 CG LEU A 32 -16.145 0.942 -33.570 1.00 0.00 C ATOM 508 CD1 LEU A 32 -16.241 -0.346 -32.773 1.00 0.00 C ATOM 509 CD2 LEU A 32 -16.166 0.653 -35.061 1.00 0.00 C ATOM 0 H LEU A 32 -19.106 3.247 -32.328 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.137 1.725 -31.044 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.222 1.354 -33.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.299 2.703 -33.926 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.198 1.422 -33.325 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.423 -1.010 -33.054 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.176 -0.121 -31.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.193 -0.834 -32.983 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.351 -0.026 -35.311 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.117 0.193 -35.329 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.045 1.585 -35.614 1.00 0.00 H new ATOM 521 N GLU A 33 -16.038 4.585 -32.305 1.00 0.00 N ATOM 522 CA GLU A 33 -14.909 5.522 -32.248 1.00 0.00 C ATOM 523 C GLU A 33 -14.568 5.887 -30.803 1.00 0.00 C ATOM 524 O GLU A 33 -13.402 5.858 -30.403 1.00 0.00 O ATOM 525 CB GLU A 33 -15.229 6.798 -33.035 1.00 0.00 C ATOM 526 CG GLU A 33 -15.481 6.576 -34.517 1.00 0.00 C ATOM 527 CD GLU A 33 -15.825 7.860 -35.242 1.00 0.00 C ATOM 528 OE1 GLU A 33 -14.901 8.525 -35.754 1.00 0.00 O ATOM 529 OE2 GLU A 33 -17.023 8.223 -35.294 1.00 0.00 O1- ATOM 0 H GLU A 33 -16.832 4.910 -32.856 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.047 5.028 -32.697 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.108 7.270 -32.596 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.401 7.498 -32.921 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.595 6.132 -34.971 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.295 5.862 -34.642 1.00 0.00 H new ATOM 536 N GLN A 34 -15.592 6.201 -30.023 1.00 0.00 N ATOM 537 CA GLN A 34 -15.405 6.589 -28.632 1.00 0.00 C ATOM 538 C GLN A 34 -14.892 5.434 -27.777 1.00 0.00 C ATOM 539 O GLN A 34 -14.010 5.621 -26.936 1.00 0.00 O ATOM 540 CB GLN A 34 -16.702 7.146 -28.049 1.00 0.00 C ATOM 541 CG GLN A 34 -17.061 8.532 -28.562 1.00 0.00 C ATOM 542 CD GLN A 34 -16.027 9.578 -28.181 1.00 0.00 C ATOM 543 OE1 GLN A 34 -15.365 9.469 -27.144 1.00 0.00 O ATOM 544 NE2 GLN A 34 -15.880 10.590 -29.007 1.00 0.00 N ATOM 0 H GLN A 34 -16.564 6.195 -30.331 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.645 7.370 -28.616 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -17.517 6.461 -28.281 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.615 7.182 -26.963 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -17.159 8.500 -29.647 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -18.032 8.824 -28.163 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.446 10.644 -29.854 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.200 11.322 -28.801 1.00 0.00 H new ATOM 553 N VAL A 35 -15.429 4.241 -27.990 1.00 0.00 N ATOM 554 CA VAL A 35 -15.027 3.084 -27.208 1.00 0.00 C ATOM 555 C VAL A 35 -13.617 2.620 -27.572 1.00 0.00 C ATOM 556 O VAL A 35 -12.855 2.212 -26.699 1.00 0.00 O ATOM 557 CB VAL A 35 -16.040 1.917 -27.348 1.00 0.00 C ATOM 558 CG1 VAL A 35 -15.502 0.641 -26.717 1.00 0.00 C ATOM 559 CG2 VAL A 35 -17.355 2.295 -26.695 1.00 0.00 C ATOM 0 H VAL A 35 -16.141 4.051 -28.695 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.019 3.397 -26.164 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.198 1.732 -28.411 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.234 -0.158 -26.831 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.573 0.355 -27.210 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.313 0.811 -25.657 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.062 1.471 -26.797 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.190 2.503 -25.638 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.760 3.183 -27.180 1.00 0.00 H new ATOM 569 N LEU A 36 -13.254 2.715 -28.856 1.00 0.00 N ATOM 570 CA LEU A 36 -11.924 2.293 -29.303 1.00 0.00 C ATOM 571 C LEU A 36 -10.841 3.078 -28.591 1.00 0.00 C ATOM 572 O LEU A 36 -9.803 2.521 -28.221 1.00 0.00 O ATOM 573 CB LEU A 36 -11.773 2.463 -30.822 1.00 0.00 C ATOM 574 CG LEU A 36 -12.559 1.479 -31.694 1.00 0.00 C ATOM 575 CD1 LEU A 36 -12.442 1.858 -33.161 1.00 0.00 C ATOM 576 CD2 LEU A 36 -12.066 0.056 -31.474 1.00 0.00 C ATOM 0 H LEU A 36 -13.856 3.076 -29.596 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.815 1.237 -29.056 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.080 3.475 -31.086 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.716 2.375 -31.073 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.609 1.529 -31.405 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.006 1.148 -33.766 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.842 2.861 -33.311 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.394 1.837 -33.460 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.637 -0.628 -32.102 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.010 -0.007 -31.735 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.198 -0.217 -30.427 1.00 0.00 H new ATOM 588 N GLU A 37 -11.082 4.367 -28.384 1.00 0.00 N ATOM 589 CA GLU A 37 -10.137 5.192 -27.663 1.00 0.00 C ATOM 590 C GLU A 37 -10.014 4.728 -26.223 1.00 0.00 C ATOM 591 O GLU A 37 -8.913 4.597 -25.709 1.00 0.00 O ATOM 592 CB GLU A 37 -10.525 6.665 -27.711 1.00 0.00 C ATOM 593 CG GLU A 37 -10.395 7.292 -29.087 1.00 0.00 C ATOM 594 CD GLU A 37 -10.521 8.795 -29.038 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.651 9.304 -29.145 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.487 9.478 -28.872 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.918 4.855 -28.705 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.169 5.086 -28.153 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.555 6.770 -27.371 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.900 7.218 -27.010 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.431 7.023 -29.518 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.163 6.885 -29.745 1.00 0.00 H new ATOM 603 N GLU A 38 -11.154 4.451 -25.584 1.00 0.00 N ATOM 604 CA GLU A 38 -11.164 3.984 -24.202 1.00 0.00 C ATOM 605 C GLU A 38 -10.438 2.647 -24.082 1.00 0.00 C ATOM 606 O GLU A 38 -9.675 2.440 -23.154 1.00 0.00 O ATOM 607 CB GLU A 38 -12.604 3.851 -23.689 1.00 0.00 C ATOM 608 CG GLU A 38 -12.718 3.397 -22.231 1.00 0.00 C ATOM 609 CD GLU A 38 -12.180 4.417 -21.242 1.00 0.00 C ATOM 610 OE1 GLU A 38 -12.777 5.509 -21.129 1.00 0.00 O ATOM 611 OE2 GLU A 38 -11.179 4.123 -20.546 1.00 0.00 O1- ATOM 0 H GLU A 38 -12.079 4.543 -26.004 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.642 4.720 -23.590 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.105 4.813 -23.797 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.137 3.141 -24.321 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.764 3.195 -22.001 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.177 2.459 -22.106 1.00 0.00 H new ATOM 618 N ILE A 39 -10.671 1.751 -25.044 1.00 0.00 N ATOM 619 CA ILE A 39 -10.009 0.444 -25.035 1.00 0.00 C ATOM 620 C ILE A 39 -8.505 0.645 -25.093 1.00 0.00 C ATOM 621 O ILE A 39 -7.755 0.077 -24.297 1.00 0.00 O ATOM 622 CB ILE A 39 -10.431 -0.432 -26.242 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.933 -0.697 -26.232 1.00 0.00 C ATOM 624 CG2 ILE A 39 -9.666 -1.756 -26.230 1.00 0.00 C ATOM 625 CD1 ILE A 39 -12.397 -1.513 -25.055 1.00 0.00 C ATOM 0 H ILE A 39 -11.304 1.903 -25.829 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.305 -0.067 -24.119 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.187 0.113 -27.154 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.461 0.257 -26.232 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.208 -1.214 -27.152 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.972 -2.361 -27.083 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.596 -1.558 -26.291 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.884 -2.294 -25.307 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.475 -1.660 -25.117 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.897 -2.482 -25.064 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.155 -0.989 -24.131 1.00 0.00 H new ATOM 637 N GLU A 40 -8.079 1.473 -26.035 1.00 0.00 N ATOM 638 CA GLU A 40 -6.685 1.818 -26.195 1.00 0.00 C ATOM 639 C GLU A 40 -6.127 2.440 -24.914 1.00 0.00 C ATOM 640 O GLU A 40 -4.996 2.153 -24.514 1.00 0.00 O ATOM 641 CB GLU A 40 -6.539 2.787 -27.363 1.00 0.00 C ATOM 642 CG GLU A 40 -5.114 3.073 -27.762 1.00 0.00 C ATOM 643 CD GLU A 40 -5.029 4.034 -28.919 1.00 0.00 C ATOM 644 OE1 GLU A 40 -4.886 5.242 -28.676 1.00 0.00 O ATOM 645 OE2 GLU A 40 -5.101 3.585 -30.080 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.697 1.923 -26.710 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.116 0.911 -26.401 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.070 2.381 -28.224 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.026 3.727 -27.102 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.575 3.486 -26.909 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.619 2.140 -28.030 1.00 0.00 H new ATOM 652 N GLU A 41 -6.932 3.271 -24.265 1.00 0.00 N ATOM 653 CA GLU A 41 -6.532 3.916 -23.027 1.00 0.00 C ATOM 654 C GLU A 41 -6.460 2.905 -21.888 1.00 0.00 C ATOM 655 O GLU A 41 -5.593 3.001 -21.027 1.00 0.00 O ATOM 656 CB GLU A 41 -7.482 5.062 -22.677 1.00 0.00 C ATOM 657 CG GLU A 41 -7.385 6.236 -23.635 1.00 0.00 C ATOM 658 CD GLU A 41 -8.375 7.335 -23.327 1.00 0.00 C ATOM 659 OE1 GLU A 41 -9.325 7.526 -24.113 1.00 0.00 O ATOM 660 OE2 GLU A 41 -8.202 8.028 -22.302 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.871 3.514 -24.580 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.536 4.335 -23.172 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.506 4.688 -22.674 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.266 5.408 -21.666 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.375 6.644 -23.599 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.549 5.882 -24.653 1.00 0.00 H new ATOM 667 N LEU A 42 -7.359 1.921 -21.903 1.00 0.00 N ATOM 668 CA LEU A 42 -7.378 0.876 -20.883 1.00 0.00 C ATOM 669 C LEU A 42 -6.117 0.048 -20.983 1.00 0.00 C ATOM 670 O LEU A 42 -5.558 -0.380 -19.972 1.00 0.00 O ATOM 671 CB LEU A 42 -8.611 -0.025 -21.038 1.00 0.00 C ATOM 672 CG LEU A 42 -9.967 0.635 -20.770 1.00 0.00 C ATOM 673 CD1 LEU A 42 -11.098 -0.328 -21.077 1.00 0.00 C ATOM 674 CD2 LEU A 42 -10.056 1.110 -19.330 1.00 0.00 C ATOM 0 H LEU A 42 -8.085 1.827 -22.613 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.428 1.351 -19.903 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.619 -0.424 -22.052 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.503 -0.873 -20.362 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.060 1.501 -21.426 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.053 0.158 -20.881 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.050 -0.623 -22.125 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.005 -1.212 -20.446 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.027 1.576 -19.160 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.939 0.259 -18.