USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 68:sc= -0.19 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -114:sc= -0.419 (180deg=-3.52!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.105 K(o=-0.1,f=-0.83) USER MOD Single : A 52 ASN : amide:sc= -0.0463 K(o=-0.046,f=-1.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -85:sc= -0.0217 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : A 86 MET CE :methyl -158:sc= -0.695 (180deg=-2.08) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.946 6.781 -11.103 1.00 0.00 N ATOM 56 CA ASP A 5 -14.835 7.665 -9.911 1.00 0.00 C ATOM 57 C ASP A 5 -13.622 7.202 -9.059 1.00 0.00 C ATOM 58 O ASP A 5 -12.965 8.017 -8.401 1.00 0.00 O ATOM 59 CB ASP A 5 -16.161 7.700 -9.097 1.00 0.00 C ATOM 60 CG ASP A 5 -17.072 8.915 -9.341 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.577 9.952 -9.836 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.282 8.838 -9.031 1.00 0.00 O ATOM 0 HA ASP A 5 -14.663 8.693 -10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.727 6.796 -9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.914 7.664 -8.036 1.00 0.00 H new ATOM 67 N GLN A 6 -13.363 5.881 -9.062 1.00 0.00 N ATOM 68 CA GLN A 6 -12.244 5.268 -8.300 1.00 0.00 C ATOM 69 C GLN A 6 -10.952 6.079 -8.594 1.00 0.00 C ATOM 70 O GLN A 6 -10.220 6.459 -7.673 1.00 0.00 O ATOM 71 CB GLN A 6 -12.100 3.764 -8.668 1.00 0.00 C ATOM 72 CG GLN A 6 -10.808 3.366 -9.422 1.00 0.00 C ATOM 73 CD GLN A 6 -10.617 1.850 -9.606 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.304 1.039 -8.985 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.686 1.435 -10.452 1.00 0.00 N ATOM 0 H GLN A 6 -13.917 5.206 -9.588 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.440 5.305 -7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.154 3.180 -7.749 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.956 3.477 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.815 3.840 -10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.950 3.764 -8.881 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.121 2.114 -10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.534 0.436 -10.593 1.00 0.00 H new ATOM 84 N GLN A 7 -10.679 6.310 -9.891 1.00 0.00 N ATOM 85 CA GLN A 7 -9.431 6.972 -10.358 1.00 0.00 C ATOM 86 C GLN A 7 -9.568 8.505 -10.154 1.00 0.00 C ATOM 87 O GLN A 7 -8.564 9.205 -9.959 1.00 0.00 O ATOM 88 CB GLN A 7 -9.150 6.663 -11.856 1.00 0.00 C ATOM 89 CG GLN A 7 -10.354 6.796 -12.817 1.00 0.00 C ATOM 90 CD GLN A 7 -10.029 6.308 -14.239 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.706 7.098 -15.127 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.100 5.009 -14.487 1.00 0.00 N ATOM 0 H GLN A 7 -11.310 6.047 -10.648 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.594 6.586 -9.777 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.360 7.330 -12.201 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.763 5.647 -11.930 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.194 6.224 -12.423 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.669 7.839 -12.857 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.368 4.362 -13.745 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.886 4.655 -15.420 1.00 0.00 H new ATOM 101 N ALA A 8 -10.811 9.017 -10.206 1.00 0.00 N ATOM 102 CA ALA A 8 -11.101 10.466 -10.031 1.00 0.00 C ATOM 103 C ALA A 8 -10.579 10.955 -8.652 1.00 0.00 C ATOM 104 O ALA A 8 -10.135 12.101 -8.517 1.00 0.00 O ATOM 105 CB ALA A 8 -12.617 10.699 -10.187 1.00 0.00 C ATOM 0 H ALA A 8 -11.642 8.449 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.584 11.046 -10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.837 11.759 -10.060 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.934 10.379 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.153 10.124 -9.432 1.00 0.00 H new ATOM 111 N GLU A 9 -10.657 10.074 -7.638 1.00 0.00 N ATOM 112 CA GLU A 9 -10.290 10.407 -6.235 1.00 0.00 C ATOM 113 C GLU A 9 -8.754 10.612 -6.143 1.00 0.00 C ATOM 114 O GLU A 9 -8.281 11.651 -5.667 1.00 0.00 O ATOM 115 CB GLU A 9 -10.787 9.322 -5.236 1.00 0.00 C ATOM 116 CG GLU A 9 -12.045 8.525 -5.653 1.00 0.00 C ATOM 117 CD GLU A 9 -12.800 7.928 -4.463 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.448 6.813 -4.019 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.753 8.569 -3.967 1.00 0.00 O ATOM 0 H GLU A 9 -10.974 9.112 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.788 11.334 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.975 8.615 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.991 9.805 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.715 9.181 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.751 7.722 -6.329 1.00 0.00 H new ATOM 126 N ALA A 10 -7.988 9.594 -6.578 1.00 0.00 N ATOM 127 CA ALA A 10 -6.505 9.583 -6.460 1.00 0.00 C ATOM 128 C ALA A 10 -5.880 10.719 -7.316 1.00 0.00 C ATOM 129 O ALA A 10 -4.782 11.203 -7.011 1.00 0.00 O ATOM 130 CB ALA A 10 -5.980 8.196 -6.880 1.00 0.00 C ATOM 0 H ALA A 10 -8.370 8.758 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.214 9.768 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.893 8.178 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.407 7.433 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.268 7.995 -7.912 1.00 0.00 H new ATOM 136 N ARG A 11 -6.577 11.109 -8.399 1.00 0.00 N ATOM 137 CA ARG A 11 -6.073 12.101 -9.386 1.00 0.00 C ATOM 138 C ARG A 11 -6.189 13.514 -8.752 1.00 0.00 C ATOM 139 O ARG A 11 -5.271 14.335 -8.867 1.00 0.00 O ATOM 140 CB ARG A 11 -6.876 12.009 -10.714 1.00 0.00 C ATOM 141 CG ARG A 11 -6.065 12.320 -11.994 1.00 0.00 C ATOM 142 CD ARG A 11 -6.746 13.375 -12.887 1.00 0.00 C ATOM 143 NE ARG A 11 -6.019 13.566 -14.167 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.982 14.720 -14.865 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.020 15.894 -14.251 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.877 14.715 -16.187 1.00 0.00 N ATOM 0 H ARG A 11 -7.506 10.750 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.031 11.895 -9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.291 11.005 -10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.718 12.699 -10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.073 12.673 -11.714 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.927 11.401 -12.564 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.772 13.069 -13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.798 14.324 -12.353 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.511 12.767 -14.546 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.078 15.936 -13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.991 16.756 -14.796 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.823 13.830 -16.691 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.850 15.596 -16.700 1.00 0.00 H new ATOM 160 N ALA A 12 -7.343 13.786 -8.111 1.00 0.00 N ATOM 161 CA ALA A 12 -7.651 15.122 -7.533 1.00 0.00 C ATOM 162 C ALA A 12 -6.709 15.408 -6.332 1.00 0.00 C ATOM 163 O ALA A 12 -6.384 16.567 -6.046 1.00 0.00 O ATOM 164 CB ALA A 12 -9.136 15.173 -7.122 1.00 0.00 C ATOM 0 H ALA A 12 -8.084 13.099 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.480 15.900 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.363 16.151 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.762 15.003 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.335 14.401 -6.379 1.00 0.00 H new ATOM 170 N PHE A 13 -6.281 14.337 -5.638 1.00 0.00 N ATOM 171 CA PHE A 13 -5.377 14.439 -4.461 1.00 0.00 C ATOM 172 C PHE A 13 -3.929 14.728 -4.941 1.00 0.00 C ATOM 173 O PHE A 13 -3.255 15.623 -4.417 1.00 0.00 O ATOM 174 CB PHE A 13 -5.496 13.137 -3.617 1.00 0.00 C ATOM 175 CG PHE A 13 -4.687 13.131 -2.305 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.671 14.072 -2.097 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.948 12.176 -1.316 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.923 14.051 -0.922 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.197 12.156 -0.142 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.184 13.092 0.052 1.00 0.00 C ATOM 0 H PHE A 13 -6.546 13.380 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.664 15.270 -3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.547 12.972 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.172 12.295 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.466 14.818 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.735 11.451 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.140 14.779 -0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.400 11.415 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.600 13.073 0.960 1.00 0.00 H new ATOM 190 N LEU A 14 -3.471 13.954 -5.943 1.00 0.00 N ATOM 191 CA LEU A 14 -2.076 14.022 -6.455 1.00 0.00 C ATOM 192 C LEU A 14 -2.058 14.991 -7.669 1.00 0.00 C ATOM 193 O LEU A 14 -2.596 14.675 -8.737 1.00 0.00 O ATOM 194 CB LEU A 14 -1.553 12.605 -6.838 1.00 0.00 C ATOM 195 CG LEU A 14 -1.871 11.433 -5.863 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.070 10.109 -6.628 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.789 11.255 -4.778 1.00 0.00 C ATOM 0 H LEU A 14 -4.049 13.265 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.407 14.397 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.961 12.349 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.470 12.665 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.802 11.698 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.291 9.310 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.900 10.214 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.161 9.866 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.061 10.425 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.170 11.046 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.711 12.169 -4.189 1.00 0.00 H new ATOM 209 N SER A 15 -1.406 16.155 -7.493 1.00 0.00 N ATOM 210 CA SER A 15 -1.318 17.204 -8.543 1.00 0.00 C ATOM 211 C SER A 15 -0.464 16.688 -9.733 1.00 0.00 C ATOM 212 O SER A 15 -0.041 15.526 -9.750 1.00 0.00 O ATOM 213 CB SER A 15 -0.746 18.502 -7.927 1.00 0.00 C ATOM 214 OG SER A 15 -1.424 19.654 -8.418 1.00 0.00 O ATOM 0 H SER A 15 -0.926 16.400 -6.627 1.00 0.00 H new ATOM 0 HA SER A 15 -2.310 17.433 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.835 18.461 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.317 18.578 -8.157 1.00 0.00 H new ATOM 0 HG SER A 15 -1.041 20.458 -8.009 1.00 0.00 H new ATOM 220 N GLU A 16 -0.242 17.563 -10.731 1.00 0.00 N ATOM 221 CA GLU A 16 0.534 17.223 -11.954 1.00 0.00 C ATOM 222 C GLU A 16 2.046 17.210 -11.596 1.00 0.00 C ATOM 223 O GLU A 16 2.805 16.384 -12.118 1.00 0.00 O ATOM 224 CB GLU A 16 0.175 18.201 -13.109 1.00 0.00 C ATOM 225 CG GLU A 16 0.578 17.761 -14.537 1.00 0.00 C ATOM 226 CD GLU A 16 -0.172 16.528 -15.049 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.296 16.260 -14.569 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.360 15.819 -15.932 1.00 0.00 O ATOM 0 H GLU A 16 -0.590 18.522 -10.720 1.00 0.00 H new ATOM 0 HA GLU A 16 0.275 16.228 -12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.902 18.366 -13.