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 Set 1.1: A 70 SER OG : rot -111:sc= 0.705 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0.00658 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.051) 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 174:sc= -4.99! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0425 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 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.017) USER MOD Single : A 52 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.2) 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 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= -0.318 X(o=-0.32,f=-0.067) USER MOD Single : A 86 MET CE :methyl -175:sc= -2.9 (180deg=-2.95) USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00617) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -15.268 6.712 -10.011 1.00 0.00 N ATOM 56 CA ASP A 5 -14.807 7.299 -8.725 1.00 0.00 C ATOM 57 C ASP A 5 -13.473 6.625 -8.298 1.00 0.00 C ATOM 58 O ASP A 5 -12.657 7.239 -7.599 1.00 0.00 O ATOM 59 CB ASP A 5 -15.904 7.194 -7.625 1.00 0.00 C ATOM 60 CG ASP A 5 -17.357 7.107 -8.125 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.924 8.150 -8.519 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.934 5.997 -8.118 1.00 0.00 O ATOM 0 HA ASP A 5 -14.621 8.364 -8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.697 6.313 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.818 8.061 -6.970 1.00 0.00 H new ATOM 67 N GLN A 6 -13.283 5.354 -8.695 1.00 0.00 N ATOM 68 CA GLN A 6 -12.118 4.526 -8.282 1.00 0.00 C ATOM 69 C GLN A 6 -10.818 5.354 -8.474 1.00 0.00 C ATOM 70 O GLN A 6 -10.146 5.708 -7.497 1.00 0.00 O ATOM 71 CB GLN A 6 -12.095 3.193 -9.086 1.00 0.00 C ATOM 72 CG GLN A 6 -10.699 2.672 -9.505 1.00 0.00 C ATOM 73 CD GLN A 6 -10.639 1.160 -9.780 1.00 0.00 C ATOM 74 OE1 GLN A 6 -10.920 0.340 -8.907 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.276 0.758 -10.989 1.00 0.00 N ATOM 0 H GLN A 6 -13.930 4.864 -9.313 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.197 4.258 -7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.582 2.423 -8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.696 3.325 -9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.380 3.204 -10.401 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.984 2.914 -8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.045 1.445 -11.707 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.228 -0.238 -11.202 1.00 0.00 H new ATOM 84 N GLN A 7 -10.470 5.639 -9.742 1.00 0.00 N ATOM 85 CA GLN A 7 -9.194 6.313 -10.106 1.00 0.00 C ATOM 86 C GLN A 7 -9.394 7.851 -10.034 1.00 0.00 C ATOM 87 O GLN A 7 -8.455 8.593 -9.720 1.00 0.00 O ATOM 88 CB GLN A 7 -8.728 5.910 -11.535 1.00 0.00 C ATOM 89 CG GLN A 7 -8.820 4.406 -11.881 1.00 0.00 C ATOM 90 CD GLN A 7 -9.644 4.143 -13.153 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.257 3.351 -14.012 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.785 4.799 -13.306 1.00 0.00 N ATOM 0 H GLN A 7 -11.057 5.413 -10.545 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.423 6.000 -9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.323 6.466 -12.260 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.693 6.228 -11.661 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.815 4.005 -12.014 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.269 3.871 -11.044 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.097 5.453 -12.589 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.351 4.650 -14.141 1.00 0.00 H new ATOM 101 N ALA A 8 -10.620 8.318 -10.338 1.00 0.00 N ATOM 102 CA ALA A 8 -10.964 9.765 -10.325 1.00 0.00 C ATOM 103 C ALA A 8 -10.508 10.417 -8.990 1.00 0.00 C ATOM 104 O ALA A 8 -10.093 11.582 -8.968 1.00 0.00 