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.266 1.836 -19.137 1.00 0.00 H new ATOM 686 N ILE A 43 -5.671 -0.170 -22.214 1.00 0.00 N ATOM 687 CA ILE A 43 -4.438 -0.888 -22.462 1.00 0.00 C ATOM 688 C ILE A 43 -3.281 -0.137 -21.820 1.00 0.00 C ATOM 689 O ILE A 43 -2.430 -0.732 -21.165 1.00 0.00 O ATOM 690 CB ILE A 43 -4.160 -1.036 -23.979 1.00 0.00 C ATOM 691 CG1 ILE A 43 -5.272 -1.842 -24.654 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.804 -1.691 -24.213 1.00 0.00 C ATOM 693 CD1 ILE A 43 -5.121 -1.947 -26.158 1.00 0.00 C ATOM 0 H ILE A 43 -6.152 0.144 -23.057 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.537 -1.885 -22.032 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.141 -0.041 -24.423 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.291 -2.845 -24.229 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.233 -1.381 -24.425 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.626 -1.787 -25.284 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.021 -1.076 -23.769 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.793 -2.679 -23.754 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.945 -2.532 -26.566 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.133 -0.949 -26.595 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.176 -2.436 -26.396 1.00 0.00 H new ATOM 705 N GLN A 44 -3.282 1.180 -21.992 1.00 0.00 N ATOM 706 CA GLN A 44 -2.238 2.031 -21.437 1.00 0.00 C ATOM 707 C GLN A 44 -2.274 1.985 -19.906 1.00 0.00 C ATOM 708 O GLN A 44 -1.242 1.851 -19.257 1.00 0.00 O ATOM 709 CB GLN A 44 -2.421 3.478 -21.915 1.00 0.00 C ATOM 710 CG GLN A 44 -2.492 3.636 -23.431 1.00 0.00 C ATOM 711 CD GLN A 44 -1.286 3.070 -24.156 1.00 0.00 C ATOM 712 OE1 GLN A 44 -0.174 3.063 -23.633 1.00 0.00 O ATOM 713 NE2 GLN A 44 -1.501 2.591 -25.363 1.00 0.00 N ATOM 0 H GLN A 44 -3.999 1.683 -22.515 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.272 1.662 -21.782 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.334 3.880 -21.477 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.595 4.080 -21.537 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.391 3.142 -23.798 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.588 4.694 -23.674 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.440 2.615 -25.762 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.729 2.195 -25.900 1.00 0.00 H new ATOM 722 N LYS A 45 -3.482 2.074 -19.348 1.00 0.00 N ATOM 723 CA LYS A 45 -3.683 2.051 -17.891 1.00 0.00 C ATOM 724 C LYS A 45 -3.208 0.724 -17.292 1.00 0.00 C ATOM 725 O LYS A 45 -2.612 0.691 -16.213 1.00 0.00 O ATOM 726 CB LYS A 45 -5.170 2.267 -17.559 1.00 0.00 C ATOM 727 CG LYS A 45 -5.741 3.582 -18.079 1.00 0.00 C ATOM 728 CD LYS A 45 -7.265 3.616 -17.977 1.00 0.00 C ATOM 729 CE LYS A 45 -7.835 4.867 -18.638 1.00 0.00 C ATOM 730 NZ LYS A 45 -9.327 4.904 -18.616 1.00 0.00 N1+ ATOM 0 H LYS A 45 -4.345 2.163 -19.885 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.093 2.858 -17.455 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.748 1.442 -17.977 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.298 2.230 -16.477 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.320 4.412 -17.511 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.443 3.723 -19.118 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.684 2.728 -18.451 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.563 3.588 -16.929 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.447 5.750 -18.130 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.490 4.916 -19.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.648 5.884 -18.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.697 4.539 -19.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.677 4.315 -17.834 1.00 0.00 H new ATOM 744 N HIS A 46 -3.469 -0.357 -18.011 1.00 0.00 N ATOM 745 CA HIS A 46 -3.107 -1.702 -17.575 1.00 0.00 C ATOM 746 C HIS A 46 -1.603 -1.947 -17.768 1.00 0.00 C ATOM 747 O HIS A 46 -0.934 -2.476 -16.884 1.00 0.00 O ATOM 748 CB HIS A 46 -3.957 -2.713 -18.368 1.00 0.00 C ATOM 749 CG HIS A 46 -3.662 -4.169 -18.140 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.955 -4.848 -16.971 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.169 -5.089 -18.986 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.649 -6.125 -17.123 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.171 -6.297 -18.344 1.00 0.00 N ATOM 0 H HIS A 46 -3.939 -0.329 -18.916 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.310 -1.822 -16.511 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.006 -2.537 -18.129 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.832 -2.503 -19.430 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.345 -4.430 -16.126 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.831 -4.907 -19.995 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.769 -6.897 -16.377 1.00 0.00 H new ATOM 761 N ARG A 47 -1.085 -1.545 -18.926 1.00 0.00 N ATOM 762 CA ARG A 47 0.343 -1.678 -19.242 1.00 0.00 C ATOM 763 C ARG A 47 1.212 -0.854 -18.294 1.00 0.00 C ATOM 764 O ARG A 47 2.293 -1.285 -17.899 1.00 0.00 O ATOM 765 CB ARG A 47 0.608 -1.258 -20.698 1.00 0.00 C ATOM 766 CG ARG A 47 2.075 -1.002 -21.012 1.00 0.00 C ATOM 767 CD ARG A 47 2.282 -0.624 -22.468 1.00 0.00 C ATOM 768 NE ARG A 47 2.269 -1.792 -23.348 1.00 0.00 N ATOM 769 CZ ARG A 47 2.177 -1.738 -24.680 1.00 0.00 C ATOM 770 NH1 ARG A 47 2.053 -0.568 -25.303 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 2.224 -2.858 -25.389 1.00 0.00 N ATOM 0 H ARG A 47 -1.636 -1.119 -19.671 1.00 0.00 H new ATOM 0 HA ARG A 47 0.611 -2.727 -19.114 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.235 -2.037 -21.363 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.038 -0.354 -20.914 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.450 -0.203 -20.372 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.657 -1.894 -20.782 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.500 0.070 -22.776 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.232 -0.101 -22.575 1.00 0.00 H new ATOM 0 HE ARG A 47 2.335 -2.713 -22.914 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.028 0.297 -24.763 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.983 -0.537 -26.320 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.330 -3.756 -24.917 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.154 -2.821 -26.406 1.00 0.00 H new ATOM 785 N GLN A 48 0.718 0.315 -17.912 1.00 0.00 N ATOM 786 CA GLN A 48 1.457 1.218 -17.039 1.00 0.00 C ATOM 787 C GLN A 48 1.793 0.558 -15.707 1.00 0.00 C ATOM 788 O GLN A 48 2.843 0.822 -15.117 1.00 0.00 O ATOM 789 CB GLN A 48 0.655 2.494 -16.806 1.00 0.00 C ATOM 790 CG GLN A 48 1.306 3.468 -15.844 1.00 0.00 C ATOM 791 CD GLN A 48 0.500 4.731 -15.673 1.00 0.00 C ATOM 792 OE1 GLN A 48 -0.727 4.723 -15.801 1.00 0.00 O ATOM 793 NE2 GLN A 48 1.175 5.817 -15.382 1.00 0.00 N ATOM 0 H GLN A 48 -0.198 0.663 -18.195 1.00 0.00 H new ATOM 0 HA GLN A 48 2.396 1.468 -17.533 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.501 2.993 -17.763 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.330 2.226 -16.424 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.433 2.987 -14.874 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.302 3.722 -16.207 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.190 5.776 -15.286 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.685 6.702 -15.252 1.00 0.00 H new ATOM 802 N LEU A 49 0.921 -0.313 -15.244 1.00 0.00 N ATOM 803 CA LEU A 49 1.146 -0.998 -13.992 1.00 0.00 C ATOM 804 C LEU A 49 2.226 -2.055 -14.158 1.00 0.00 C ATOM 805 O LEU A 49 3.013 -2.289 -13.249 1.00 0.00 O ATOM 806 CB LEU A 49 -0.152 -1.628 -13.496 1.00 0.00 C ATOM 807 CG LEU A 49 -1.269 -0.641 -13.156 1.00 0.00 C ATOM 808 CD1 LEU A 49 -2.557 -1.378 -12.861 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.873 0.232 -11.971 1.00 0.00 C ATOM 0 H LEU A 49 0.052 -0.562 -15.716 1.00 0.00 H new ATOM 0 HA LEU A 49 1.484 -0.275 -13.250 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.517 -2.316 -14.258 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.068 -2.222 -12.609 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.429 0.004 -14.020 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.341 -0.659 -12.621 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.852 -1.959 -13.735 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.407 -2.048 -12.014 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.681 0.927 -11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.683 -0.398 -11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.029 0.792 -12.217 1.00 0.00 H new ATOM 821 N PHE A 50 2.277 -2.649 -15.349 1.00 0.00 N ATOM 822 CA PHE A 50 3.249 -3.695 -15.670 1.00 0.00 C ATOM 823 C PHE A 50 4.656 -3.115 -15.820 1.00 0.00 C ATOM 824 O PHE A 50 5.651 -3.786 -15.536 1.00 0.00 O ATOM 825 CB PHE A 50 2.830 -4.431 -16.955 1.00 0.00 C ATOM 826 CG PHE A 50 3.861 -5.399 -17.472 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.194 -6.532 -16.748 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.495 -5.172 -18.684 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.140 -7.420 -17.221 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.443 -6.057 -19.162 1.00 0.00 C ATOM 831 CZ PHE A 50 5.766 -7.182 -18.429 1.00 0.00 C ATOM 0 H PHE A 50 1.647 -2.420 -16.118 1.00 0.00 H new ATOM 0 HA PHE A 50 3.268 -4.407 -14.845 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.902 -4.971 -16.766 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.617 -3.695 -17.730 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.708 -6.723 -15.803 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.245 -4.294 -19.261 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.390 -8.300 -16.647 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.930 -5.869 -20.107 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.507 -7.875 -18.800 1.00 0.00 H new ATOM 841 N ASP A 51 4.739 -1.863 -16.259 1.00 0.00 N ATOM 842 CA ASP A 51 6.034 -1.204 -16.417 1.00 0.00 C ATOM 843 C ASP A 51 6.647 -0.918 -15.063 1.00 0.00 C ATOM 844 O ASP A 51 7.858 -0.732 -14.940 1.00 0.00 O ATOM 845 CB ASP A 51 5.918 0.091 -17.229 1.00 0.00 C ATOM 846 CG ASP A 51 5.893 -0.155 -18.725 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.968 -0.415 -19.311 1.00 0.00 O ATOM 848 OD2 ASP A 51 4.806 -0.078 -19.326 1.00 0.00 O1- ATOM 0 H ASP A 51 3.935 -1.288 -16.510 1.00 0.00 H new ATOM 0 HA ASP A 51 6.683 -1.884 -16.969 