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.647 19.161 -12.902 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.403 18.590 -15.223 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.648 17.554 -14.553 1.00 0.00 H new ATOM 235 N GLU A 17 2.454 18.136 -10.703 1.00 0.00 N ATOM 236 CA GLU A 17 3.884 18.301 -10.318 1.00 0.00 C ATOM 237 C GLU A 17 4.309 17.054 -9.496 1.00 0.00 C ATOM 238 O GLU A 17 5.454 16.598 -9.586 1.00 0.00 O ATOM 239 CB GLU A 17 4.117 19.645 -9.569 1.00 0.00 C ATOM 240 CG GLU A 17 3.281 20.857 -10.044 1.00 0.00 C ATOM 241 CD GLU A 17 3.752 21.464 -11.369 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.963 21.384 -11.675 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.914 22.025 -12.110 1.00 0.00 O ATOM 0 H GLU A 17 1.820 18.782 -10.233 1.00 0.00 H new ATOM 0 HA GLU A 17 4.516 18.360 -11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.913 19.485 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.172 19.904 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.241 20.548 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.309 21.628 -9.274 1.00 0.00 H new ATOM 250 N MET A 18 3.367 16.512 -8.701 1.00 0.00 N ATOM 251 CA MET A 18 3.624 15.348 -7.813 1.00 0.00 C ATOM 252 C MET A 18 3.657 14.072 -8.699 1.00 0.00 C ATOM 253 O MET A 18 4.399 13.125 -8.410 1.00 0.00 O ATOM 254 CB MET A 18 2.564 15.252 -6.679 1.00 0.00 C ATOM 255 CG MET A 18 2.170 16.584 -6.014 1.00 0.00 C ATOM 256 SD MET A 18 1.588 16.289 -4.330 1.00 0.00 S ATOM 257 CE MET A 18 2.063 17.828 -3.517 1.00 0.00 C ATOM 0 H MET A 18 2.410 16.862 -8.652 1.00 0.00 H new ATOM 0 HA MET A 18 4.583 15.463 -7.308 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.664 14.791 -7.087 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.944 14.581 -5.908 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.026 17.259 -5.998 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.389 17.073 -6.596 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.767 17.792 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.143 17.957 -3.585 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.566 18.666 -4.006 1.00 0.00 H new ATOM 267 N ILE A 19 2.825 14.057 -9.757 1.00 0.00 N ATOM 268 CA ILE A 19 2.713 12.904 -10.691 1.00 0.00 C ATOM 269 C ILE A 19 4.119 12.717 -11.325 1.00 0.00 C ATOM 270 O ILE A 19 4.531 11.587 -11.614 1.00 0.00 O ATOM 271 CB ILE A 19 1.540 13.092 -11.725 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.143 12.735 -11.124 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.771 12.298 -13.039 1.00 0.00 C ATOM 274 CD1 ILE A 19 0.066 12.690 -9.589 1.00 0.00 C ATOM 0 H ILE A 19 2.211 14.836 -9.994 1.00 0.00 H new ATOM 0 HA ILE A 19 2.434 11.987 -10.173 1.00 0.00 H new ATOM 0 HB ILE A 19 1.541 14.155 -11.966 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.583 13.464 -11.484 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.161 11.763 -11.513 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.933 12.463 -13.716 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.692 12.638 -13.512 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.850 11.235 -12.812 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.948 12.433 -9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.760 11.939 -9.212 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.331 13.666 -9.183 1.00 0.00 H new ATOM 286 N ALA A 20 4.828 13.835 -11.565 1.00 0.00 N ATOM 287 CA ALA A 20 6.168 13.824 -12.213 1.00 0.00 C ATOM 288 C ALA A 20 7.155 12.950 -11.393 1.00 0.00 C ATOM 289 O ALA A 20 8.011 12.262 -11.962 1.00 0.00 O ATOM 290 CB ALA A 20 6.668 15.275 -12.356 1.00 0.00 C ATOM 0 H ALA A 20 4.498 14.769 -11.320 1.00 0.00 H new ATOM 0 HA ALA A 20 6.100 13.383 -13.208 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.650 15.277 -12.830 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.968 15.842 -12.969 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.741 15.734 -11.370 1.00 0.00 H new ATOM 296 N GLU A 21 7.039 13.014 -10.054 1.00 0.00 N ATOM 297 CA GLU A 21 7.971 12.323 -9.124 1.00 0.00 C ATOM 298 C GLU A 21 7.850 10.792 -9.355 1.00 0.00 C ATOM 299 O GLU A 21 8.832 10.051 -9.232 1.00 0.00 O ATOM 300 CB GLU A 21 7.688 12.757 -7.657 1.00 0.00 C ATOM 301 CG GLU A 21 7.765 14.273 -7.357 1.00 0.00 C ATOM 302 CD GLU A 21 7.983 14.609 -5.879 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.153 14.714 -5.448 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.986 14.768 -5.141 1.00 0.00 O ATOM 0 H GLU A 21 6.304 13.541 -9.582 1.00 0.00 H new ATOM 0 HA GLU A 21 9.005 12.605 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.693 12.405 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.397 12.244 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.577 14.707 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.843 14.746 -7.694 1.00 0.00 H new ATOM 311 N PHE A 22 6.622 10.334 -9.661 1.00 0.00 N ATOM 312 CA PHE A 22 6.304 8.892 -9.833 1.00 0.00 C ATOM 313 C PHE A 22 6.604 8.469 -11.297 1.00 0.00 C ATOM 314 O PHE A 22 6.781 7.272 -11.569 1.00 0.00 O ATOM 315 CB PHE A 22 4.822 8.612 -9.432 1.00 0.00 C ATOM 316 CG PHE A 22 4.440 9.052 -8.004 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.023 8.428 -6.894 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.528 10.095 -7.801 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.741 8.877 -5.606 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.249 10.543 -6.511 1.00 0.00 C ATOM 321 CZ PHE A 22 3.877 9.952 -5.418 1.00 0.00 C ATOM 0 H PHE A 22 5.818 10.947 -9.797 1.00 0.00 H new ATOM 0 HA PHE A 22 6.932 8.293 -9.174 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.167 9.120 -10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.630 7.544 -9.531 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.695 7.594 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.039 10.554 -8.647 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.193 8.391 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.546 11.348 -6.359 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.693 10.328 -4.422 1.00 0.00 H new ATOM 331 N LYS A 23 6.630 9.437 -12.230 1.00 0.00 N ATOM 332 CA LYS A 23 6.812 9.178 -13.684 1.00 0.00 C ATOM 333 C LYS A 23 8.066 8.279 -13.862 1.00 0.00 C ATOM 334 O LYS A 23 8.015 7.251 -14.548 1.00 0.00 O ATOM 335 CB LYS A 23 6.960 10.506 -14.483 1.00 0.00 C ATOM 336 CG LYS A 23 5.791 10.906 -15.415 1.00 0.00 C ATOM 337 CD LYS A 23 5.628 10.020 -16.668 1.00 0.00 C ATOM 338 CE LYS A 23 6.735 10.257 -17.711 1.00 0.00 C ATOM 339 NZ LYS A 23 7.264 8.985 -18.235 1.00 0.00 N ATOM 0 H LYS A 23 6.526 10.426 -12.004 1.00 0.00 H new ATOM 0 HA LYS A 23 5.931 8.672 -14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.114 11.315 -13.768 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.865 10.438 -15.087 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.863 10.876 -14.844 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.936 11.938 -15.734 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.634 8.972 -16.370 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.657 10.217 -17.123 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.340 10.854 -18.533 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.545 10.831 -17.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.008 9.180 -18.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.662 8.426 -17.