O ATOM 105 CB ALA A 8 -12.480 9.924 -10.551 1.00 0.00 C ATOM 0 H ALA A 8 -11.399 7.713 -10.599 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.439 10.280 -11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.740 10.982 -10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.752 9.491 -11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.022 9.411 -9.757 1.00 0.00 H new ATOM 111 N GLU A 9 -10.603 9.651 -7.888 1.00 0.00 N ATOM 112 CA GLU A 9 -10.301 10.147 -6.519 1.00 0.00 C ATOM 113 C GLU A 9 -8.765 10.315 -6.363 1.00 0.00 C ATOM 114 O GLU A 9 -8.293 11.276 -5.743 1.00 0.00 O ATOM 115 CB GLU A 9 -10.891 9.212 -5.423 1.00 0.00 C ATOM 116 CG GLU A 9 -10.016 8.009 -4.998 1.00 0.00 C ATOM 117 CD GLU A 9 -10.408 7.434 -3.635 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.922 8.191 -2.782 1.00 0.00 O ATOM 119 OE2 GLU A 9 -10.208 6.219 -3.411 1.00 0.00 O ATOM 0 H GLU A 9 -10.890 8.673 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.779 11.117 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.098 9.813 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.847 8.829 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.094 7.226 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.972 8.320 -4.968 1.00 0.00 H new ATOM 126 N ALA A 10 -7.999 9.353 -6.909 1.00 0.00 N ATOM 127 CA ALA A 10 -6.516 9.329 -6.796 1.00 0.00 C ATOM 128 C ALA A 10 -5.881 10.471 -7.637 1.00 0.00 C ATOM 129 O ALA A 10 -4.761 10.911 -7.348 1.00 0.00 O ATOM 130 CB ALA A 10 -6.003 7.943 -7.237 1.00 0.00 C ATOM 0 H ALA A 10 -8.381 8.571 -7.440 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.223 9.498 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.916 7.915 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.433 7.175 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.296 7.758 -8.270 1.00 0.00 H new ATOM 136 N ARG A 11 -6.593 10.916 -8.688 1.00 0.00 N ATOM 137 CA ARG A 11 -6.084 11.921 -9.660 1.00 0.00 C ATOM 138 C ARG A 11 -6.099 13.312 -8.968 1.00 0.00 C ATOM 139 O ARG A 11 -5.169 14.110 -9.135 1.00 0.00 O ATOM 140 CB ARG A 11 -6.950 11.919 -10.951 1.00 0.00 C ATOM 141 CG ARG A 11 -6.673 13.080 -11.935 1.00 0.00 C ATOM 142 CD ARG A 11 -7.902 13.441 -12.790 1.00 0.00 C ATOM 143 NE ARG A 11 -8.053 12.529 -13.952 1.00 0.00 N ATOM 144 CZ ARG A 11 -9.218 12.279 -14.583 1.00 0.00 C ATOM 145 NH1 ARG A 11 -10.170 13.199 -14.653 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.438 11.114 -15.177 1.00 0.00 N ATOM 0 H ARG A 11 -7.539 10.594 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.065 11.676 -9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.791 10.976 -11.474 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.001 11.951 -10.664 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.355 13.959 -11.374 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.847 12.805 -12.591 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.800 13.396 -12.173 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.810 14.468 -13.144 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.216 12.058 -14.297 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.027 14.114 -14.225 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.045 12.992 -15.135 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.720 10.390 -15.161 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.325 10.942 -15.650 1.00 0.00 H new ATOM 160 N ALA A 12 -7.181 13.594 -8.220 1.00 0.00 N ATOM 161 CA ALA A 12 -7.389 14.906 -7.551 1.00 0.00 C ATOM 162 C ALA A 12 -6.456 15.024 -6.315 1.00 0.00 C ATOM 163 O ALA A 12 -6.032 16.126 -5.946 1.00 0.00 O ATOM 164 CB ALA A 12 -8.875 15.050 -7.168 1.00 0.00 C ATOM 0 H ALA A 12 -7.936 12.928 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.134 15.720 