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.010 0.618 -16.937 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.757 0.743 -16.986 1.00 0.00 H new ATOM 853 N ASN A 52 5.807 -0.890 -14.049 1.00 0.00 N ATOM 854 CA ASN A 52 6.255 -0.680 -12.689 1.00 0.00 C ATOM 855 C ASN A 52 6.393 -2.023 -11.985 1.00 0.00 C ATOM 856 O ASN A 52 7.505 -2.504 -11.754 1.00 0.00 O ATOM 857 CB ASN A 52 5.286 0.237 -11.927 1.00 0.00 C ATOM 858 CG ASN A 52 5.363 1.691 -12.376 1.00 0.00 C ATOM 859 OD1 ASN A 52 6.144 2.475 -11.842 1.00 0.00 O ATOM 860 ND2 ASN A 52 4.554 2.062 -13.355 1.00 0.00 N ATOM 0 H ASN A 52 4.799 -1.012 -14.144 1.00 0.00 H new ATOM 0 HA ASN A 52 7.227 -0.188 -12.710 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.267 -0.126 -12.064 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.504 0.180 -10.860 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.566 3.026 -13.689 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.918 1.384 -13.776 1.00 0.00 H new ATOM 867 N ARG A 53 5.264 -2.613 -11.624 1.00 0.00 N ATOM 868 CA ARG A 53 5.239 -3.941 -11.025 1.00 0.00 C ATOM 869 C ARG A 53 5.102 -4.994 -12.119 1.00 0.00 C ATOM 870 O ARG A 53 4.142 -4.978 -12.878 1.00 0.00 O ATOM 871 CB ARG A 53 4.059 -4.055 -10.053 1.00 0.00 C ATOM 872 CG ARG A 53 3.971 -2.919 -9.039 1.00 0.00 C ATOM 873 CD ARG A 53 5.157 -2.912 -8.091 1.00 0.00 C ATOM 874 NE ARG A 53 5.171 -4.082 -7.211 1.00 0.00 N ATOM 875 CZ ARG A 53 6.198 -4.430 -6.438 1.00 0.00 C ATOM 876 NH1 ARG A 53 7.332 -3.737 -6.474 1.00 0.00 N1+ ATOM 877 NH2 ARG A 53 6.092 -5.480 -5.640 1.00 0.00 N ATOM 0 H ARG A 53 4.343 -2.189 -11.737 1.00 0.00 H new ATOM 0 HA ARG A 53 6.169 -4.103 -10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.133 -4.088 -10.626 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.135 -5.001 -9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.922 -1.966 -9.565 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.049 -3.015 -8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.081 -2.883 -8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.131 -2.005 -7.486 1.00 0.00 H new ATOM 0 HE ARG A 53 4.338 -4.670 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.419 -2.934 -7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.115 -4.009 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.226 -6.019 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.876 -5.750 -5.046 1.00 0.00 H new ATOM 891 N GLN A 54 6.061 -5.899 -12.201 1.00 0.00 N ATOM 892 CA GLN A 54 6.032 -6.920 -13.233 1.00 0.00 C ATOM 893 C GLN A 54 5.362 -8.199 -12.739 1.00 0.00 C ATOM 894 O GLN A 54 4.150 -8.348 -12.856 1.00 0.00 O ATOM 895 CB GLN A 54 7.438 -7.218 -13.755 1.00 0.00 C ATOM 896 CG GLN A 54 8.162 -6.002 -14.304 1.00 0.00 C ATOM 897 CD GLN A 54 9.471 -6.360 -14.973 1.00 0.00 C ATOM 898 OE1 GLN A 54 10.115 -7.354 -14.622 1.00 0.00 O ATOM 899 NE2 GLN A 54 9.879 -5.556 -15.933 1.00 0.00 N ATOM 0 H GLN A 54 6.862 -5.948 -11.572 1.00 0.00 H new ATOM 0 HA GLN A 54 5.437 -6.528 -14.057 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.031 -7.648 -12.948 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.371 -7.973 -14.538 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.518 -5.493 -15.021 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.353 -5.300 -13.493 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.317 -4.745 -16.193 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.757 -5.744 -16.417 1.00 0.00 H new ATOM 908 N GLU A 55 6.166 -9.111 -12.158 1.00 0.00 N ATOM 909 CA GLU A 55 5.670 -10.407 -11.670 1.00 0.00 C ATOM 910 C GLU A 55 4.754 -11.094 -12.677 1.00 0.00 C ATOM 911 O GLU A 55 3.683 -11.595 -12.328 1.00 0.00 O ATOM 912 CB GLU A 55 4.990 -10.269 -10.303 1.00 0.00 C ATOM 913 CG GLU A 55 5.960 -10.177 -9.124 1.00 0.00 C ATOM 914 CD GLU A 55 6.976 -9.069 -9.260 1.00 0.00 C ATOM 915 OE1 GLU A 55 8.048 -9.309 -9.869 1.00 0.00 O ATOM 916 OE2 GLU A 55 6.725 -7.960 -8.757 1.00 0.00 O1- ATOM 0 H GLU A 55 7.166 -8.970 -12.016 1.00 0.00 H new ATOM 0 HA GLU A 55 6.542 -11.049 -11.546 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.361 -9.379 -10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.331 -11.124 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.390 -10.025 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.483 -11.127 -9.020 1.00 0.00 H new ATOM 923 N ALA A 56 5.208 -11.143 -13.917 1.00 0.00 N ATOM 924 CA ALA A 56 4.454 -11.753 -14.991 1.00 0.00 C ATOM 925 C ALA A 56 4.477 -13.266 -14.873 1.00 0.00 C ATOM 926 O ALA A 56 3.587 -13.946 -15.386 1.00 0.00 O ATOM 927 CB ALA A 56 5.020 -11.326 -16.334 1.00 0.00 C ATOM 0 H ALA A 56 6.109 -10.761 -14.205 1.00 0.00 H new ATOM 0 HA ALA A 56 3.419 -11.418 -14.918 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.445 -11.791 -17.135 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.960 -10.242 -16.426 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.062 -11.639 -16.406 1.00 0.00 H new ATOM 933 N ALA A 57 5.515 -13.782 -14.195 1.00 0.00 N ATOM 934 CA ALA A 57 5.721 -15.229 -13.993 1.00 0.00 C ATOM 935 C ALA A 57 6.131 -15.917 -15.294 1.00 0.00 C ATOM 936 O ALA A 57 7.159 -16.599 -15.351 1.00 0.00 O ATOM 937 CB ALA A 57 4.486 -15.893 -13.385 1.00 0.00 C ATOM 0 H ALA A 57 6.240 -13.205 -13.768 1.00 0.00 H new ATOM 0 HA ALA A 57 6.539 -15.344 -13.282 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.675 -16.958 -13.251 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.267 -15.439 -12.419 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.634 -15.757 -14.051 1.00 0.00 H new ATOM 943 N ASP A 58 5.332 -15.741 -16.325 1.00 0.00 N ATOM 944 CA ASP A 58 5.620 -16.297 -17.628 1.00 0.00 C ATOM 945 C ASP A 58 5.845 -15.167 -18.613 1.00 0.00 C ATOM 946 O ASP A 58 4.968 -14.324 -18.815 1.00 0.00 O ATOM 947 CB ASP A 58 4.473 -17.187 -18.103 1.00 0.00 C ATOM 948 CG ASP A 58 4.774 -17.840 -19.431 1.00 0.00 C ATOM 949 OD1 ASP A 58 5.487 -18.862 -19.443 1.00 0.00 O ATOM 950 OD2 ASP A 58 4.310 -17.335 -20.468 1.00 0.00 O1- ATOM 0 H ASP A 58 4.464 -15.208 -16.282 1.00 0.00 H new ATOM 0 HA ASP A 58 6.518 -16.911 -17.561 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.279 -17.957 -17.356 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.564 -16.591 -18.190 1.00 0.00 H new ATOM 955 N THR A 59 7.018 -15.136 -19.210 1.00 0.00 N ATOM 956 CA THR A 59 7.372 -14.070 -20.130 1.00 0.00 C ATOM 957 C THR A 59 6.522 -14.076 -21.402 1.00 0.00 C ATOM 958 O THR A 59 6.290 -13.021 -21.998 1.00 0.00 O ATOM 959 CB THR A 59 8.870 -14.096 -20.492 1.00 0.00 C ATOM 960 OG1 THR A 59 9.272 -15.418 -20.892 1.00 0.00 O ATOM 961 CG2 THR A 59 9.715 -13.636 -19.314 1.00 0.00 C ATOM 0 H THR A 59 7.746 -15.838 -19.076 1.00 0.00 H new ATOM 0 HA THR A 59 7.160 -13.142 -19.598 1.00 0.00 H new ATOM 0 HB THR A 59 9.026 -13.412 -21.326 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.225 -15.415 -21.120 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.769 -13.662 -19.590 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.436 -12.618 -19.042 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.546 -14.298 -18.465 1.00 0.00 H new ATOM 969 N GLU A 60 6.043 -15.248 -21.814 1.00 0.00 N ATOM 970 CA GLU A 60 5.221 -15.330 -23.010 1.00 0.00 C ATOM 971 C GLU A 60 3.869 -14.673 -22.778 1.00 0.00 C ATOM 972 O GLU A 60 3.299 -14.090 -23.688 1.00 0.00 O ATOM 973 CB GLU A 60 5.020 -16.768 -23.478 1.00 0.00 C ATOM 974 CG GLU A 60 4.368 -16.849 -24.853 1.00 0.00 C ATOM 975 CD GLU A 60 3.916 -18.236 -25.224 1.00 0.00 C ATOM 976 OE1 GLU A 60 4.601 -19.213 -24.857 1.00 0.00 O ATOM 977 OE2 GLU A 60 2.874 -18.359 -25.908 1.00 0.00 O1- ATOM 0 H GLU A 60 6.208 -16.138 -21.344 1.00 0.00 H new ATOM 0 HA GLU A 60 5.756 -14.796 -23.796 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.984 -17.275 -23.506 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.401 -17.299 -22.754 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.510 -16.177 -24.879 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.075 -16.493 -25.603 1.00 0.00 H new ATOM 984 N ALA A 61 3.363 -14.764 -21.552 1.00 0.00 N ATOM 985 CA ALA A 61 2.071 -14.172 -21.219 1.00 0.00 C ATOM 986 C ALA A 61 2.089 -12.669 -21.463 1.00 0.00 C ATOM 987 O ALA A 61 1.164 -12.118 -22.063 1.00 0.00 O ATOM 988 CB ALA A 61 1.711 -14.468 -19.770 1.00 0.00 C ATOM 0 H ALA A 61 3.824 -15.239 -20.776 1.00 0.00 H new ATOM 0 HA ALA A 61 1.314 -14.616 -21.865 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.745 -14.020 -19.536 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.656 -15.546 -19.622 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.473 -14.050 -19.113 1.00 0.00 H new ATOM 994 N ALA A 62 3.149 -12.009 -21.009 1.00 0.00 N ATOM 995 CA ALA A 62 3.317 -10.584 -21.248 1.00 0.00 C ATOM 996 C ALA A 62 3.473 -10.308 -22.738 1.00 0.00 C ATOM 997 O ALA A 62 2.896 -9.360 -23.270 1.00 0.00 O ATOM 998 CB ALA A 62 4.524 -10.061 -20.484 1.00 0.00 C ATOM 0 H ALA A 62 3.903 -12.440 -20.474 1.00 0.00 H new ATOM 0 HA ALA A 62 2.427 -10.065 -20.893 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.639 -8.993 -20.671 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.380 -10.229 -19.417 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.420 -10.586 -20.816 1.00 0.00 H new ATOM 1004 N LYS A 63 4.240 -11.161 -23.408 1.00 0.00 N ATOM 1005 CA LYS A 63 4.473 -11.024 -24.839 1.00 0.00 C ATOM 1006 C LYS A 63 3.194 -11.218 -25.641 1.00 0.00 C ATOM 1007 O LYS A 63 3.006 -10.577 -26.677 1.00 0.00 O ATOM 1008 CB LYS A 63 5.565 -11.979 -25.305 1.00 0.00 C ATOM 1009 CG LYS A 63 6.959 -11.517 -24.925 1.00 0.00 C ATOM 1010 CD LYS A 63 8.010 -12.542 -25.297 1.00 0.00 C ATOM 1011 CE LYS A 63 9.411 -11.951 -25.214 1.00 0.00 C ATOM 1012 NZ LYS A 63 9.694 -11.363 -23.884 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.712 -11.957 -22.980 1.00 0.00 H new ATOM 0 HA LYS A 63 4.814 -10.004 -25.019 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.385 -12.965 -24.876 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.507 -12.088 -26.388 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.178 -10.573 -25.424 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.000 -11.327 -23.852 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.935 -13.401 -24.631 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.825 -12.905 -26.308 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.144 -12.728 -25.429 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.526 -11.184 -25.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.701 -11.112 -23.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.115 -10.509 -23.