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.496 8.449 -18.687 1.00 0.00 H new ATOM 353 N ALA A 24 9.194 8.700 -13.260 1.00 0.00 N ATOM 354 CA ALA A 24 10.505 8.016 -13.423 1.00 0.00 C ATOM 355 C ALA A 24 10.371 6.514 -13.047 1.00 0.00 C ATOM 356 O ALA A 24 10.713 5.626 -13.838 1.00 0.00 O ATOM 357 CB ALA A 24 11.559 8.733 -12.558 1.00 0.00 C ATOM 0 H ALA A 24 9.230 9.517 -12.650 1.00 0.00 H new ATOM 0 HA ALA A 24 10.828 8.063 -14.463 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.523 8.237 -12.673 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.646 9.772 -12.877 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.255 8.699 -11.512 1.00 0.00 H new ATOM 363 N ALA A 25 9.896 6.252 -11.816 1.00 0.00 N ATOM 364 CA ALA A 25 9.752 4.873 -11.275 1.00 0.00 C ATOM 365 C ALA A 25 8.818 4.021 -12.178 1.00 0.00 C ATOM 366 O ALA A 25 8.956 2.792 -12.237 1.00 0.00 O ATOM 367 CB ALA A 25 9.227 4.958 -9.828 1.00 0.00 C ATOM 0 H ALA A 25 9.601 6.980 -11.166 1.00 0.00 H new ATOM 0 HA ALA A 25 10.722 4.376 -11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.117 3.953 -9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.932 5.522 -9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.259 5.460 -9.821 1.00 0.00 H new ATOM 373 N PHE A 26 7.870 4.689 -12.868 1.00 0.00 N ATOM 374 CA PHE A 26 6.833 3.997 -13.683 1.00 0.00 C ATOM 375 C PHE A 26 7.554 3.232 -14.827 1.00 0.00 C ATOM 376 O PHE A 26 7.253 2.062 -15.092 1.00 0.00 O ATOM 377 CB PHE A 26 5.767 4.994 -14.229 1.00 0.00 C ATOM 378 CG PHE A 26 4.694 4.356 -15.144 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.061 3.762 -16.357 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.344 4.387 -14.776 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.092 3.204 -17.187 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.377 3.822 -15.606 1.00 0.00 C ATOM 383 CZ PHE A 26 2.752 3.235 -16.812 1.00 0.00 C ATOM 0 H PHE A 26 7.796 5.706 -12.881 1.00 0.00 H new ATOM 0 HA PHE A 26 6.283 3.291 -13.060 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.269 5.470 -13.385 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.277 5.782 -14.784 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.100 3.736 -16.651 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.050 4.850 -13.846 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.380 2.747 -18.122 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.337 3.839 -15.314 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.002 2.803 -17.457 1.00 0.00 H new ATOM 393 N ASP A 27 8.522 3.904 -15.478 1.00 0.00 N ATOM 394 CA ASP A 27 9.273 3.335 -16.628 1.00 0.00 C ATOM 395 C ASP A 27 10.098 2.116 -16.132 1.00 0.00 C ATOM 396 O ASP A 27 10.314 1.157 -16.883 1.00 0.00 O ATOM 397 CB ASP A 27 10.153 4.411 -17.328 1.00 0.00 C ATOM 398 CG ASP A 27 10.828 3.983 -18.642 1.00 0.00 C ATOM 399 OD1 ASP A 27 10.130 3.884 -19.676 1.00 0.00 O ATOM 400 OD2 ASP A 27 12.056 3.743 -18.643 1.00 0.00 O ATOM 0 H ASP A 27 8.809 4.851 -15.229 1.00 0.00 H new ATOM 0 HA ASP A 27 8.573 2.992 -17.390 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.532 5.284 -17.530 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.929 4.726 -16.631 1.00 0.00 H new ATOM 405 N MET A 28 10.576 2.185 -14.872 1.00 0.00 N ATOM 406 CA MET A 28 11.418 1.116 -14.269 1.00 0.00 C ATOM 407 C MET A 28 10.578 -0.189 -14.246 1.00 0.00 C ATOM 408 O MET A 28 11.047 -1.251 -14.671 1.00 0.00 O ATOM 409 CB MET A 28 11.932 1.507 -12.853 1.00 0.00 C ATOM 410 CG MET A 28 12.700 0.410 -12.093 1.00 0.00 C ATOM 411 SD MET A 28 12.346 0.517 -10.324 1.00 0.00 S ATOM 412 CE MET A 28 13.590 1.709 -9.787 1.00 0.00 C ATOM 0 H MET A 28 10.396 2.970 -14.246 1.00 0.00 H new ATOM 0 HA MET A 28 12.316 0.967 -14.869 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.581 2.378 -12.950 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.078 1.812 -12.248 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.415 -0.572 -12.470 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.771 0.519 -12.265 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.495 1.876 -8.714 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.585 1.321 -10.007 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.443 2.651 -10.315 1.00 0.00 H new ATOM 422 N PHE A 29 9.337 -0.091 -13.729 1.00 0.00 N ATOM 423 CA PHE A 29 8.449 -1.270 -13.535 1.00 0.00 C ATOM 424 C PHE A 29 8.103 -1.857 -14.931 1.00 0.00 C ATOM 425 O PHE A 29 7.932 -3.073 -15.079 1.00 0.00 O ATOM 426 CB PHE A 29 7.174 -0.881 -12.731 1.00 0.00 C ATOM 427 CG PHE A 29 7.355 -0.810 -11.202 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.792 -1.934 -10.490 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.073 0.372 -10.507 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.945 -1.875 -9.107 1.00 0.00 C ATOM 431 CE2 PHE A 29 7.226 0.428 -9.124 1.00 0.00 C ATOM 432 CZ PHE A 29 7.666 -0.693 -8.426 1.00 0.00 C ATOM 0 H PHE A 29 8.920 0.792 -13.435 1.00 0.00 H new ATOM 0 HA PHE A 29 8.960 -2.032 -12.947 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.824 0.089 -13.084 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.389 -1.604 -12.954 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.011 -2.851 -11.016 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.735 1.245 -11.046 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.280 -2.746 -8.563 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.003 1.342 -8.593 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.791 -0.646 -7.354 1.00 0.00 H new ATOM 442 N ASP A 30 7.981 -0.973 -15.938 1.00 0.00 N ATOM 443 CA ASP A 30 7.609 -1.366 -17.323 1.00 0.00 C ATOM 444 C ASP A 30 8.649 -2.395 -17.845 1.00 0.00 C ATOM 445 O ASP A 30 8.315 -3.559 -18.095 1.00 0.00 O ATOM 446 CB ASP A 30 7.472 -0.127 -18.255 1.00 0.00 C ATOM 447 CG ASP A 30 6.584 -0.311 -19.498 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.730 -1.225 -19.503 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.745 0.453 -20.475 1.00 0.00 O ATOM 0 H ASP A 30 8.135 0.029 -15.823 1.00 0.00 H new ATOM 0 HA ASP A 30 6.626 -1.836 -17.319 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.074 0.701 -17.669 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.469 0.166 -18.585 1.00 0.00 H new ATOM 454 N ALA A 31 9.908 -1.945 -18.002 1.00 0.00 N ATOM 455 CA ALA A 31 11.022 -2.802 -18.491 1.00 0.00 C ATOM 456 C ALA A 31 10.762 -3.253 -19.957 1.00 0.00 C ATOM 457 O ALA A 31 11.251 -4.303 -20.388 1.00 0.00 O ATOM 458 CB ALA A 31 11.178 -4.007 -17.544 1.00 0.00 C ATOM 0 H ALA A 31 10.188 -0.986 -17.797 1.00 0.00 H new ATOM 0 HA ALA A 31 11.953 -2.235 -18.492 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.992 -4.642 -17.894 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.401 -3.652 -16.538 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.251 -4.581 -17.530 1.00 0.00 H new ATOM 464 N ASP A 32 9.966 -2.456 -20.693 1.00 0.00 N ATOM 465 CA ASP A 32 9.624 -2.729 -22.114 1.00 0.00 C ATOM 466 C ASP A 32 9.846 -1.432 -22.938 1.00 0.00 C ATOM 467 O ASP A 32 10.891 -1.257 -23.577 1.00 0.00 O ATOM 468 CB ASP A 32 8.180 -3.292 -22.260 1.00 0.00 C ATOM 469 CG ASP A 32 7.427 -2.899 -23.542 1.00 0.00 C ATOM 470 OD1 ASP A 32 8.031 -2.947 -24.637 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.233 -2.535 -23.457 1.00 0.00 O ATOM 0 H ASP A 32 9.539 -1.605 -20.327 1.00 0.00 H new ATOM 0 HA ASP A 32 10.280 -3.506 -22.506 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.229 -4.380 -22.211 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.594 -2.960 -21.403 1.00 0.00 H new ATOM 476 N GLY A 33 8.847 -0.528 -22.915 1.00 0.00 N ATOM 477 CA GLY A 33 8.912 0.767 -23.644 1.00 0.00 C ATOM 478 C GLY A 33 8.555 1.961 -22.719 1.00 0.00 C ATOM 479 O GLY A 33 9.438 2.686 -22.245 1.00 0.00 O ATOM 0 H GLY A 33 7.979 -0.666 -22.398 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.914 0.907 -24.050 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.226 0.744 -24.490 1.00 0.00 H new ATOM 483 N GLY A 34 7.243 2.173 -22.495 1.00 0.00 N ATOM 484 CA GLY A 34 6.740 3.318 -21.694 1.00 0.00 C ATOM 485 C GLY A 34 5.304 3.693 -22.135 1.00 0.00 C ATOM 486 O GLY A 34 5.104 4.364 -23.155 1.00 0.00 O ATOM 0 H GLY A 34 6.507 1.567 -22.857 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.747 3.060 -20.635 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.401 4.176 -21.818 1.00 0.00 H new ATOM 490 N GLY A 35 4.304 3.274 -21.333 1.00 0.00 N ATOM 491 CA GLY A 35 2.884 3.643 -21.557 1.00 0.00 C ATOM 492 C GLY A 35 1.961 2.816 -20.626 1.00 0.00 C ATOM 493 O GLY A 35 1.104 3.372 -19.927 1.00 0.00 O ATOM 0 H GLY A 35 4.451 2.677 -20.519 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.743 4.707 -21.368 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.615 3.466 -22.598 1.00 0.00 H new ATOM 497 N ASP A 36 2.162 1.484 -20.620 1.00 0.00 N ATOM 498 CA ASP A 36 1.310 0.531 -19.860 1.00 0.00 C ATOM 499 C ASP A 36 2.148 -0.737 -19.537 1.00 0.00 C ATOM 500 O ASP A 36 2.898 -1.229 -20.389 1.00 0.00 O ATOM 501 CB ASP A 36 -0.006 0.202 -20.623 1.00 0.00 C ATOM 502 CG ASP A 36 0.042 0.357 -22.152 1.00 0.00 C ATOM 503 OD1 ASP A 36 1.046 -0.059 -22.771 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.927 0.889 -22.738 1.00 0.00 O ATOM 0 H ASP A 36 2.916 1.033 -21.138 1.00 0.00 H new ATOM 0 HA ASP A 36 0.995 0.988 -18.922 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.290 -0.825 -20.391 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.796 0.846 -20.237 1.00 0.00 H new ATOM 509 N ILE A 37 2.029 -1.232 -18.290 1.00 0.00 N ATOM 510 CA ILE A 37 2.724 -2.462 -17.824 1.00 0.00 C ATOM 511 C ILE A 37 1.840 -3.699 -18.145 1.00 0.00 C ATOM 512 O ILE A 37 0.837 -3.588 -18.862 1.00 0.00 O ATOM 513 CB ILE A 37 3.172 -2.411 -16.316 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.988 -1.031 -15.610 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.614 -2.953 -16.144 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.946 -0.743 -14.442 1.00 0.00 C ATOM 0 H ILE A 37 1.450 -0.795 -17.573 1.00 0.00 H new ATOM 0 HA ILE A 37 3.663 -2.541 -18.372 1.00 0.00 H new ATOM 0 HB ILE A 37 2.478 -3.071 -15.797 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.107 -0.244 -16.355 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.965 -0.967 -15.240 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.897 -2.906 -15.093 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.657 -3.987 -16.486 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.303 -2.347 -16.733 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.728 0.241 -14.027 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.815 -1.500 -13.669 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.975 -0.766 -14.801 1.00 0.00 H new ATOM 528 N SER A 38 2.215 -4.870 -17.596 1.00 0.00 N ATOM 529 CA SER A 38 1.456 -6.135 -17.791 1.00 0.00 C ATOM 530 C SER A 38 1.789 -7.130 -16.646 1.00 0.00 C ATOM 531 O SER A 38 2.248 -6.725 -15.571 1.00 