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.033 16.010 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.489 14.997 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.155 14.245 -6.489 1.00 0.00 H new ATOM 170 N PHE A 13 -6.155 13.875 -5.681 1.00 0.00 N ATOM 171 CA PHE A 13 -5.285 13.816 -4.477 1.00 0.00 C ATOM 172 C PHE A 13 -3.810 14.073 -4.889 1.00 0.00 C ATOM 173 O PHE A 13 -3.078 14.798 -4.205 1.00 0.00 O ATOM 174 CB PHE A 13 -5.493 12.447 -3.768 1.00 0.00 C ATOM 175 CG PHE A 13 -4.854 12.327 -2.370 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.001 13.330 -1.894 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.107 11.206 -1.569 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.404 13.209 -0.641 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.508 11.088 -0.317 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.655 12.088 0.145 1.00 0.00 C ATOM 0 H PHE A 13 -6.502 12.964 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.551 14.595 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.563 12.262 -3.678 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.086 11.661 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.805 14.202 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.769 10.430 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.746 13.985 -0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.705 10.221 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.188 11.993 1.114 1.00 0.00 H new ATOM 190 N LEU A 14 -3.394 13.463 -6.015 1.00 0.00 N ATOM 191 CA LEU A 14 -1.999 13.544 -6.521 1.00 0.00 C ATOM 192 C LEU A 14 -1.946 14.656 -7.604 1.00 0.00 C ATOM 193 O LEU A 14 -2.523 14.509 -8.688 1.00 0.00 O ATOM 194 CB LEU A 14 -1.528 12.167 -7.081 1.00 0.00 C ATOM 195 CG LEU A 14 -1.860 10.899 -6.242 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.977 9.651 -7.140 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.830 10.644 -5.122 1.00 0.00 C ATOM 0 H LEU A 14 -4.009 12.900 -6.603 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.316 13.795 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.965 12.039 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.447 12.209 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.823 11.090 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.209 8.781 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.771 9.802 -7.871 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.033 9.487 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.109 9.748 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.158 10.506 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.810 11.498 -4.445 1.00 0.00 H new ATOM 209 N SER A 15 -1.229 15.753 -7.296 1.00 0.00 N ATOM 210 CA SER A 15 -1.064 16.903 -8.224 1.00 0.00 C ATOM 211 C SER A 15 -0.087 16.520 -9.368 1.00 0.00 C ATOM 212 O SER A 15 0.193 15.336 -9.592 1.00 0.00 O ATOM 213 CB SER A 15 -0.585 18.140 -7.431 1.00 0.00 C ATOM 214 OG SER A 15 -1.155 18.174 -6.126 1.00 0.00 O ATOM 0 H SER A 15 -0.748 15.873 -6.405 1.00 0.00 H new ATOM 0 HA SER A 15 -2.019 17.156 -8.685 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.502 18.126 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.855 19.047 -7.971 1.00 0.00 H new ATOM 0 HG SER A 15 -0.832 18.966 -5.648 1.00 0.00 H new ATOM 220 N GLU A 16 0.415 17.539 -10.090 1.00 0.00 N ATOM 221 CA GLU A 16 1.355 17.347 -11.228 1.00 0.00 C ATOM 222 C GLU A 16 2.785 17.123 -10.664 1.00 0.00 C ATOM 223 O GLU A 16 3.579 16.378 -11.252 1.00 0.00 O ATOM 224 CB GLU A 16 1.255 18.545 -12.215 1.00 0.00 C ATOM 225 CG GLU A 16 2.151 18.477 -13.475 1.00 0.00 C ATOM 226 CD GLU A 16 2.179 19.771 -14.295 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.322 19.939 -15.191 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.062 20.624 -14.050 1.00 0.00 O ATOM 0 H GLU A 16 0.187 18.516 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 16 1.091 16.461 -11.806 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.218 18.635 -12.538 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.500 19.457 -11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.168 18.230 -13.171 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.803 17.664 -14.112 1.00 0.00 H new ATOM 235 N GLU A 17 3.099 17.802 -9.540 1.00 0.00 N ATOM 236 CA GLU A 17 4.463 17.777 -8.942 1.00 0.00 C ATOM 237 C GLU A 17 4.687 16.379 -8.305 1.00 0.00 C ATOM 238 O GLU A 17 5.790 15.823 -8.375 1.00 0.00 O ATOM 239 CB GLU A 17 4.662 18.953 -7.941 1.00 0.00 C ATOM 240 CG GLU A 17 6.059 19.618 -7.924 1.00 0.00 C ATOM 241 CD GLU A 17 6.213 20.778 -8.912 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.872 21.927 -8.554 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.673 20.545 -10.052 1.00 0.00 O ATOM 0 H GLU A 17 2.431 18.375 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 17 5.222 17.928 -9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.922 19.721 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.447 18.586 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.263 19.983 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.812 18.862 -8.148 1.00 0.00 H new ATOM 250 N MET A 18 3.619 15.812 -7.713 1.00 0.00 N ATOM 251 CA MET A 18 3.683 14.511 -6.996 1.00 0.00 C ATOM 252 C MET A 18 3.657 13.380 -8.061 1.00 0.00 C ATOM 253 O MET A 18 4.289 12.332 -7.882 1.00 0.00 O ATOM 254 CB MET A 18 2.533 14.373 -5.961 1.00 0.00 C ATOM 255 CG MET A 18 2.541 15.395 -4.807 1.00 0.00 C ATOM 256 SD MET A 18 0.919 15.449 -4.015 1.00 0.00 S ATOM 257 CE MET A 18 1.117 14.208 -2.719 1.00 0.00 C ATOM 0 H MET A 18 2.691 16.234 -7.714 1.00 0.00 H new ATOM 0 HA MET A 18 4.605 14.444 -6.418 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.583 14.457 -6.489 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.573 13.371 -5.534 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.303 15.124 -4.076 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.802 16.383 -5.187 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.193 14.130 -2.146 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.346 13.243 -3.171 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.932 14.500 -2.057 1.00 0.00 H new ATOM 267 N ILE A 19 2.897 13.601 -9.150 1.00 0.00 N ATOM 268 CA ILE A 19 2.718 12.603 -10.239 1.00 0.00 C ATOM 269 C ILE A 19 4.110 12.422 -10.902 1.00 0.00 C ATOM 270 O ILE A 19 4.446 11.325 -11.366 1.00 0.00 O ATOM 271 CB ILE A 19 1.561 13.010 -11.227 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.141 12.732 -10.641 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.703 12.336 -12.619 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.022 13.472 -11.322 1.00 0.00 C ATOM 0 H ILE A 19 2.388 14.471 -9.306 1.00 0.00 H new ATOM 0 HA ILE A 19 2.383 11.639 -9.856 1.00 0.00 H new ATOM 0 HB ILE A 19 1.664 14.087 -11.359 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.052 11.661 -10.699 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.147 12.998 -9.584 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.880 12.650 -13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.650 12.631 -13.071 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.679 11.252 -12.503 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.959 13.204 -10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.866 14.548 -11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.067 13.189 -12.374 1.00 0.00 H new ATOM 286 N ALA A 20 4.897 13.513 -10.973 1.00 0.00 N ATOM 287 CA ALA A 20 6.230 13.513 -11.634 1.00 0.00 C ATOM 288 C ALA A 20 7.203 12.564 -10.882 1.00 0.00 C ATOM 289 O ALA