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.464 -12.055 -23.142 1.00 0.00 H new ATOM 1026 N GLN A 64 2.305 -12.088 -25.164 1.00 0.00 N ATOM 1027 CA GLN A 64 1.024 -12.286 -25.816 1.00 0.00 C ATOM 1028 C GLN A 64 0.229 -10.997 -25.741 1.00 0.00 C ATOM 1029 O GLN A 64 -0.439 -10.608 -26.695 1.00 0.00 O ATOM 1030 CB GLN A 64 0.233 -13.419 -25.148 1.00 0.00 C ATOM 1031 CG GLN A 64 0.705 -14.831 -25.482 1.00 0.00 C ATOM 1032 CD GLN A 64 0.543 -15.178 -26.953 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -0.309 -14.622 -27.647 1.00 0.00 O ATOM 1034 NE2 GLN A 64 1.324 -16.130 -27.423 1.00 0.00 N ATOM 0 H GLN A 64 2.452 -12.661 -24.333 1.00 0.00 H new ATOM 0 HA GLN A 64 1.199 -12.562 -26.856 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.280 -13.284 -24.067 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.814 -13.327 -25.435 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.754 -14.933 -25.203 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.144 -15.547 -24.881 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.018 -16.566 -26.816 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.234 -16.430 -28.394 1.00 0.00 H new ATOM 1043 N GLY A 65 0.315 -10.334 -24.587 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.350 -9.061 -24.407 1.00 0.00 C ATOM 1045 C GLY A 65 0.164 -8.015 -25.367 1.00 0.00 C ATOM 1046 O GLY A 65 -0.620 -7.277 -25.956 1.00 0.00 O ATOM 0 H GLY A 65 0.837 -10.661 -23.774 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.423 -9.189 -24.550 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.204 -8.717 -23.383 1.00 0.00 H new ATOM 1050 N ASP A 66 1.480 -7.956 -25.540 1.00 0.00 N ATOM 1051 CA ASP A 66 2.081 -7.027 -26.499 1.00 0.00 C ATOM 1052 C ASP A 66 1.574 -7.300 -27.903 1.00 0.00 C ATOM 1053 O ASP A 66 1.299 -6.374 -28.670 1.00 0.00 O ATOM 1054 CB ASP A 66 3.609 -7.104 -26.468 1.00 0.00 C ATOM 1055 CG ASP A 66 4.221 -6.196 -25.428 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.543 -5.035 -25.770 1.00 0.00 O ATOM 1057 OD2 ASP A 66 4.384 -6.620 -24.271 1.00 0.00 O1- ATOM 0 H ASP A 66 2.150 -8.535 -25.034 1.00 0.00 H new ATOM 0 HA ASP A 66 1.785 -6.019 -26.208 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.912 -8.132 -26.270 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.001 -6.840 -27.450 1.00 0.00 H new ATOM 1062 N GLN A 67 1.452 -8.572 -28.239 1.00 0.00 N ATOM 1063 CA GLN A 67 0.931 -8.968 -29.536 1.00 0.00 C ATOM 1064 C GLN A 67 -0.546 -8.606 -29.657 1.00 0.00 C ATOM 1065 O GLN A 67 -1.005 -8.189 -30.718 1.00 0.00 O ATOM 1066 CB GLN A 67 1.131 -10.464 -29.771 1.00 0.00 C ATOM 1067 CG GLN A 67 2.589 -10.885 -29.835 1.00 0.00 C ATOM 1068 CD GLN A 67 3.375 -10.110 -30.879 1.00 0.00 C ATOM 1069 OE1 GLN A 67 2.826 -9.663 -31.884 1.00 0.00 O ATOM 1070 NE2 GLN A 67 4.661 -9.962 -30.654 1.00 0.00 N ATOM 0 H GLN A 67 1.707 -9.350 -27.631 1.00 0.00 H new ATOM 0 HA GLN A 67 1.486 -8.424 -30.300 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.638 -11.017 -28.972 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.640 -10.745 -30.703 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.049 -10.740 -28.857 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.646 -11.950 -30.059 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.078 -10.348 -29.807 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.242 -9.461 -31.326 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.280 -8.757 -28.561 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.699 -8.423 -28.529 1.00 0.00 C ATOM 1081 C TRP A 68 -2.885 -6.935 -28.796 1.00 0.00 C ATOM 1082 O TRP A 68 -3.800 -6.529 -29.507 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.312 -8.801 -27.174 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.811 -8.706 -27.144 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.687 -9.703 -27.438 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.609 -7.561 -26.800 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.976 -9.259 -27.307 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.959 -7.948 -26.916 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.317 -6.251 -26.407 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -8.011 -7.075 -26.655 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.363 -5.387 -26.148 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.695 -5.801 -26.273 1.00 0.00 C ATOM 0 H TRP A 68 -0.913 -9.111 -27.677 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.211 -8.991 -29.306 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.016 -9.819 -26.922 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.900 -8.149 -26.404 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.406 -10.703 -27.733 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.814 -9.816 -27.474 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.293 -5.921 -26.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -9.039 -7.392 -26.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -6.150 -4.373 -25.843 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.489 -5.099 -26.063 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.987 -6.128 -28.236 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.035 -4.685 -28.420 1.00 0.00 C ATOM 1105 C VAL A 69 -1.783 -4.353 -29.883 1.00 0.00 C ATOM 1106 O VAL A 69 -2.420 -3.468 -30.454 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.988 -3.954 -27.540 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.045 -2.448 -27.761 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -1.203 -4.280 -26.073 1.00 0.00 C ATOM 0 H VAL A 69 -1.217 -6.452 -27.651 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.025 -4.343 -28.117 1.00 0.00 H new ATOM 0 HB VAL A 69 0.001 -4.304 -27.834 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.301 -1.960 -27.132 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.838 -2.226 -28.808 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.037 -2.080 -27.502 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.459 -3.758 -25.471 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.201 -3.962 -25.772 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.104 -5.355 -25.921 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.867 -5.099 -30.490 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.524 -4.929 -31.875 1.00 0.00 C ATOM 1121 C GLN A 70 -1.718 -5.283 -32.758 1.00 0.00 C ATOM 1122 O GLN A 70 -2.054 -4.553 -33.690 1.00 0.00 O ATOM 1123 CB GLN A 70 0.662 -5.825 -32.202 1.00 0.00 C ATOM 1124 CG GLN A 70 1.089 -5.788 -33.645 1.00 0.00 C ATOM 1125 CD GLN A 70 1.539 -4.412 -34.088 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.067 -3.629 -33.294 1.00 0.00 O ATOM 1127 NE2 GLN A 70 1.335 -4.108 -35.353 1.00 0.00 N ATOM 0 H GLN A 70 -0.345 -5.840 -30.022 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.257 -3.889 -32.064 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.506 -5.532 -31.578 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.411 -6.852 -31.936 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.902 -6.498 -33.797 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.260 -6.114 -34.273 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.895 -4.785 -35.976 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.617 -3.195 -35.710 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.364 -6.399 -32.442 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.534 -6.846 -33.180 1.00 0.00 C ATOM 1138 C LEU A 71 -4.681 -5.865 -32.999 1.00 0.00 C ATOM 1139 O LEU A 71 -5.419 -5.591 -33.937 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.964 -8.240 -32.710 1.00 0.00 C ATOM 1141 CG LEU A 71 -2.991 -9.383 -32.999 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.394 -10.628 -32.226 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -2.956 -9.682 -34.488 1.00 0.00 C ATOM 0 H LEU A 71 -2.093 -7.013 -31.674 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.273 -6.895 -34.237 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.135 -8.200 -31.634 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.920 -8.478 -33.176 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.995 -9.079 -32.679 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.692 -11.433 -32.442 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.382 -10.413 -31.158 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.398 -10.932 -32.523 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.259 -10.498 -34.679 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.952 -9.969 -34.825 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.632 -8.794 -35.030 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.826 -5.336 -31.785 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.866 -4.355 -31.516 1.00 0.00 C ATOM 1157 C PHE A 72 -5.617 -3.095 -32.318 1.00 0.00 C ATOM 1158 O PHE A 72 -6.540 -2.521 -32.889 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.968 -4.011 -30.028 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.953 -2.903 -29.770 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -8.315 -3.145 -29.830 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.515 -1.615 -29.498 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -9.222 -2.127 -29.626 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -7.418 -0.593 -29.288 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.773 -0.847 -29.355 1.00 0.00 C ATOM 0 H PHE A 72 -4.241 -5.569 -30.982 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.814 -4.801 -31.816 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.267 -4.899 -29.471 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.986 -3.717 -29.656 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.671 -4.143 -30.039 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.456 -1.410 -29.450 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.282 -2.329 -29.678 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.065 0.404 -29.071 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.482 -0.048 -29.196 1.00 0.00 H new ATOM 1175 N GLN A 73 -4.367 -2.664 -32.359 1.00 0.00 N ATOM 1176 CA GLN A 73 -4.001 -1.497 -33.133 1.00 0.00 C ATOM 1177 C GLN A 73 -4.217 -1.754 -34.603 1.00 0.00 C ATOM 1178 O GLN A 73 -4.618 -0.868 -35.340 1.00 0.00 O ATOM 1179 CB GLN A 73 -2.562 -1.078 -32.851 1.00 0.00 C ATOM 1180 CG GLN A 73 -2.407 -0.372 -31.519 1.00 0.00 C ATOM 1181 CD GLN A 73 -3.260 0.882 -31.438 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -3.496 1.556 -32.444 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -3.737 1.199 -30.256 1.00 0.00 N ATOM 0 H GLN A 73 -3.592 -3.106 -31.865 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.645 -0.671 -32.833 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.922 -1.960 -32.866 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.217 -0.420 -33.648 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.685 -1.052 -30.714 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.360 -0.109 -31.368 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.521 0.618 -29.446 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.324 2.026 -30.148 