0.00 O ATOM 532 CB SER A 38 1.774 -6.715 -19.188 1.00 0.00 C ATOM 533 OG SER A 38 1.966 -5.681 -20.149 1.00 0.00 O ATOM 0 H SER A 38 3.043 -4.973 -17.009 1.00 0.00 H new ATOM 0 HA SER A 38 0.384 -5.944 -17.750 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.670 -7.332 -19.132 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.959 -7.364 -19.508 1.00 0.00 H new ATOM 0 HG SER A 38 2.791 -5.193 -19.944 1.00 0.00 H new ATOM 539 N THR A 39 1.577 -8.433 -16.911 1.00 0.00 N ATOM 540 CA THR A 39 1.836 -9.523 -15.934 1.00 0.00 C ATOM 541 C THR A 39 3.340 -9.905 -15.996 1.00 0.00 C ATOM 542 O THR A 39 4.048 -9.853 -14.981 1.00 0.00 O ATOM 543 CB THR A 39 0.893 -10.748 -16.157 1.00 0.00 C ATOM 544 OG1 THR A 39 0.618 -10.924 -17.545 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.452 -10.685 -15.410 1.00 0.00 C ATOM 0 H THR A 39 1.221 -8.766 -17.807 1.00 0.00 H new ATOM 0 HA THR A 39 1.608 -9.168 -14.929 1.00 0.00 H new ATOM 0 HB THR A 39 1.448 -11.590 -15.743 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.027 -11.697 -17.666 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.033 -11.581 -15.630 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.270 -10.626 -14.337 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.007 -9.804 -15.733 1.00 0.00 H new ATOM 553 N LYS A 40 3.816 -10.292 -17.195 1.00 0.00 N ATOM 554 CA LYS A 40 5.234 -10.691 -17.410 1.00 0.00 C ATOM 555 C LYS A 40 6.136 -9.447 -17.181 1.00 0.00 C ATOM 556 O LYS A 40 7.141 -9.519 -16.465 1.00 0.00 O ATOM 557 CB LYS A 40 5.391 -11.329 -18.820 1.00 0.00 C ATOM 558 CG LYS A 40 4.135 -11.441 -19.722 1.00 0.00 C ATOM 559 CD LYS A 40 4.221 -12.281 -21.019 1.00 0.00 C ATOM 560 CE LYS A 40 5.518 -12.152 -21.846 1.00 0.00 C ATOM 561 NZ LYS A 40 5.963 -13.418 -22.456 1.00 0.00 N ATOM 0 H LYS A 40 3.242 -10.339 -18.037 1.00 0.00 H new ATOM 0 HA LYS A 40 5.548 -11.454 -16.698 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.140 -10.753 -19.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.795 -12.333 -18.687 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.329 -11.853 -19.115 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.839 -10.430 -20.002 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.090 -13.330 -20.754 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.382 -12.006 -21.658 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.364 -11.414 -22.634 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.311 -11.771 -21.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.838 -13.255 -22.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.142 -14.119 -21.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.224 -13.774 -23.095 1.00 0.00 H new ATOM 575 N GLU A 41 5.762 -8.315 -17.807 1.00 0.00 N ATOM 576 CA GLU A 41 6.566 -7.065 -17.772 1.00 0.00 C ATOM 577 C GLU A 41 6.914 -6.729 -16.297 1.00 0.00 C ATOM 578 O GLU A 41 8.084 -6.521 -15.955 1.00 0.00 O ATOM 579 CB GLU A 41 5.830 -5.901 -18.497 1.00 0.00 C ATOM 580 CG GLU A 41 5.532 -6.067 -20.008 1.00 0.00 C ATOM 581 CD GLU A 41 4.983 -4.806 -20.682 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.153 -4.102 -20.066 1.00 0.00 O ATOM 583 OE2 GLU A 41 5.379 -4.515 -21.833 1.00 0.00 O ATOM 0 H GLU A 41 4.902 -8.235 -18.349 1.00 0.00 H new ATOM 0 HA GLU A 41 7.499 -7.211 -18.317 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.883 -5.733 -17.985 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.426 -4.997 -18.370 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.448 -6.368 -20.517 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.814 -6.877 -20.138 1.00 0.00 H new ATOM 590 N LEU A 42 5.884 -6.709 -15.431 1.00 0.00 N ATOM 591 CA LEU A 42 6.033 -6.355 -13.995 1.00 0.00 C ATOM 592 C LEU A 42 6.923 -7.435 -13.324 1.00 0.00 C ATOM 593 O LEU A 42 7.711 -7.137 -12.418 1.00 0.00 O ATOM 594 CB LEU A 42 4.642 -6.238 -13.303 1.00 0.00 C ATOM 595 CG LEU A 42 4.611 -5.695 -11.844 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.279 -4.190 -11.815 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.622 -6.468 -10.947 1.00 0.00 C ATOM 0 H LEU A 42 4.926 -6.936 -15.699 1.00 0.00 H new ATOM 0 HA LEU A 42 6.509 -5.380 -13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.014 -5.592 -13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.181 -7.226 -13.305 1.00 0.00 H new ATOM 0 HG LEU A 42 5.612 -5.847 -11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.265 -3.840 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.036 -3.640 -12.374 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.301 -4.024 -12.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.640 -6.049 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.616 -6.384 -11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.911 -7.518 -10.908 1.00 0.00 H new ATOM 609 N GLY A 43 6.762 -8.699 -13.762 1.00 0.00 N ATOM 610 CA GLY A 43 7.454 -9.862 -13.154 1.00 0.00 C ATOM 611 C GLY A 43 8.967 -9.575 -12.975 1.00 0.00 C ATOM 612 O GLY A 43 9.611 -10.142 -12.080 1.00 0.00 O ATOM 0 H GLY A 43 6.153 -8.946 -14.542 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.007 -10.091 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.319 -10.741 -13.784 1.00 0.00 H new ATOM 616 N THR A 44 9.526 -8.718 -13.848 1.00 0.00 N ATOM 617 CA THR A 44 10.983 -8.424 -13.883 1.00 0.00 C ATOM 618 C THR A 44 11.388 -7.718 -12.559 1.00 0.00 C ATOM 619 O THR A 44 12.018 -8.328 -11.687 1.00 0.00 O ATOM 620 CB THR A 44 11.386 -7.604 -15.150 1.00 0.00 C ATOM 621 OG1 THR A 44 11.792 -8.474 -16.204 1.00 0.00 O ATOM 622 CG2 THR A 44 12.503 -6.567 -14.932 1.00 0.00 C ATOM 0 H THR A 44 8.989 -8.208 -14.549 1.00 0.00 H new ATOM 0 HA THR A 44 11.536 -9.360 -13.960 1.00 0.00 H new ATOM 0 HB THR A 44 10.483 -7.050 -15.406 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.039 -7.943 -16.990 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.709 -6.052 -15.870 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.186 -5.843 -14.182 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.406 -7.072 -14.589 1.00 0.00 H new ATOM 630 N VAL A 45 11.042 -6.422 -12.445 1.00 0.00 N ATOM 631 CA VAL A 45 11.448 -5.561 -11.301 1.00 0.00 C ATOM 632 C VAL A 45 11.083 -6.315 -9.993 1.00 0.00 C ATOM 633 O VAL A 45 11.835 -6.269 -9.010 1.00 0.00 O ATOM 634 CB VAL A 45 10.822 -4.123 -11.398 1.00 0.00 C ATOM 635 CG1 VAL A 45 10.170 -3.663 -10.072 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.818 -3.026 -11.849 1.00 0.00 C ATOM 0 H VAL A 45 10.474 -5.936 -13.139 1.00 0.00 H new ATOM 0 HA VAL A 45 12.524 -5.384 -11.315 1.00 0.00 H new ATOM 0 HB VAL A 45 10.060 -4.234 -12.169 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.754 -2.663 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.373 -4.355 -9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.922 -3.646 -9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.306 -2.064 -11.890 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.642 -2.968 -11.138 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.208 -3.272 -12.837 1.00 0.00 H new ATOM 646 N MET A 46 9.912 -6.978 -9.985 1.00 0.00 N ATOM 647 CA MET A 46 9.369 -7.655 -8.776 1.00 0.00 C ATOM 648 C MET A 46 10.456 -8.628 -8.246 1.00 0.00 C ATOM 649 O MET A 46 11.002 -8.432 -7.153 1.00 0.00 O ATOM 650 CB MET A 46 8.028 -8.378 -9.085 1.00 0.00 C ATOM 651 CG MET A 46 6.764 -7.498 -9.039 1.00 0.00 C ATOM 652 SD MET A 46 5.396 -8.416 -8.298 1.00 0.00 S ATOM 653 CE MET A 46 4.407 -7.075 -7.603 1.00 0.00 C ATOM 0 H MET A 46 9.313 -7.064 -10.806 1.00 0.00 H new ATOM 0 HA MET A 46 9.136 -6.921 -8.005 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.099 -8.827 -10.076 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.905 -9.194 -8.373 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.961 -6.595 -8.462 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.496 -7.180 -10.047 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.409 -7.147 -6.515 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.830 -6.117 -7.904 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.383 -7.150 -7.969 1.00 0.00 H new ATOM 663 N ARG A 47 10.737 -9.692 -9.020 1.00 0.00 N ATOM 664 CA ARG A 47 11.667 -10.783 -8.625 1.00 0.00 C ATOM 665 C ARG A 47 13.116 -10.433 -9.063 1.00 0.00 C ATOM 666 O ARG A 47 13.917 -11.337 -9.345 1.00 0.00 O ATOM 667 CB ARG A 47 11.209 -12.131 -9.255 1.00 0.00 C ATOM 668 CG ARG A 47 10.583 -13.131 -8.256 1.00 0.00 C ATOM 669 CD ARG A 47 9.043 -13.067 -8.216 1.00 0.00 C ATOM 670 NE ARG A 47 8.482 -13.797 -7.050 1.00 0.00 N ATOM 671 CZ ARG A 47 8.578 -15.129 -6.851 1.00 0.00 C ATOM 672 NH1 ARG A 47 9.196 -15.965 -7.684 1.00 0.00 N ATOM 673 NH2 ARG A 47 8.024 -15.635 -5.765 1.00 0.00 N ATOM 0 H ARG A 47 10.326 -9.826 -9.944 1.00 0.00 H new ATOM 0 HA ARG A 47 11.652 -10.889 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.483 -11.921 -10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.068 -12.604 -9.732 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.891 -14.142 -8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.974 -12.931 -7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.725 -12.025 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.639 -13.490 -9.136 1.00 0.00 H new ATOM 0 HE ARG A 47 7.986 -13.250 -6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.634 -15.608 -8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.231 -16.962 -7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.542 -15.024 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.078 -16.637 -5.585 1.00 0.00 H new ATOM 687 N MET A 48 13.455 -9.131 -9.089 1.00 0.00 N ATOM 688 CA MET A 48 14.834 -8.651 -9.381 1.00 0.00 C ATOM 689 C MET A 48 15.780 -9.194 -8.275 1.00 0.00 C ATOM 690 O MET A 48 16.973 -9.412 -8.524 1.00 0.00 O ATOM 691 CB MET A 48 14.896 -7.099 -9.495 1.00 0.00 C ATOM 692 CG MET A 48 15.263 -6.336 -8.210 1.00 0.00 C ATOM 693 SD MET A 48 15.969 -4.725 -8.625 1.00 0.00 S ATOM 694 CE MET A 48 14.515 -3.662 -8.511 1.00 0.00 C ATOM 0 H MET A 48 12.790 -8.379 -8.910 1.00 0.00 H new ATOM 0 HA MET A 48 15.156 -9.028 -10.351 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.623 -6.841 -10.266 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.926 -6.742 -9.840 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.376 -6.204 -7.590 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.978 -6.915 -7.625 1.00 0.00 H new ATOM 0 HE1 MET A 48 14.796 -2.635 -8.742 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.761 -4.000 -9.222 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.108 -3.709 -7.501 1.00 0.00 H new ATOM 704 N LEU A 49 15.246 -9.374 -7.053 1.00 0.00 N ATOM 705 CA LEU A 49 16.024 -9.854 -5.878 1.00 0.00 C ATOM 706 C LEU A 49 16.868 -11.081 -6.315 1.00 0.00 C ATOM 707 O LEU A 49 18.087 -11.122 -6.108 1.00 0.00 O ATOM 708 CB LEU A 49 15.075 -10.200 -4.690 1.00 0.00 C ATOM 709 CG LEU A 49 14.236 -9.039 -4.080 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.249 -7.772 -4.961 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.782 -9.479 -3.817 1.00 0.00 C ATOM 0 H LEU A 49 14.264 -9.193 -6.844 1.00 0.00 H new ATOM 0 HA LEU A 49 16.693 -9.068 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.385 -10.974 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.678 -10.634 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 49 14.710 -8.787 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.649 -6.994 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.274 -7.420 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.833 -8.006 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.221 -8.647 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.319 -9.786 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.776 -10.316 -3.119 1.00 0.00 H new ATOM 723 N GLY A 50 16.206 -12.068 -6.951 1.00 0.00 N ATOM 724 CA GLY A 50 16.887 -13.270 -7.496 1.00 0.00 C ATOM 725 C GLY A 50 16.005 -14.529 -7.292 1.00 0.00 C ATOM 726 O GLY A 50 16.250 -15.329 -6.380 1.00 0.00 O ATOM 0 H GLY A 50 15.197 -12.060 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.092 -13.130 -8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.848 -13.407 -7.001 1.00 0.00 H new ATOM 730 N GLN A 51 15.001 -14.703 -8.172 1.00 0.00 N ATOM 731 CA GLN A 51 14.107 -15.891 -8.175 1.00 0.00 C ATOM 732 C GLN A 51 13.727 -16.211 -9.647 1.00 0.00 C ATOM 733 O GLN A 51 14.367 -15.721 -10.585 1.00 0.00 O ATOM 734 CB GLN A 51 12.862 -15.631 -7.280 1.00 0.00 C ATOM 735 CG GLN A 51 12.651 -16.612 -6.100 1.00 0.00 C ATOM 736 CD GLN A 51 11.814 -16.044 -4.941 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.622 -16.324 -4.816 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.412 -15.244 -4.070 1.00 0.00 N ATOM 0 H GLN A 51 14.781 -14.027 -8.904 1.00 0.00 H new ATOM 0 HA GLN A 51 14.614 -16.759 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.935 -14.621 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.974 -15.659 -7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.165 -17.513 -6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.625 -16.912 -5.715 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.400 -15.017 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.884 -14.855 -3.289 1.00 0.00 H new ATOM 747 N ASN A 52 12.676 -17.032 -9.828 1.00 0.00 N ATOM 748 CA ASN A 52 12.117 -17.350 -11.168 1.00 0.00 C ATOM 749 C ASN A 52 10.573 -17.627 -11.067 1.00 0.00 C ATOM 750 O ASN A 52 10.204 -18.771 -10.774 1.00 0.00 O ATOM 751 CB ASN A 52 12.897 -18.554 -11.765 1.00 0.00 C ATOM 752 CG ASN A 52 12.953 -18.588 -13.308 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.619 -17.612 -13.980 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.378 -19.697 -13.895 1.00 0.00 N ATOM 0 H ASN A 52 12.189 -17.494 -9.060 1.00 0.00 H new ATOM 0 HA ASN A 52 12.237 -16.499 -11.839 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.916 -18.536 -11.379 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.438 -19.477 -11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.431 -19.748 -14.912 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.653 -20.500 -13.330 1.00 0.00 H new ATOM 761 N PRO A 53 9.647 -16.638 -11.270 1.00 0.00 N ATOM 762 CA PRO A 53 8.183 -16.852 -11.144 1.00 0.00 C ATOM 763 C PRO A 53 7.582 -17.544 -12.398 1.00 0.00 C ATOM 764 O PRO A 53 8.315 -17.956 -13.306 1.00 0.00 O ATOM 765 CB PRO A 53 7.667 -15.417 -10.908 1.00 0.00 C ATOM 766 CG PRO A 53 8.667 -14.489 -11.601 1.00 0.00 C ATOM 767 CD PRO A 53 10.005 -15.220 -11.518 1.00 0.00 C ATOM 0 HA PRO A 53 7.896 -17.533 -10.343 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.666 -15.290 -11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.603 -15.196 -9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.382 -14.304 -12.637 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.715 -13.519 -11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.573 -15.111 -12.442 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.624 -14.822 -10.714 1.00 0.00 H new ATOM 775 N THR A 54 6.243 -17.681 -12.422 1.00 0.00 N ATOM 776 CA THR A 54 5.506 -18.318 -13.546 1.00 0.00 C ATOM 777 C THR A 54 4.349 -17.377 -13.981 1.00 0.00 C ATOM 778 O THR A 54 4.020 -16.413 -13.281 1.00 0.00 O ATOM 779 CB THR A 54 5.011 -19.754 -13.183 1.00 0.00 C ATOM 780 OG1 THR A 54 5.168 -20.636 -14.293 1.00 0.00 O ATOM 781 CG2 THR A 54 3.548 -19.843 -12.709 1.00 0.00 C ATOM 0 H THR A 54 5.637 -17.357 -11.668 1.00 0.00 H new ATOM 0 HA THR A 54 6.181 -18.455 -14.391 1.00 0.00 H new ATOM 0 HB THR A 54 5.638 -20.046 -12.340 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.854 -21.531 -14.046 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.302 -20.880 -12.482 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.418 -19.235 -11.814 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.888 -19.477 -13.495 1.00 0.00 H new ATOM 789 N LYS A 55 3.762 -17.660 -15.159 1.00 0.00 N ATOM 790 CA LYS A 55 2.702 -16.812 -15.766 1.00 0.00 C ATOM 791 C LYS A 55 1.413 -16.969 -14.913 1.00 0.00 C ATOM 792 O LYS A 55 0.643 -16.015 -14.751 1.00 0.00 O ATOM 793 CB LYS A 55 2.484 -17.203 -17.259 1.00 0.00 C ATOM 794 CG LYS A 55 3.191 -16.333 -18.327 1.00 0.00 C ATOM 795 CD LYS A 55 4.683 -16.036 -18.050 1.00 0.00 C ATOM 796 CE LYS A 55 5.494 -17.238 -17.527 1.00 0.00 C ATOM 797 NZ LYS A 55 6.929 -17.166 -17.864 1.00 0.00 N ATOM 0 H LYS A 55 4.003 -18.477 -15.720 1.00 0.00 H new ATOM 0 HA LYS A 55 2.994 -15.762 -15.765 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.814 -18.234 -17.390 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.413 -17.183 -17.461 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.109 -16.833 -19.292 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.658 -15.386 -18.412 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.144 -15.677 -18.970 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.749 -15.227 -17.323 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.385 -17.297 -16.444 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.077 -18.156 -17.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.417 -18.002 -17.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.042 -17.139 -18.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.341 -16.306 -17.448 1.00 0.00 H new ATOM 811 N GLU A 56 1.182 -18.191 -14.400 1.00 0.00 N ATOM 812 CA GLU A 56 -0.057 -18.538 -13.653 1.00 0.00 C ATOM 813 C GLU A 56 -0.083 -17.712 -12.339 1.00 0.00 C ATOM 814 O GLU A 56 -1.107 -17.112 -11.990 1.00 0.00 O ATOM 815 CB GLU A 56 -0.138 -20.075 -13.426 1.00 0.00 C ATOM 816 CG GLU A 56 -1.556 -20.683 -13.317 1.00 0.00 C ATOM 817 CD GLU A 56 -2.091 -20.776 -11.884 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.718 -21.724 -11.159 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.885 -19.898 -11.477 1.00 0.00 O ATOM 0 H GLU A 56 1.839 -18.966 -14.487 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.948 -18.278 -14.225 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.383 -20.569 -14.246 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.407 -20.314 -12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.244 -20.081 -13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.546 -21.681 -13.755 1.00 0.00 H new ATOM 826 N GLU A 57 1.053 -17.702 -11.617 1.00 0.00 N ATOM 827 CA GLU A 57 1.163 -17.049 -10.285 1.00 0.00 C ATOM 828 C GLU A 57 0.969 -15.518 -10.457 1.00 0.00 C ATOM 829 O GLU A 57 0.359 -14.858 -9.608 1.00 0.00 O ATOM 830 CB GLU A 57 2.505 -17.409 -9.586 1.00 0.00 C ATOM 831 CG GLU A 57 3.125 -18.797 -9.886 1.00 0.00 C ATOM 832 CD GLU A 57 3.195 -19.729 -8.672 1.00 0.00 C ATOM 833 OE1 GLU A 57 2.134 -20.211 -8.217 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.311 -19.982 -8.166 1.00 0.00 O ATOM 0 H GLU A 57 1.918 -18.141 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 57 0.378 -17.422 -9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.238 -16.649 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.352 -17.336 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.542 -19.282 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.131 -18.655 -10.280 1.00 0.00 H new ATOM 841 N LEU A 58 1.525 -14.964 -11.552 1.00 0.00 N ATOM 842 CA LEU A 58 1.516 -13.501 -11.815 1.00 0.00 C ATOM 843 C LEU A 58 0.060 -13.052 -12.113 1.00 0.00 C ATOM 844 O LEU A 58 -0.334 -11.928 -11.778 1.00 0.00 O ATOM 845 CB LEU A 58 2.517 -13.196 -12.967 1.00 0.00 C ATOM 846 CG LEU A 58 3.871 -12.545 -12.562 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.979 -12.935 -13.559 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.790 -11.008 -12.444 1.00 0.00 C ATOM 0 H LEU A 58 1.991 -15.508 -12.278 1.00 0.00 H new ATOM 0 HA LEU A 58 1.847 -12.928 -10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.731 -14.129 -13.488 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.023 -12.538 -13.682 1.00 0.00 H new ATOM 0 HG LEU A 58 4.113 -12.931 -11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.918 -12.470 -13.