A 20 8.083 11.948 -11.494 1.00 0.00 O ATOM 290 CB ALA A 20 6.763 14.958 -11.687 1.00 0.00 C ATOM 0 H ALA A 20 4.635 14.417 -10.579 1.00 0.00 H new ATOM 0 HA ALA A 20 6.143 13.140 -12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.740 14.968 -12.170 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.071 15.580 -12.255 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.855 15.349 -10.674 1.00 0.00 H new ATOM 296 N GLU A 21 7.047 12.484 -9.548 1.00 0.00 N ATOM 297 CA GLU A 21 7.943 11.684 -8.671 1.00 0.00 C ATOM 298 C GLU A 21 7.857 10.196 -9.109 1.00 0.00 C ATOM 299 O GLU A 21 8.840 9.451 -9.022 1.00 0.00 O ATOM 300 CB GLU A 21 7.581 11.916 -7.176 1.00 0.00 C ATOM 301 CG GLU A 21 8.006 13.272 -6.565 1.00 0.00 C ATOM 302 CD GLU A 21 7.926 13.324 -5.036 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.038 12.662 -4.454 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.747 14.031 -4.411 1.00 0.00 O ATOM 0 H GLU A 21 6.303 12.966 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 21 8.981 12.000 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.501 11.816 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.036 11.119 -6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.029 13.492 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.374 14.058 -6.978 1.00 0.00 H new ATOM 311 N PHE A 22 6.658 9.774 -9.550 1.00 0.00 N ATOM 312 CA PHE A 22 6.378 8.370 -9.950 1.00 0.00 C ATOM 313 C PHE A 22 6.672 8.202 -11.466 1.00 0.00 C ATOM 314 O PHE A 22 6.939 7.082 -11.926 1.00 0.00 O ATOM 315 CB PHE A 22 4.910 7.985 -9.587 1.00 0.00 C ATOM 316 CG PHE A 22 4.545 8.144 -8.096 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.258 7.443 -7.115 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.516 9.009 -7.707 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.983 7.650 -5.765 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.241 9.212 -6.356 1.00 0.00 C ATOM 321 CZ PHE A 22 3.993 8.554 -5.387 1.00 0.00 C ATOM 0 H PHE A 22 5.851 10.392 -9.642 1.00 0.00 H new ATOM 0 HA PHE A 22 7.029 7.689 -9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.232 8.599 -10.179 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.739 6.949 -9.879 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.024 6.739 -7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.932 9.522 -8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.537 7.110 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.445 9.879 -6.061 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.809 8.745 -4.340 1.00 0.00 H new ATOM 331 N LYS A 23 6.626 9.310 -12.229 1.00 0.00 N ATOM 332 CA LYS A 23 6.834 9.304 -13.703 1.00 0.00 C ATOM 333 C LYS A 23 8.151 8.538 -14.000 1.00 0.00 C ATOM 334 O LYS A 23 8.195 7.675 -14.884 1.00 0.00 O ATOM 335 CB LYS A 23 6.889 10.753 -14.273 1.00 0.00 C ATOM 336 CG LYS A 23 5.700 11.215 -15.150 1.00 0.00 C ATOM 337 CD LYS A 23 6.096 11.997 -16.420 1.00 0.00 C ATOM 338 CE LYS A 23 6.757 13.350 -16.105 1.00 0.00 C ATOM 339 NZ LYS A 23 6.732 14.249 -17.272 1.00 0.00 N ATOM 0 H LYS A 23 6.444 10.239 -11.848 1.00 0.00 H new ATOM 0 HA LYS A 23 5.995 8.807 -14.191 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.977 11.443 -13.434 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.801 10.850 -14.862 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.123 10.339 -15.445 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.043 11.840 -14.546 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.781 11.393 -17.014 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.208 12.165 -17.030 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.240 13.823 -15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.788 13.188 -15.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.186 15.152 -17.