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.965 -2.984 -35.021 1.00 0.00 N ATOM 1193 CA ARG A 74 -4.202 -3.389 -36.391 1.00 0.00 C ATOM 1194 C ARG A 74 -5.708 -3.349 -36.672 1.00 0.00 C ATOM 1195 O ARG A 74 -6.147 -2.918 -37.731 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.661 -4.807 -36.619 1.00 0.00 C ATOM 1197 CG ARG A 74 -3.469 -5.162 -38.076 1.00 0.00 C ATOM 1198 CD ARG A 74 -2.340 -4.352 -38.676 1.00 0.00 C ATOM 1199 NE ARG A 74 -2.327 -4.420 -40.135 1.00 0.00 N ATOM 1200 CZ ARG A 74 -1.791 -3.489 -40.930 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -1.220 -2.403 -40.405 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 -1.827 -3.644 -42.250 1.00 0.00 N ATOM 0 H ARG A 74 -3.593 -3.722 -34.423 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.688 -2.707 -37.068 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.707 -4.909 -36.101 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.347 -5.524 -36.168 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.251 -6.226 -38.171 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.391 -4.975 -38.626 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.435 -3.312 -38.363 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.388 -4.716 -38.289 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.756 -5.233 -40.577 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.191 -2.281 -39.393 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.812 -1.695 -41.016 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.263 -4.473 -42.654 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.418 -2.934 -42.858 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.472 -3.807 -35.693 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.928 -3.805 -35.764 1.00 0.00 C ATOM 1218 C PHE A 75 -8.450 -2.370 -35.845 1.00 0.00 C ATOM 1219 O PHE A 75 -9.292 -2.049 -36.684 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.523 -4.526 -34.545 1.00 0.00 C ATOM 1221 CG PHE A 75 -10.028 -4.608 -34.546 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.680 -5.597 -35.265 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.788 -3.700 -33.822 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -12.060 -5.678 -35.265 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -12.168 -3.777 -33.819 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.804 -4.767 -34.541 1.00 0.00 C ATOM 0 H PHE A 75 -6.101 -4.192 -34.824 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.236 -4.338 -36.664 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.116 -5.536 -34.501 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.199 -4.012 -33.640 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.103 -6.313 -35.832 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.295 -2.924 -33.254 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.556 -6.453 -35.831 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.748 -3.064 -33.253 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.882 -4.829 -34.540 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.942 -1.511 -34.968 1.00 0.00 N ATOM 1237 CA ARG A 76 -8.329 -0.106 -34.952 1.00 0.00 C ATOM 1238 C ARG A 76 -7.911 0.573 -36.255 1.00 0.00 C ATOM 1239 O ARG A 76 -8.657 1.374 -36.816 1.00 0.00 O ATOM 1240 CB ARG A 76 -7.678 0.613 -33.774 1.00 0.00 C ATOM 1241 CG ARG A 76 -8.558 1.680 -33.151 1.00 0.00 C ATOM 1242 CD ARG A 76 -7.741 2.861 -32.667 1.00 0.00 C ATOM 1243 NE ARG A 76 -7.310 3.708 -33.779 1.00 0.00 N ATOM 1244 CZ ARG A 76 -6.435 4.703 -33.675 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -5.811 4.942 -32.519 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -6.171 5.455 -34.733 1.00 0.00 N ATOM 0 H ARG A 76 -7.258 -1.765 -34.256 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.413 -0.052 -34.849 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.416 -0.121 -33.012 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.747 1.071 -34.108 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.293 2.019 -33.881 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.113 1.253 -32.315 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.332 3.451 -31.967 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.868 2.502 -32.123 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.709 3.522 -34.699 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.004 4.358 -31.705 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.141 5.708 -32.450 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.638 5.269 -35.620 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.501 6.220 -34.660 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.717 0.229 -36.735 1.00 0.00 N ATOM 1261 CA GLU A 77 -6.193 0.765 -37.971 1.00 0.00 C ATOM 1262 C GLU A 77 -7.084 0.341 -39.127 1.00 0.00 C ATOM 1263 O GLU A 77 -7.287 1.090 -40.080 1.00 0.00 O ATOM 1264 CB GLU A 77 -4.767 0.254 -38.183 1.00 0.00 C ATOM 1265 CG GLU A 77 -4.117 0.709 -39.469 1.00 0.00 C ATOM 1266 CD GLU A 77 -3.770 2.186 -39.476 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -2.604 2.525 -39.188 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -4.654 3.013 -39.779 1.00 0.00 O1- ATOM 0 H GLU A 77 -6.092 -0.430 -36.271 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.175 1.854 -37.922 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.151 0.580 -37.345 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.780 -0.836 -38.164 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.209 0.129 -39.634 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.787 0.496 -40.302 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.636 -0.862 -39.024 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.523 -1.379 -40.037 1.00 0.00 C ATOM 1277 C ALA A 78 -9.782 -0.529 -40.107 1.00 0.00 C ATOM 1278 O ALA A 78 -10.256 -0.215 -41.191 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.862 -2.836 -39.768 1.00 0.00 C ATOM 0 H ALA A 78 -7.478 -1.495 -38.240 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.018 -1.331 -41.002 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.532 -3.203 -40.545 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.947 -3.428 -39.768 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.350 -2.923 -38.797 1.00 0.00 H new ATOM 1285 N ILE A 79 -10.318 -0.147 -38.939 1.00 0.00 N ATOM 1286 CA ILE A 79 -11.478 0.742 -38.874 1.00 0.00 C ATOM 1287 C ILE A 79 -11.158 2.080 -39.531 1.00 0.00 C ATOM 1288 O ILE A 79 -11.973 2.627 -40.279 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.908 0.996 -37.398 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -12.369 -0.307 -36.730 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -13.003 2.058 -37.316 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -13.636 -0.888 -37.325 1.00 0.00 C ATOM 0 H ILE A 79 -9.964 -0.442 -38.029 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.296 0.255 -39.405 1.00 0.00 H new ATOM 0 HB ILE A 79 -11.037 1.368 -36.859 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -11.571 -1.046 -36.808 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -12.530 -0.122 -35.668 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -13.282 2.213 -36.274 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.634 2.994 -37.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.875 1.726 -37.879 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -13.897 -1.807 -36.800 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -14.449 -0.169 -37.223 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -13.475 -1.107 -38.381 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.957 2.586 -39.276 1.00 0.00 N ATOM 1305 CA ASP A 80 -9.523 3.851 -39.860 1.00 0.00 C ATOM 1306 C ASP A 80 -9.421 3.736 -41.372 1.00 0.00 C ATOM 1307 O ASP A 80 -9.757 4.666 -42.102 1.00 0.00 O ATOM 1308 CB ASP A 80 -8.169 4.292 -39.283 1.00 0.00 C ATOM 1309 CG ASP A 80 -8.283 4.931 -37.914 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -7.790 4.340 -36.921 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -8.856 6.035 -37.819 1.00 0.00 O1- ATOM 0 H ASP A 80 -9.267 2.141 -38.670 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.270 4.604 -39.608 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.509 3.427 -39.219 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.702 4.999 -39.969 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.975 2.582 -41.837 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.831 2.330 -43.266 1.00 0.00 C ATOM 1318 C LYS A 81 -10.149 1.891 -43.900 1.00 0.00 C ATOM 1319 O LYS A 81 -10.243 1.773 -45.124 1.00 0.00 O ATOM 1320 CB LYS A 81 -7.773 1.253 -43.517 1.00 0.00 C ATOM 1321 CG LYS A 81 -6.387 1.614 -43.025 1.00 0.00 C ATOM 1322 CD LYS A 81 -5.372 0.553 -43.410 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.967 0.956 -43.002 1.00 0.00 C ATOM 1324 NZ LYS A 81 -3.564 2.246 -43.610 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.704 1.798 -41.244 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.521 3.268 -43.726 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.089 0.330 -43.031 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.725 1.050 -44.587 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.089 2.575 -43.444 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.402 1.730 -41.941 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.633 -0.392 -42.934 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.407 0.388 -44.487 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.912 1.034 -41.916 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.265 0.178 -43.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.532 2.357 -43.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.845 2.261 -44.