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.097 -14.019 -13.567 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.707 -12.592 -14.557 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.765 -10.613 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.493 -10.585 -13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.054 -10.740 -11.686 1.00 0.00 H new ATOM 860 N ASP A 59 -0.714 -13.938 -12.767 1.00 0.00 N ATOM 861 CA ASP A 59 -2.103 -13.639 -13.206 1.00 0.00 C ATOM 862 C ASP A 59 -2.973 -13.358 -11.951 1.00 0.00 C ATOM 863 O ASP A 59 -3.921 -12.565 -12.004 1.00 0.00 O ATOM 864 CB ASP A 59 -2.683 -14.778 -14.094 1.00 0.00 C ATOM 865 CG ASP A 59 -4.080 -14.529 -14.688 1.00 0.00 C ATOM 866 OD1 ASP A 59 -5.087 -14.726 -13.973 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.172 -14.141 -15.874 1.00 0.00 O ATOM 0 H ASP A 59 -0.402 -14.879 -13.008 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.104 -12.750 -13.836 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.989 -14.960 -14.914 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.721 -15.691 -13.500 1.00 0.00 H new ATOM 872 N ALA A 60 -2.653 -14.040 -10.836 1.00 0.00 N ATOM 873 CA ALA A 60 -3.342 -13.835 -9.534 1.00 0.00 C ATOM 874 C ALA A 60 -2.885 -12.493 -8.897 1.00 0.00 C ATOM 875 O ALA A 60 -3.697 -11.762 -8.318 1.00 0.00 O ATOM 876 CB ALA A 60 -3.052 -15.037 -8.614 1.00 0.00 C ATOM 0 H ALA A 60 -1.916 -14.745 -10.804 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.420 -13.773 -9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.554 -14.893 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.419 -15.950 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.977 -15.119 -8.451 1.00 0.00 H new ATOM 882 N ILE A 61 -1.573 -12.208 -8.994 1.00 0.00 N ATOM 883 CA ILE A 61 -0.966 -10.966 -8.446 1.00 0.00 C ATOM 884 C ILE A 61 -1.827 -9.788 -8.980 1.00 0.00 C ATOM 885 O ILE A 61 -2.081 -8.817 -8.255 1.00 0.00 O ATOM 886 CB ILE A 61 0.571 -10.867 -8.778 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.477 -11.212 -7.554 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.967 -9.482 -9.357 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.479 -10.125 -7.133 1.00 0.00 C ATOM 0 H ILE A 61 -0.901 -12.825 -9.451 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.982 -10.949 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 61 0.744 -11.620 -9.547 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.834 -11.436 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.032 -12.122 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.036 -9.468 -9.568 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.413 -9.301 -10.278 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.730 -8.703 -8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.054 -10.473 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.156 -9.913 -7.961 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.939 -9.217 -6.864 1.00 0.00 H new ATOM 901 N ILE A 62 -2.264 -9.887 -10.249 1.00 0.00 N ATOM 902 CA ILE A 62 -3.004 -8.804 -10.954 1.00 0.00 C ATOM 903 C ILE A 62 -4.463 -8.858 -10.423 1.00 0.00 C ATOM 904 O ILE A 62 -5.091 -7.813 -10.210 1.00 0.00 O ATOM 905 CB ILE A 62 -2.862 -8.918 -12.518 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.378 -8.836 -12.998 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.722 -7.867 -13.272 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.130 -8.019 -14.276 1.00 0.00 C ATOM 0 H ILE A 62 -2.118 -10.718 -10.822 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.588 -7.819 -10.744 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.241 -9.909 -12.766 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.780 -8.407 -12.194 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.013 -9.850 -13.161 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.587 -7.990 -14.347 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.773 -8.008 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.410 -6.864 -12.979 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.067 -8.031 -14.515 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.692 -8.455 -15.102 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.455 -6.991 -14.119 1.00 0.00 H new ATOM 920 N GLU A 63 -4.994 -10.082 -10.242 1.00 0.00 N ATOM 921 CA GLU A 63 -6.379 -10.300 -9.743 1.00 0.00 C ATOM 922 C GLU A 63 -6.603 -9.401 -8.496 1.00 0.00 C ATOM 923 O GLU A 63 -7.720 -8.929 -8.251 1.00 0.00 O ATOM 924 CB GLU A 63 -6.629 -11.812 -9.468 1.00 0.00 C ATOM 925 CG GLU A 63 -8.104 -12.249 -9.304 1.00 0.00 C ATOM 926 CD GLU A 63 -8.674 -13.000 -10.511 1.00 0.00 C ATOM 927 OE1 GLU A 63 -7.905 -13.698 -11.209 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.895 -12.898 -10.767 1.00 0.00 O ATOM 0 H GLU A 63 -4.486 -10.945 -10.434 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.112 -10.012 -10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.193 -12.384 -10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.089 -12.088 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.187 -12.885 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.715 -11.365 -9.119 1.00 0.00 H new ATOM 935 N GLU A 64 -5.530 -9.189 -7.711 1.00 0.00 N ATOM 936 CA GLU A 64 -5.584 -8.385 -6.461 1.00 0.00 C ATOM 937 C GLU A 64 -5.661 -6.883 -6.848 1.00 0.00 C ATOM 938 O GLU A 64 -6.482 -6.132 -6.307 1.00 0.00 O ATOM 939 CB GLU A 64 -4.376 -8.732 -5.543 1.00 0.00 C ATOM 940 CG GLU A 64 -4.699 -9.018 -4.057 1.00 0.00 C ATOM 941 CD GLU A 64 -3.625 -8.534 -3.078 1.00 0.00 C ATOM 942 OE1 GLU A 64 -2.430 -8.516 -3.450 1.00 0.00 O ATOM 943 OE2 GLU A 64 -3.970 -8.173 -1.931 1.00 0.00 O ATOM 0 H GLU A 64 -4.604 -9.564 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.474 -8.623 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.872 -9.606 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.667 -7.905 -5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.646 -8.542 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.837 -10.091 -3.927 1.00 0.00 H new ATOM 950 N VAL A 65 -4.774 -6.454 -7.766 1.00 0.00 N ATOM 951 CA VAL A 65 -4.632 -5.030 -8.170 1.00 0.00 C ATOM 952 C VAL A 65 -5.145 -4.906 -9.631 1.00 0.00 C ATOM 953 O VAL A 65 -4.460 -4.342 -10.496 1.00 0.00 O ATOM 954 CB VAL A 65 -3.166 -4.507 -7.966 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.850 -4.046 -6.521 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.095 -5.544 -8.385 1.00 0.00 C ATOM 0 H VAL A 65 -4.132 -7.080 -8.252 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.234 -4.384 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.119 -3.638 -8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.818 -3.700 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.520 -3.232 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.989 -4.881 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.101 -5.127 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.211 -6.449 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.217 -5.787 -9.440 1.00 0.00 H new ATOM 966 N ASP A 66 -6.354 -5.435 -9.893 1.00 0.00 N ATOM 967 CA ASP A 66 -6.981 -5.393 -11.243 1.00 0.00 C ATOM 968 C ASP A 66 -8.463 -5.838 -11.115 1.00 0.00 C ATOM 969 O ASP A 66 -8.864 -6.885 -11.640 1.00 0.00 O ATOM 970 CB ASP A 66 -6.182 -6.243 -12.273 1.00 0.00 C ATOM 971 CG ASP A 66 -6.487 -5.968 -13.756 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.826 -5.094 -14.360 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.395 -6.621 -14.317 1.00 0.00 O ATOM 0 H ASP A 66 -6.926 -5.901 -9.188 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.957 -4.374 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.118 -6.076 -12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.375 -7.297 -12.072 1.00 0.00 H new ATOM 978 N GLU A 67 -9.259 -5.045 -10.374 1.00 0.00 N ATOM 979 CA GLU A 67 -10.702 -5.302 -10.127 1.00 0.00 C ATOM 980 C GLU A 67 -11.540 -4.675 -11.275 1.00 0.00 C ATOM 981 O GLU A 67 -12.649 -4.148 -11.050 1.00 0.00 O ATOM 982 CB GLU A 67 -11.097 -4.771 -8.715 1.00 0.00 C ATOM 983 CG GLU A 67 -10.871 -5.736 -7.527 1.00 0.00 C ATOM 984 CD GLU A 67 -11.773 -5.466 -6.319 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.988 -5.756 -6.393 1.00 0.00 O ATOM 986 OE2 GLU A 67 -11.272 -4.959 -5.291 1.00 0.00 O ATOM 0 H GLU A 67 -8.920 -4.196 -9.922 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.910 -6.372 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.534 -3.857 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.152 -4.497 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.035 -6.758 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.830 -5.668 -7.211 1.00 0.00 H new ATOM 993 N ASP A 68 -11.037 -4.752 -12.521 1.00 0.00 N ATOM 994 CA ASP A 68 -11.695 -4.158 -13.717 1.00 0.00 C ATOM 995 C ASP A 68 -11.917 -5.273 -14.773 1.00 0.00 C ATOM 996 O ASP A 68 -13.023 -5.811 -14.909 1.00 0.00 O ATOM 997 CB ASP A 68 -10.883 -2.954 -14.278 1.00 0.00 C ATOM 998 CG ASP A 68 -9.404 -2.881 -13.861 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.120 -2.854 -12.643 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.525 -2.844 -14.750 1.00 0.00 O ATOM 0 H ASP A 68 -10.161 -5.228 -12.735 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.666 -3.751 -13.436 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.931 -2.985 -15.366 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.374 -2.033 -13.963 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.859 -5.590 -15.548 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.936 -6.602 -16.632 1.00 0.00 C ATOM 1007 C GLY A 