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.032 3.028 -43.108 1.00 0.00 H new ATOM 1338 N GLY A 82 -11.163 1.655 -43.077 1.00 0.00 N ATOM 1339 CA GLY A 82 -12.432 1.167 -43.591 1.00 0.00 C ATOM 1340 C GLY A 82 -12.316 -0.254 -44.107 1.00 0.00 C ATOM 1341 O GLY A 82 -13.092 -0.684 -44.959 1.00 0.00 O ATOM 0 H GLY A 82 -11.132 1.792 -42.067 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.184 1.208 -42.803 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.775 1.819 -44.394 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.351 -0.983 -43.578 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.065 -2.334 -44.028 1.00 0.00 C ATOM 1347 C ASP A 83 -11.941 -3.340 -43.292 1.00 0.00 C ATOM 1348 O ASP A 83 -11.631 -3.745 -42.173 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.583 -2.652 -43.801 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.120 -3.902 -44.520 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.642 -4.989 -44.238 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -8.208 -3.795 -45.364 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.744 -0.657 -42.826 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.286 -2.405 -45.093 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.982 -1.806 -44.135 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.403 -2.769 -42.732 1.00 0.00 H new ATOM 1357 N LYS A 84 -13.044 -3.719 -43.919 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.988 -4.661 -43.325 1.00 0.00 C ATOM 1359 C LYS A 84 -13.409 -6.071 -43.324 1.00 0.00 C ATOM 1360 O LYS A 84 -13.664 -6.864 -42.412 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.314 -4.645 -44.097 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.371 -5.594 -43.541 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.590 -5.679 -44.453 1.00 0.00 C ATOM 1364 CE LYS A 84 -18.345 -4.359 -44.519 1.00 0.00 C ATOM 1365 NZ LYS A 84 -18.898 -3.969 -43.198 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.311 -3.387 -44.846 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.172 -4.356 -42.295 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.713 -3.631 -44.091 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.119 -4.905 -45.137 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.939 -6.587 -43.418 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.680 -5.255 -42.552 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.273 -5.966 -45.456 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.258 -6.461 -44.093 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.676 -3.576 -44.878 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -19.157 -4.441 -45.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.594 -3.206 -43.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.361 -4.790 -42.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -18.128 -3.637 -42.584 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.605 -6.356 -44.337 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.011 -7.674 -44.530 1.00 0.00 C ATOM 1381 C ASP A 85 -11.169 -8.077 -43.334 1.00 0.00 C ATOM 1382 O ASP A 85 -11.300 -9.186 -42.807 1.00 0.00 O ATOM 1383 CB ASP A 85 -11.137 -7.682 -45.787 1.00 0.00 C ATOM 1384 CG ASP A 85 -11.932 -7.484 -47.057 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -12.477 -8.478 -47.583 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -12.009 -6.333 -47.539 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.344 -5.678 -45.053 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.825 -8.391 -44.643 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.387 -6.895 -45.707 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.600 -8.629 -45.844 1.00 0.00 H new ATOM 1391 N SER A 86 -10.316 -7.173 -42.905 1.00 0.00 N ATOM 1392 CA SER A 86 -9.422 -7.416 -41.796 1.00 0.00 C ATOM 1393 C SER A 86 -10.160 -7.514 -40.467 1.00 0.00 C ATOM 1394 O SER A 86 -9.728 -8.233 -39.579 1.00 0.00 O ATOM 1395 CB SER A 86 -8.362 -6.323 -41.729 1.00 0.00 C ATOM 1396 OG SER A 86 -7.657 -6.233 -42.959 1.00 0.00 O ATOM 0 H SER A 86 -10.223 -6.245 -43.318 1.00 0.00 H new ATOM 0 HA SER A 86 -8.944 -8.380 -41.971 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.833 -5.366 -41.503 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.664 -6.535 -40.919 1.00 0.00 H new ATOM 0 HG SER A 86 -8.288 -6.044 -43.685 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.283 -6.815 -40.342 1.00 0.00 N ATOM 1403 CA LEU A 87 -12.005 -6.760 -39.071 1.00 0.00 C ATOM 1404 C LEU A 87 -12.437 -8.143 -38.612 1.00 0.00 C ATOM 1405 O LEU A 87 -12.218 -8.508 -37.460 1.00 0.00 O ATOM 1406 CB LEU A 87 -13.229 -5.849 -39.187 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.937 -4.395 -39.544 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -14.229 -3.606 -39.665 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -12.022 -3.767 -38.507 1.00 0.00 C ATOM 0 H LEU A 87 -11.713 -6.281 -41.098 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.321 -6.352 -38.327 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.897 -6.263 -39.942 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.767 -5.871 -38.239 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.430 -4.372 -40.509 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.001 -2.571 -39.920 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.851 -4.044 -40.446 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.764 -3.636 -38.716 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.824 -2.730 -38.777 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.502 -3.802 -37.529 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.082 -4.318 -38.470 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.037 -8.908 -39.510 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.476 -10.264 -39.185 1.00 0.00 C ATOM 1423 C GLU A 88 -12.302 -11.134 -38.733 1.00 0.00 C ATOM 1424 O GLU A 88 -12.382 -11.828 -37.718 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.135 -10.912 -40.400 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.287 -10.120 -40.987 1.00 0.00 C ATOM 1427 CD GLU A 88 -15.916 -10.827 -42.164 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -15.424 -10.651 -43.303 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -16.899 -11.572 -41.959 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.233 -8.618 -40.468 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.195 -10.190 -38.369 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.380 -11.058 -41.172 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.497 -11.901 -40.117 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.042 -9.953 -40.218 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.930 -9.139 -41.301 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.217 -11.071 -39.482 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.048 -11.893 -39.220 1.00 0.00 C ATOM 1438 C GLN A 89 -9.319 -11.462 -37.940 1.00 0.00 C ATOM 1439 O GLN A 89 -8.975 -12.294 -37.101 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.107 -11.828 -40.422 1.00 0.00 C ATOM 1441 CG GLN A 89 -7.934 -12.782 -40.347 1.00 0.00 C ATOM 1442 CD GLN A 89 -7.081 -12.741 -41.597 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -7.574 -12.468 -42.693 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -5.809 -13.019 -41.450 1.00 0.00 N ATOM 0 H GLN A 89 -11.120 -10.451 -40.286 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.379 -12.920 -39.066 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.677 -12.041 -41.327 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.727 -10.811 -40.517 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.320 -12.532 -39.482 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.302 -13.796 -40.194 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.439 -13.240 -40.526 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.189 -13.014 -42.260 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.111 -10.160 -37.787 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.387 -9.625 -36.636 1.00 0.00 C ATOM 1455 C LEU A 90 -9.172 -9.800 -35.345 1.00 0.00 C ATOM 1456 O LEU A 90 -8.587 -10.027 -34.290 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.042 -8.152 -36.855 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.096 -7.861 -38.023 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.946 -6.367 -38.228 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.736 -8.507 -37.790 1.00 0.00 C ATOM 0 H LEU A 90 -9.434 -9.452 -38.446 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.462 -10.193 -36.539 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.968 -7.600 -37.015 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.593 -7.763 -35.941 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.528 -8.291 -38.926 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.270 -6.180 -39.062 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.921 -5.930 -38.446 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.539 -5.915 -37.323 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.080 -8.287 -38.632 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.297 -8.110 -36.875 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.857 -9.586 -37.696 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.493 -9.702 -35.435 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.348 -9.869 -34.265 1.00 0.00 C ATOM 1474 C LEU A 91 -11.172 -11.268 -33.692 1.00 0.00 C ATOM 1475 O LEU A 91 -11.087 -11.452 -32.472 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.816 -9.632 -34.639 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.827 -9.744 -33.495 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.569 -8.679 -32.438 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.247 -9.636 -34.031 1.00 0.00 C ATOM 0 H LEU A 91 -10.994 -9.509 -36.302 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.060 -9.137 -33.511 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.902 -8.638 -35.078 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.093 -10.347 -35.413 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.707 -10.721 -33.026 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.300 -8.778 -31.635 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.565 -8.805 -32.032 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.657 -7.690 -32.888 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.955 -9.717 -33.206 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.377 -8.674 -34.527 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.428 -10.439 -34.745 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.103 -12.246 -34.580 1.00 0.00 N ATOM 1492 CA GLU A 92 -10.906 -13.625 -34.188 1.00 0.00 C ATOM 1493 C GLU A 92 -9.546 -13.810 -33.515 1.00 0.00 C ATOM 1494 O GLU A 92 -9.445 -14.463 -32.469 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.029 -14.537 -35.401 1.00 0.00 C ATOM 1496 CG GLU A 92 -10.846 -16.006 -35.086 1.00 0.00 C ATOM 1497 CD GLU A 92 -11.081 -16.875 -36.286 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -10.133 -17.079 -37.071 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -12.217 -17.355 -36.460 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.182 -12.104 -35.587 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.679 -13.893 -33.467 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.010 -14.392 -35.854 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.288 -14.240 -36.143 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.836 -16.173 -34.711 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.533 -16.294 -34.290 1.00 0.00 H new ATOM 1506 N GLU A 93 -8.504 -13.222 -34.107 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.157 -13.308 -33.555 1.00 0.00 C ATOM 1508 C GLU A 93 -7.099 -12.672 -32.175 1.00 0.00 C ATOM 1509 O GLU A 93 -6.403 -13.160 -31.281 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.158 -12.611 -34.480 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.112 -13.180 -35.885 1.00 0.00 C ATOM 1512 CD GLU A 93 -5.740 -14.646 -35.915 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.531 -14.961 -35.822 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -6.646 -15.489 -36.056 1.00 0.00 O1- ATOM 0 H GLU A 93 -8.571 -12.681 -34.969 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.894 -14.362 -33.469 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.410 -11.552 -34.537 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.163 -12.679 -34.040 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.086 -13.048 -36.357 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.391 -12.615 -36.477 1.00 0.00 H new ATOM 1521 N LEU A 94 -7.842 -11.589 -32.003 1.00 0.00 N ATOM 1522 CA LEU A 94 -7.889 -10.896 -30.732 1.00 0.00 C ATOM 1523 C LEU A 94 -8.436 -11.803 -29.640 1.00 0.00 C ATOM 1524 O LEU A 94 -7.887 -11.857 -28.538 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.740 -9.626 -30.835 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.107 -8.460 -31.593 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -9.119 -7.348 -31.802 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.900 -7.937 -30.836 1.00 0.00 C ATOM 0 H LEU A 94 -8.421 -11.173 -32.732 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.870 -10.612 -30.470 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.682 -9.881 -31.320 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.981 -9.291 -29.826 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.781 -8.818 -32.570 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.650 -6.526 -32.343 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.963 -7.728 -32.378 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.472 -6.991 -30.835 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.457 -7.106 -31.386 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.210 -7.594 -29.849 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.164 -8.734 -30.729 1.00 0.00 H new ATOM 1540 N GLU A 95 -9.519 -12.513 -29.945 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.131 -13.407 -28.974 1.00 0.00 C ATOM 1542 C GLU A 95 -9.199 -14.526 -28.535 1.00 0.00 C ATOM 1543 O GLU A 95 -9.054 -14.767 -27.343 1.00 0.00 O ATOM 1544 CB GLU A 95 -11.429 -14.009 -29.505 1.00 0.00 C ATOM 1545 CG GLU A 95 -12.592 -13.041 -29.545 1.00 0.00 C ATOM 1546 CD GLU A 95 -13.912 -13.752 -29.720 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -14.479 -13.708 -30.831 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -14.389 -14.369 -28.746 1.00 0.00 O1- ATOM 0 H GLU A 95 -9.986 -12.485 -30.851 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.350 -12.789 -28.103 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.254 -14.391 -30.511 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.702 -14.862 -28.883 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.612 -12.460 -28.623 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.449 -12.335 -30.363 1.00 0.00 H new ATOM 1555 N GLN A 96 -8.527 -15.179 -29.482 1.00 0.00 N ATOM 1556 CA GLN A 96 -7.682 -16.321 -29.134 1.00 0.00 C ATOM 1557 C GLN A 96 -6.469 -15.890 -28.320 1.00 0.00 C ATOM 1558 O GLN A 96 -6.034 -16.603 -27.412 1.00 0.00 O ATOM 1559 CB GLN A 96 -7.256 -17.110 -30.381 1.00 0.00 C ATOM 1560 CG GLN A 96 -6.497 -16.296 -31.413 1.00 0.00 C ATOM 1561 CD GLN A 96 -6.044 -17.131 -32.592 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -6.682 -18.121 -32.949 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -4.946 -16.742 -33.202 1.00 0.00 N ATOM 0 H GLN A 96 -8.549 -14.945 -30.474 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.281 -16.985 -28.511 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.634 -17.949 -30.069 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.145 -17.530 -30.851 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.132 -15.485 -31.769 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.628 -15.837 -30.942 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.446 -15.915 -32.875 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.594 -17.267 -34.003 1.00 0.00 H new ATOM 1572 N ALA A 97 -5.935 -14.719 -28.635 1.00 0.00 N ATOM 1573 CA ALA A 97 -4.801 -14.191 -27.906 1.00 0.00 C ATOM 1574 C ALA A 97 -5.220 -13.818 -26.489 1.00 0.00 C ATOM 1575 O ALA A 97 -4.529 -14.138 -25.524 1.00 0.00 O ATOM 1576 CB ALA A 97 -4.215 -12.990 -28.632 1.00 0.00 C ATOM 0 H ALA A 97 -6.271 -14.121 -29.390 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.030 -14.959 -27.847 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.364 -12.605 -28.071 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.888 -13.291 -29.627 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.973 -12.212 -28.719 1.00 0.00 H new ATOM 1582 N LEU A 98 -6.382 -13.182 -26.377 1.00 0.00 N ATOM 1583 CA LEU A 98 -6.925 -12.761 -25.087 1.00 0.00 C ATOM 1584 C LEU A 98 -7.162 -13.972 -24.190 1.00 0.00 C ATOM 1585 O LEU A 98 -6.813 -13.963 -23.002 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.240 -11.972 -25.316 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.018 -11.506 -24.067 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.794 -10.237 -24.380 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -9.982 -12.589 -23.591 1.00 0.00 C ATOM 0 H LEU A 98 -6.973 -12.944 -27.174 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.208 -12.111 -24.585 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.004 -11.091 -25.913 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.906 -12.594 -25.914 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.298 -11.307 -23.273 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.340 -9.916 -23.493 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.101 -9.452 -24.683 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.499 -10.431 -25.189 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.518 -12.237 -22.710 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.695 -12.815 -24.384 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.422 -13.489 -23.339 1.00 0.00 H new ATOM 1601 N GLN A 99 -7.748 -15.009 -24.766 1.00 0.00 N ATOM 1602 CA GLN A 99 -8.031 -16.235 -24.040 1.00 0.00 C ATOM 1603 C GLN A 99 -6.757 -16.886 -23.498 1.00 0.00 C ATOM 1604 O GLN A 99 -6.753 -17.388 -22.374 1.00 0.00 O ATOM 1605 CB GLN A 99 -8.796 -17.216 -24.930 1.00 0.00 C ATOM 1606 CG GLN A 99 -10.166 -16.706 -25.362 1.00 0.00 C ATOM 1607 CD GLN A 99 -10.798 -17.557 -26.445 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -10.105 -18.181 -27.247 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -12.114 -17.572 -26.491 1.00 0.00 N ATOM 0 H GLN A 99 -8.039 -15.025 -25.743 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.652 -15.973 -23.184 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.200 -17.429 -25.818 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.920 -18.158 -24.396 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.827 -16.679 -24.496 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.070 -15.682 -25.722 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.654 -17.041 -25.808 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.593 -18.114 -27.210 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.668 -16.869 -24.274 1.00 0.00 N ATOM 1619 CA LYS A 100 -4.422 -17.471 -23.810 1.00 0.00 C ATOM 1620 C LYS A 100 -3.789 -16.640 -22.698 1.00 0.00 C ATOM 1621 O LYS A 100 -3.275 -17.189 -21.721 1.00 0.00 O ATOM 1622 CB LYS A 100 -3.413 -17.652 -24.956 1.00 0.00 C ATOM 1623 CG LYS A 100 -2.255 -18.565 -24.585 1.00 0.00 C ATOM 1624 CD LYS A 100 -1.249 -18.712 -25.713 1.00 0.00 C ATOM 1625 CE LYS A 100 -0.239 -19.809 -25.395 1.00 0.00 C ATOM 1626 NZ LYS A 100 0.791 -19.953 -26.449 1.00 0.00 N1+ ATOM 0 H LYS A 100 -5.626 -16.454 -25.205 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.677 -18.456 -23.418 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.928 -18.061 -25.825 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.022 -16.677 -25.247 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.752 -18.169 -23.703 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.642 -19.548 -24.317 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.769 -18.947 -26.642 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.729 -17.767 -25.869 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.247 -19.587 -24.445 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.763 -20.757 -25.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.102 -20.944 -26.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.391 -19.671 -27.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.605 -19.345 -26.225 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.842 -15.315 -22.842 1.00 0.00 N ATOM 1641 CA ILE A 101 -3.241 -14.413 -21.858 1.00 0.00 C ATOM 1642 C ILE A 101 -3.861 -14.616 -20.487 1.00 0.00 C ATOM 1643 O ILE A 101 -3.147 -14.754 -19.493 1.00 0.00 O ATOM 1644 CB ILE A 101 -3.417 -12.930 -22.270 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.722 -12.664 -23.597 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -2.866 -12.002 -21.187 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.034 -11.310 -24.186 1.00 0.00 C ATOM 0 H ILE A 101 -4.293 -14.844 -23.627 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.178 -14.650 -21.818 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.482 -12.729 -22.387 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.645 -12.749 -23.456 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.012 -13.436 -24.310 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.999 -10.965 -21.495 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.401 -12.175 -20.253 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.805 -12.204 -21.040 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.503 -11.193 -25.131 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.107 -11.227 -24.360 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.718 -10.530 -23.493 1.00 0.00 H new ATOM 1659 N ARG A 102 -5.186 -14.655 -20.434 1.00 0.00 N ATOM 1660 CA ARG A 102 -5.881 -14.872 -19.175 1.00 0.00 C ATOM 1661 C ARG A 102 -5.487 -16.183 -18.535 1.00 0.00 C ATOM 1662 O ARG A 102 -5.210 -16.235 -17.342 1.00 0.00 O ATOM 1663 CB ARG A 102 -7.388 -14.842 -19.367 1.00 0.00 C ATOM 1664 CG ARG A 102 -7.961 -13.462 -19.588 1.00 0.00 C ATOM 1665 CD ARG A 102 -9.431 -13.441 -19.230 1.00 0.00 C ATOM 1666 NE ARG A 102 -9.642 -13.877 -17.845 1.00 0.00 N ATOM 1667 CZ ARG A 102 -10.789 -13.793 -17.189 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -11.881 -13.337 -17.797 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -10.850 -14.191 -15.927 1.00 0.00 N ATOM 0 H ARG A 102 -5.796 -14.540 -21.243 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.586 -14.058 -18.513 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.646 -15.470 -20.220 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.863 -15.283 -18.491 