69 -9.683 -6.522 -17.539 1.00 0.00 C ATOM 1008 O GLY A 69 -9.165 -7.549 -17.996 1.00 0.00 O ATOM 0 H GLY A 69 -9.939 -5.162 -15.446 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.017 -7.600 -16.201 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.834 -6.438 -17.227 1.00 0.00 H new ATOM 1012 N SER A 70 -9.208 -5.288 -17.795 1.00 0.00 N ATOM 1013 CA SER A 70 -8.079 -5.012 -18.723 1.00 0.00 C ATOM 1014 C SER A 70 -6.916 -6.006 -18.465 1.00 0.00 C ATOM 1015 O SER A 70 -6.438 -6.681 -19.386 1.00 0.00 O ATOM 1016 CB SER A 70 -7.636 -3.538 -18.563 1.00 0.00 C ATOM 1017 OG SER A 70 -6.873 -3.351 -17.375 1.00 0.00 O ATOM 0 H SER A 70 -9.594 -4.447 -17.366 1.00 0.00 H new ATOM 0 HA SER A 70 -8.399 -5.158 -19.755 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.045 -3.238 -19.428 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.514 -2.893 -18.538 1.00 0.00 H new ATOM 0 HG SER A 70 -7.477 -3.200 -16.618 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.486 -6.113 -17.192 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.409 -7.050 -16.785 1.00 0.00 C ATOM 1025 C GLY A 71 -4.045 -6.313 -16.727 1.00 0.00 C ATOM 1026 O GLY A 71 -3.179 -6.651 -15.909 1.00 0.00 O ATOM 0 H GLY A 71 -6.867 -5.562 -16.423 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.640 -7.478 -15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.352 -7.878 -17.491 1.00 0.00 H new ATOM 1030 N THR A 72 -3.875 -5.307 -17.606 1.00 0.00 N ATOM 1031 CA THR A 72 -2.639 -4.483 -17.680 1.00 0.00 C ATOM 1032 C THR A 72 -2.730 -3.352 -16.620 1.00 0.00 C ATOM 1033 O THR A 72 -3.813 -2.810 -16.367 1.00 0.00 O ATOM 1034 CB THR A 72 -2.379 -3.942 -19.121 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.608 -3.737 -19.812 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.480 -4.829 -20.002 1.00 0.00 C ATOM 0 H THR A 72 -4.585 -5.038 -18.287 1.00 0.00 H new ATOM 0 HA THR A 72 -1.774 -5.106 -17.452 1.00 0.00 H new ATOM 0 HB THR A 72 -1.844 -3.006 -18.960 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.424 -3.396 -20.712 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.361 -4.367 -20.982 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.503 -4.938 -19.531 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.939 -5.811 -20.118 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.588 -3.025 -15.986 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.505 -1.965 -14.945 1.00 0.00 C ATOM 1046 C ILE A 73 -1.058 -0.671 -15.678 1.00 0.00 C ATOM 1047 O ILE A 73 0.132 -0.328 -15.682 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.586 -2.395 -13.740 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.045 -3.734 -13.079 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.460 -1.286 -12.660 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.755 -3.603 -11.722 1.00 0.00 C ATOM 0 H ILE A 73 -0.696 -3.482 -16.175 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.467 -1.786 -14.465 1.00 0.00 H new ATOM 0 HB ILE A 73 0.399 -2.556 -14.178 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.714 -4.247 -13.770 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.170 -4.372 -12.950 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.184 -1.635 -11.853 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.028 -0.390 -13.107 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.447 -1.053 -12.261 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.029 -4.593 -11.357 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.086 -3.125 -11.006 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.654 -2.998 -11.839 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.026 0.055 -16.268 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.759 1.318 -17.007 1.00 0.00 C ATOM 1065 C ASP A 74 -1.455 2.452 -15.988 1.00 0.00 C ATOM 1066 O ASP A 74 -1.489 2.248 -14.766 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.931 1.677 -17.966 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.302 1.071 -17.617 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -5.050 1.686 -16.825 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.635 -0.015 -18.139 1.00 0.00 O ATOM 0 H ASP A 74 -3.011 -0.209 -16.250 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.884 1.186 -17.643 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.032 2.762 -17.993 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.661 1.357 -18.972 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.171 3.660 -16.511 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.898 4.863 -15.677 1.00 0.00 C ATOM 1077 C PHE A 75 -2.201 5.283 -14.944 1.00 0.00 C ATOM 1078 O PHE A 75 -2.145 5.896 -13.869 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.324 6.015 -16.554 1.00 0.00 C ATOM 1080 CG PHE A 75 0.631 6.981 -15.821 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.787 6.896 -14.432 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.360 7.939 -16.535 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.661 7.755 -13.770 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.233 8.796 -15.869 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.381 8.705 -14.488 1.00 0.00 C ATOM 0 H PHE A 75 -1.123 3.837 -17.514 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.144 4.630 -14.926 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.206 5.577 -17.400 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.156 6.590 -16.961 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.227 6.161 -13.872 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.245 8.014 -17.606 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.780 7.684 -12.699 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.796 9.532 -16.425 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.056 9.373 -13.973 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.365 4.971 -15.543 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.693 5.357 -14.997 1.00 0.00 C ATOM 1097 C GLU A 76 -5.228 4.205 -14.101 1.00 0.00 C ATOM 1098 O GLU A 76 -6.411 3.853 -14.163 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.681 5.740 -16.137 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.142 5.812 -17.587 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.155 6.350 -18.605 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.991 5.562 -19.101 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.118 7.563 -18.911 1.00 0.00 O ATOM 0 H GLU A 76 -3.419 4.446 -16.416 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.592 6.249 -14.379 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.499 5.020 -16.123 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.108 6.713 -15.893 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.255 6.446 -17.603 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.827 4.815 -17.896 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.341 3.653 -13.252 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.685 2.572 -12.290 1.00 0.00 C ATOM 1112 C GLU A 77 -3.583 2.490 -11.199 1.00 0.00 C ATOM 1113 O GLU A 77 -3.879 2.293 -10.015 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.889 1.205 -13.006 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.893 -0.050 -12.102 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.490 -1.282 -12.788 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -4.739 -2.029 -13.453 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -6.713 -1.513 -12.660 1.00 0.00 O ATOM 0 H GLU A 77 -3.363 3.939 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.636 2.812 -11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.835 1.240 -13.546 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.101 1.088 -13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.871 -0.272 -11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.459 0.164 -11.196 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.313 2.643 -11.620 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.139 2.591 -10.708 1.00 0.00 C ATOM 1127 C PHE A 78 -1.346 3.628 -9.571 1.00 0.00 C ATOM 1128 O PHE A 78 -1.078 3.342 -8.398 1.00 0.00 O ATOM 1129 CB PHE A 78 0.180 2.833 -11.504 1.00 0.00 C ATOM 1130 CG PHE A 78 1.480 2.676 -10.688 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.825 1.439 -10.130 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.355 3.760 -10.543 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.030 1.288 -9.447 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.558 3.606 -9.860 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.896 2.371 -9.314 1.00 0.00 C ATOM 0 H PHE A 78 -2.066 2.806 -12.596 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.051 1.603 -10.257 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.211 2.138 -12.343 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.153 3.839 -11.923 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.154 0.598 -10.229 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.095 4.720 -10.963 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.293 0.331 -9.021 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.230 4.445 -9.754 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.831 2.252 -8.787 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.797 4.840 -9.943 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.949 5.977 -8.997 1.00 0.00 C ATOM 1147 C LEU A 79 -3.040 5.601 -7.956 1.00 0.00 C ATOM 1148 O LEU A 79 -2.913 5.919 -6.767 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.306 7.290 -9.758 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.397 7.695 -10.955 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.767 9.075 -11.538 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.092 7.677 -10.556 1.00 0.00 C ATOM 0 H LEU A 79 -2.067 5.065 -10.901 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.007 6.164 -8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.327 