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.421 -12.735 -18.981 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.829 -13.168 -20.629 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.827 -12.434 -19.362 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.983 -14.092 -19.908 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.844 -14.275 -17.350 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.838 -13.049 -18.775 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.761 -13.275 -17.285 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.017 -14.559 -15.467 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.730 -14.129 -15.415 1.00 0.00 H new ATOM 1683 N GLU A 103 -5.434 -17.236 -19.326 1.00 0.00 N ATOM 1684 CA GLU A 103 -5.105 -18.538 -18.797 1.00 0.00 C ATOM 1685 C GLU A 103 -3.695 -18.572 -18.236 1.00 0.00 C ATOM 1686 O GLU A 103 -3.476 -19.102 -17.156 1.00 0.00 O ATOM 1687 CB GLU A 103 -5.320 -19.629 -19.838 1.00 0.00 C ATOM 1688 CG GLU A 103 -6.787 -19.861 -20.151 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.013 -21.003 -21.107 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -7.439 -20.745 -22.249 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.772 -22.168 -20.722 1.00 0.00 O1- ATOM 0 H GLU A 103 -5.614 -17.213 -20.330 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.786 -18.737 -17.969 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.796 -19.359 -20.755 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.878 -20.559 -19.480 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.323 -20.060 -19.223 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.210 -18.951 -20.575 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.737 -18.014 -18.961 1.00 0.00 N ATOM 1699 CA LEU A 104 -1.363 -17.954 -18.477 1.00 0.00 C ATOM 1700 C LEU A 104 -1.240 -17.085 -17.217 1.00 0.00 C ATOM 1701 O LEU A 104 -0.578 -17.469 -16.254 1.00 0.00 O ATOM 1702 CB LEU A 104 -0.452 -17.401 -19.575 1.00 0.00 C ATOM 1703 CG LEU A 104 -0.349 -18.245 -20.848 1.00 0.00 C ATOM 1704 CD1 LEU A 104 0.500 -17.537 -21.890 1.00 0.00 C ATOM 1705 CD2 LEU A 104 0.223 -19.616 -20.536 1.00 0.00 C ATOM 0 H LEU A 104 -2.882 -17.598 -19.881 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.058 -18.967 -18.215 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.808 -16.408 -19.849 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.549 -17.278 -19.162 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.352 -18.377 -21.254 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.562 -18.152 -22.788 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.046 -16.577 -22.138 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.502 -17.373 -21.493 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.288 -20.201 -21.454 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.218 -19.506 -20.105 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.426 -20.128 -19.825 1.00 0.00 H new ATOM 1717 N ALA A 105 -1.906 -15.936 -17.219 1.00 0.00 N ATOM 1718 CA ALA A 105 -1.823 -14.992 -16.101 1.00 0.00 C ATOM 1719 C ALA A 105 -2.515 -15.524 -14.849 1.00 0.00 C ATOM 1720 O ALA A 105 -2.093 -15.240 -13.724 1.00 0.00 O ATOM 1721 CB ALA A 105 -2.414 -13.649 -16.502 1.00 0.00 C ATOM 0 H ALA A 105 -2.511 -15.632 -17.981 1.00 0.00 H new ATOM 0 HA ALA A 105 -0.768 -14.863 -15.859 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -2.346 -12.957 -15.663 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.860 -13.246 -17.350 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.460 -13.780 -16.781 1.00 0.00 H new ATOM 1727 N GLU A 106 -3.565 -16.301 -15.042 1.00 0.00 N ATOM 1728 CA GLU A 106 -4.321 -16.855 -13.927 1.00 0.00 C ATOM 1729 C GLU A 106 -3.880 -18.289 -13.646 1.00 0.00 C ATOM 1730 O GLU A 106 -4.419 -18.964 -12.767 1.00 0.00 O ATOM 1731 CB GLU A 106 -5.822 -16.782 -14.223 1.00 0.00 C ATOM 1732 CG GLU A 106 -6.319 -15.355 -14.429 1.00 0.00 C ATOM 1733 CD GLU A 106 -7.793 -15.277 -14.760 1.00 0.00 C ATOM 1734 OE1 GLU A 106 -8.138 -15.218 -15.955 1.00 0.00 O ATOM 1735 OE2 GLU A 106 -8.615 -15.254 -13.817 1.00 0.00 O1- ATOM 0 H GLU A 106 -3.917 -16.565 -15.962 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.122 -16.264 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.040 -17.369 -15.115 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.372 -17.237 -13.399 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.125 -14.776 -13.526 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.748 -14.891 -15.233 1.00 0.00 H new ATOM 1742 N LYS A 107 -2.889 -18.732 -14.412 1.00 0.00 N ATOM 1743 CA LYS A 107 -2.298 -20.064 -14.293 1.00 0.00 C ATOM 1744 C LYS A 107 -3.353 -21.166 -14.421 1.00 0.00 C ATOM 1745 O LYS A 107 -3.666 -21.867 -13.451 1.00 0.00 O ATOM 1746 CB LYS A 107 -1.515 -20.215 -12.987 1.00 0.00 C ATOM 1747 CG LYS A 107 -0.585 -21.422 -12.969 1.00 0.00 C ATOM 1748 CD LYS A 107 0.031 -21.634 -11.600 1.00 0.00 C ATOM 1749 CE LYS A 107 -1.004 -22.112 -10.594 1.00 0.00 C ATOM 1750 NZ LYS A 107 -0.420 -22.302 -9.250 1.00 0.00 N1+ ATOM 0 H LYS A 107 -2.465 -18.166 -15.147 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.598 -20.175 -15.121 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.928 -19.312 -12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.219 -20.297 -12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.140 -22.314 -13.260 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.206 -21.283 -13.706 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.836 -22.365 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.476 -20.702 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.817 -21.388 -10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.437 -23.051 -10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -1.158 -22.628 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.339 -23.012 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.029 -21.400 -8.911 1.00 0.00 H new ATOM 1764 N LYS A 108 -3.921 -21.267 -15.619 1.00 0.00 N ATOM 1765 CA LYS A 108 -4.916 -22.291 -15.975 1.00 0.00 C ATOM 1766 C LYS A 108 -6.241 -22.130 -15.190 1.00 0.00 C ATOM 1767 O LYS A 108 -7.165 -22.927 -15.360 1.00 0.00 O ATOM 1768 CB LYS A 108 -4.324 -23.702 -15.773 1.00 0.00 C ATOM 1769 CG LYS A 108 -5.108 -24.820 -16.446 1.00 0.00 C ATOM 1770 CD LYS A 108 -5.102 -24.671 -17.962 1.00 0.00 C ATOM 1771 CE LYS A 108 -5.903 -25.776 -18.632 1.00 0.00 C ATOM 1772 NZ LYS A 108 -5.351 -27.124 -18.340 1.00 0.00 N1+ ATOM 0 H LYS A 108 -3.704 -20.632 -16.387 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.160 -22.154 -17.028 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.303 -23.711 -16.154 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.267 -23.908 -14.704 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.678 -25.783 -16.172 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.136 -24.815 -16.083 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.518 -23.701 -18.235 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.075 -24.692 -18.327 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.938 -25.728 -18.294 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.911 -25.614 -19.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.793 -27.824 -18.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.323 -27.119 -18.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.550 -27.374 -17.350 1.00 0.00 H new ATOM 1786 N ASN A 109 -6.318 -21.098 -14.346 1.00 0.00 N ATOM 1787 CA ASN A 109 -7.517 -20.816 -13.540 1.00 0.00 C ATOM 1788 C ASN A 109 -7.746 -21.912 -12.514 1.00 0.00 C ATOM 1789 O ASN A 109 -7.072 -21.891 -11.461 1.00 0.00 O ATOM 1790 CB ASN A 109 -8.776 -20.635 -14.415 1.00 0.00 C ATOM 1791 CG ASN A 109 -8.805 -19.310 -15.146 1.00 0.00 C ATOM 1792 OD1 ASN A 109 -9.309 -18.316 -14.625 1.00 0.00 O ATOM 1793 ND2 ASN A 109 -8.282 -19.286 -16.358 1.00 0.00 N ATOM 1794 OXT ASN A 109 -8.592 -22.794 -12.756 1.00 0.00 O ATOM 0 H ASN A 109 -5.557 -20.435 -14.200 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.338 -19.874 -13.021 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -8.826 -21.446 -15.142 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -9.663 -20.716 -13.786 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.286 -18.421 -16.898 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.874 -20.133 -16.754 1.00 0.00 H new TER 1801 ASN A 109 HETATM 1802 NA1 7BU A 201 -0.530 -7.911 -19.407 1.00 0.00 N HETATM 1803 NB2 7BU A 201 -2.743 -7.764 -21.221 1.00 0.00 N HETATM 1804 ND4 7BU A 201 -2.154 -9.279 -17.461 1.00 0.00 N HETATM 1805 CHA 7BU A 201 0.311 -9.254 -17.491 1.00 0.00 C HETATM 1806 CHB 7BU A 201 -0.684 -6.411 -21.377 1.00 0.00 C HETATM 1807 CHC 7BU A 201 -4.847 -8.941 -21.723 1.00 0.00 C HETATM 1808 CHD 7BU A 201 -4.515 -9.738 -16.889 1.00 0.00 C HETATM 1809 C1A 7BU A 201 0.485 -8.385 -18.613 1.00 0.00 C HETATM 1810 C1B 7BU A 201 -1.938 -6.864 -21.877 1.00 0.00 C HETATM 1811 C1C 7BU A 201 -5.155 -9.368 -20.398 1.00 0.00 C HETATM 1812 C1D 7BU A 201 -3.124 -9.716 -16.590 1.00 0.00 C HETATM 1813 C1FA 7BU A 201 1.615 -9.744 -16.838 1.00 0.00 C HETATM 1814 C1FB 7BU A 201 0.063 -5.305 -22.140 1.00 0.00 C HETATM 1815 C1FC 7BU A 201 -5.889 -9.330 -22.777 1.00 0.00 C HETATM 1816 C1FD 7BU A 201 -5.487 -10.158 -15.775 1.00 0.00 C HETATM 1817 C2A 7BU A 201 1.745 -7.779 -19.040 1.00 0.00 C HETATM 1818 C2B 7BU A 201 -2.487 -6.604 -23.200 1.00 0.00 C HETATM 1819 C2C 7BU A 201 -6.422 -9.958 -19.968 1.00 0.00 C HETATM 1820 C2D 7BU A 201 -2.488 -10.315 -15.428 1.00 0.00 C HETATM 1821 C3A 7BU A 201 1.461 -6.948 -20.072 1.00 0.00 C HETATM 1822 C3B 7BU A 201 -3.607 -7.356 -23.319 1.00 0.00 C HETATM 1823 C3C 7BU A 201 -6.355 -10.118 -18.627 1.00 0.00 C HETATM 1824 C3D 7BU A 201 -1.152 -10.241 -15.622 1.00 0.00 C HETATM 1825 C4A 7BU A 201 0.028 -7.036 -20.309 1.00 0.00 C HETATM 1826 C4B 7BU A 201 -3.775 -8.086 -22.073 1.00 0.00 C HETATM 1827 C4C 7BU A 201 -5.050 -9.632 -18.203 1.00 0.00 C HETATM 1828 C4D 7BU A 201 -0.933 -9.589 -16.904 1.00 0.00 C HETATM 1829 NC3 7BU A 201 -4.351 -9.188 -19.302 1.00 0.00 N HETATM 1830 F21A 7BU A 201 2.118 -8.831 -15.981 1.00 0.00 F HETATM 1831 F21B 7BU A 201 -0.793 -4.408 -22.694 1.00 0.00 F HETATM 1832 F21C 7BU A 201 -5.470 -9.257 -24.051 1.00 0.00 F HETATM 1833 F21D 7BU A 201 -6.701 -9.565 -15.876 1.00 0.00 F HETATM 1834 F22A 7BU A 201 2.589 -9.956 -17.749 1.00 0.00 F HETATM 1835 F22B 7BU A 201 0.815 -5.765 -23.166 1.00 0.00 F HETATM 1836 F22C 7BU A 201 -6.309 -10.609 -22.620 1.00 0.00 F HETATM 1837 F22D 7BU A 201 -5.024 -9.815 -14.548 1.00 0.00 F HETATM 1838 F23A 7BU A 201 1.498 -10.895 -16.140 1.00 0.00 F HETATM 1839 F23B 7BU A 201 0.887 -4.598 -21.334 1.00 0.00 F HETATM 1840 F23C 7BU A 201 -6.987 -8.544 -22.694 1.00 0.00 F HETATM 1841 F23D 7BU A 201 -5.701 -11.497 -15.760 1.00 0.00 F HETATM 1842 ZN 7BU A 201 -2.568 -8.153 -19.180 1.00 0.00 ZN