7.198 -10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.300 8.109 -9.038 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.567 6.950 -11.733 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.102 9.309 -12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.798 9.056 -11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.662 9.836 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.702 7.964 -11.413 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.259 8.380 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.370 6.674 -10.233 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.110 4.931 -8.423 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.245 4.500 -7.562 1.00 0.00 C ATOM 1166 C VAL A 80 -4.687 3.517 -6.496 1.00 0.00 C ATOM 1167 O VAL A 80 -5.210 3.444 -5.376 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.429 3.911 -8.408 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.760 3.773 -7.629 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.708 4.723 -9.696 1.00 0.00 C ATOM 0 H VAL A 80 -4.219 4.670 -9.403 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.683 5.356 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.077 2.912 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.525 3.359 -8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.616 3.109 -6.777 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.078 4.754 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.536 4.269 -10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.966 5.748 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.818 4.724 -10.325 1.00 0.00 H new ATOM 1180 N MET A 81 -3.648 2.748 -6.868 1.00 0.00 N ATOM 1181 CA MET A 81 -3.003 1.751 -5.971 1.00 0.00 C ATOM 1182 C MET A 81 -2.416 2.508 -4.748 1.00 0.00 C ATOM 1183 O MET A 81 -2.868 2.321 -3.613 1.00 0.00 O ATOM 1184 CB MET A 81 -1.922 0.924 -6.722 1.00 0.00 C ATOM 1185 CG MET A 81 -1.779 -0.547 -6.288 1.00 0.00 C ATOM 1186 SD MET A 81 -0.115 -1.144 -6.657 1.00 0.00 S ATOM 1187 CE MET A 81 -0.323 -1.752 -8.344 1.00 0.00 C ATOM 0 H MET A 81 -3.227 2.794 -7.796 1.00 0.00 H new ATOM 0 HA MET A 81 -3.742 1.028 -5.626 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.149 0.948 -7.788 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.959 1.417 -6.590 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.979 -0.640 -5.221 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.517 -1.160 -6.805 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.624 -2.152 -8.706 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.077 -2.539 -8.357 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.642 -0.933 -8.989 1.00 0.00 H new ATOM 1197 N MET A 82 -1.382 3.335 -4.998 1.00 0.00 N ATOM 1198 CA MET A 82 -0.635 4.044 -3.923 1.00 0.00 C ATOM 1199 C MET A 82 -1.632 4.805 -3.006 1.00 0.00 C ATOM 1200 O MET A 82 -1.378 4.978 -1.808 1.00 0.00 O ATOM 1201 CB MET A 82 0.425 4.992 -4.550 1.00 0.00 C ATOM 1202 CG MET A 82 -0.083 6.401 -4.916 1.00 0.00 C ATOM 1203 SD MET A 82 1.281 7.585 -4.993 1.00 0.00 S ATOM 1204 CE MET A 82 1.458 8.054 -3.260 1.00 0.00 C ATOM 0 H MET A 82 -1.039 3.534 -5.938 1.00 0.00 H new ATOM 0 HA MET A 82 -0.101 3.323 -3.304 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.255 5.094 -3.851 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.821 4.522 -5.450 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.595 6.368 -5.878 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.814 6.731 -4.177 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.265 8.780 -3.160 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.526 8.495 -2.905 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.690 7.170 -2.666 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.747 5.280 -3.593 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.745 6.128 -2.888 1.00 0.00 C ATOM 1216 C VAL A 83 -4.449 5.241 -1.824 1.00 0.00 C ATOM 1217 O VAL A 83 -4.636 5.665 -0.676 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.736 6.823 -3.889 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.208 6.398 -3.671 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.678 8.372 -3.878 1.00 0.00 C ATOM 0 H VAL A 83 -2.987 5.091 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.254 6.959 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.386 6.474 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.845 6.911 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.300 5.320 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.517 6.663 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.394 8.768 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.925 8.738 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.674 8.700 -4.147 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.860 4.027 -2.232 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.649 3.098 -1.379 1.00 0.00 C ATOM 1232 C ARG A 84 -4.933 2.973 -0.007 1.00 0.00 C ATOM 1233 O ARG A 84 -5.565 3.104 1.049 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.795 1.712 -2.070 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.153 1.470 -2.770 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.015 0.658 -4.072 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.033 -0.804 -3.814 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.090 -1.611 -4.039 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.332 -1.166 -3.903 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.920 -2.890 -4.347 1.00 0.00 N ATOM 0 H ARG A 84 -4.659 3.655 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.656 3.487 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.999 1.605 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.645 0.933 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.820 0.944 -2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.618 2.430 -2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.828 0.918 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.085 0.928 -4.572 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.185 -1.229 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.500 -0.199 -3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.119 -1.790 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.979 -3.277 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.730 -3.486 -4.514 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.618 2.689 -0.041 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.805 2.455 1.183 1.00 0.00 C ATOM 1256 C GLN A 85 -2.627 3.810 1.921 1.00 0.00 C ATOM 1257 O GLN A 85 -2.596 3.856 3.156 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.447 1.797 0.808 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.516 0.349 0.265 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.623 -0.656 1.013 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -1.049 -1.759 1.354 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.626 -0.304 1.283 1.00 0.00 N ATOM 0 H GLN A 85 -3.085 2.614 -0.908 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.310 1.762 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.959 2.421 0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.809 1.802 1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.549 0.005 0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.232 0.355 -0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.971 0.612 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.242 -0.949 1.777 1.00 0.00 H new ATOM 1271 N MET A 86 -2.521 4.903 1.143 1.00 0.00 N ATOM 1272 CA MET A 86 -2.254 6.264 1.679 1.00 0.00 C ATOM 1273 C MET A 86 -3.319 6.566 2.768 1.00 0.00 C ATOM 1274 O MET A 86 -3.024 7.223 3.774 1.00 0.00 O ATOM 1275 CB MET A 86 -2.249 7.329 0.546 1.00 0.00 C ATOM 1276 CG MET A 86 -0.921 8.081 0.337 1.00 0.00 C ATOM 1277 SD MET A 86 -1.230 9.855 0.188 1.00 0.00 S ATOM 1278 CE MET A 86 -2.206 9.918 -1.329 1.00 0.00 C ATOM 0 H MET A 86 -2.617 4.875 0.128 1.00 0.00 H new ATOM 0 HA MET A 86 -1.261 6.305 2.126 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.517 6.838 -0.389 1.00 0.00 H new ATOM 0 HB3 MET A 86 -3.029 8.060 0.757 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.250 7.890 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.423 7.714 -0.561 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.143 10.917 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.819 9.190 -2.041 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.247 9.686 -1.102 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.560 6.102 2.532 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.719 6.381 3.422 1.00 0.00 C ATOM 1290 C LYS A 87 -5.308 6.044 4.881 1.00 0.00 C ATOM 1291 O LYS A 87 -5.318 4.875 5.286 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.973 5.554 3.021 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.901 6.215 1.975 1.00 0.00 C ATOM 1294 CD LYS A 87 -9.316 6.563 2.483 1.00 0.00 C ATOM 1295 CE LYS A 87 -10.294 5.373 2.541 1.00 0.00 C ATOM 1296 NZ LYS A 87 -11.504 5.707 3.314 1.00 0.00 N ATOM 0 H LYS A 87 -4.795 5.525 1.724 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.986 7.434 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.642 4.592 2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.555 5.350 3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.426 7.128 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.993 5.546 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.232 6.995 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.740 7.332 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.576 5.082 1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.798 4.514 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.141 4.885 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.236 5.961 4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.990 6.511 2.868 1.00 0.00 H new