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.246 13.808 -18.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.747 14.423 -17.555 1.00 0.00 H new ATOM 353 N ALA A 24 9.225 8.890 -13.269 1.00 0.00 N ATOM 354 CA ALA A 24 10.584 8.332 -13.503 1.00 0.00 C ATOM 355 C ALA A 24 10.574 6.797 -13.268 1.00 0.00 C ATOM 356 O ALA A 24 11.003 6.018 -14.128 1.00 0.00 O ATOM 357 CB ALA A 24 11.590 9.049 -12.581 1.00 0.00 C ATOM 0 H ALA A 24 9.184 9.563 -12.504 1.00 0.00 H new ATOM 0 HA ALA A 24 10.889 8.501 -14.536 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.588 8.645 -12.748 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.589 10.116 -12.802 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.305 8.894 -11.541 1.00 0.00 H new ATOM 363 N ALA A 25 10.105 6.381 -12.077 1.00 0.00 N ATOM 364 CA ALA A 25 10.079 4.954 -11.666 1.00 0.00 C ATOM 365 C ALA A 25 8.975 4.164 -12.423 1.00 0.00 C ATOM 366 O ALA A 25 8.910 2.931 -12.299 1.00 0.00 O ATOM 367 CB ALA A 25 9.877 4.882 -10.136 1.00 0.00 C ATOM 0 H ALA A 25 9.734 7.017 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 25 11.028 4.486 -11.927 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.856 3.839 -9.820 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.698 5.396 -9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.934 5.360 -9.871 1.00 0.00 H new ATOM 373 N PHE A 26 8.120 4.862 -13.191 1.00 0.00 N ATOM 374 CA PHE A 26 6.953 4.246 -13.879 1.00 0.00 C ATOM 375 C PHE A 26 7.473 3.489 -15.132 1.00 0.00 C ATOM 376 O PHE A 26 7.110 2.332 -15.367 1.00 0.00 O ATOM 377 CB PHE A 26 5.885 5.320 -14.244 1.00 0.00 C ATOM 378 CG PHE A 26 4.741 4.823 -15.155 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.939 3.747 -14.755 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.509 5.426 -16.397 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.906 3.298 -15.574 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.475 4.975 -17.213 1.00 0.00 C ATOM 383 CZ PHE A 26 2.685 3.901 -16.809 1.00 0.00 C ATOM 0 H PHE A 26 8.211 5.864 -13.357 1.00 0.00 H new ATOM 0 HA PHE A 26 6.456 3.539 -13.215 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.452 5.707 -13.322 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.385 6.154 -14.737 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.122 3.263 -13.807 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.134 6.244 -16.723 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.276 2.482 -15.251 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.285 5.458 -18.160 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.900 3.536 -17.455 1.00 0.00 H new ATOM 393 N ASP A 27 8.303 4.175 -15.940 1.00 0.00 N ATOM 394 CA ASP A 27 8.864 3.609 -17.195 1.00 0.00 C ATOM 395 C ASP A 27 9.825 2.444 -16.830 1.00 0.00 C ATOM 396 O ASP A 27 9.873 1.426 -17.530 1.00 0.00 O ATOM 397 CB ASP A 27 9.552 4.703 -18.063 1.00 0.00 C ATOM 398 CG ASP A 27 8.632 5.804 -18.618 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.560 6.053 -18.023 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.978 6.419 -19.650 1.00 0.00 O ATOM 0 H ASP A 27 8.606 5.130 -15.749 1.00 0.00 H new ATOM 0 HA ASP A 27 8.056 3.215 -17.812 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.331 5.176 -17.465 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.047 4.214 -18.902 1.00 0.00 H new ATOM 405 N MET A 28 10.583 2.614 -15.728 1.00 0.00 N ATOM 406 CA MET A 28 11.471 1.550 -15.185 1.00 0.00 C ATOM 407 C MET A 28 10.647 0.234 -15.126 1.00 0.00 C ATOM 408 O MET A 28 11.066 -0.797 -15.664 1.00 0.00 O ATOM 409 CB MET A 28 12.058 1.935 -13.797 1.00 0.00 C ATOM 410 CG MET A 28 12.596 0.769 -12.946 1.00 0.00 C ATOM 411 SD MET A 28 13.876 1.363 -11.819 1.00 0.00 S ATOM 412 CE MET A 28 13.372 0.583 -10.270 1.00 0.00 C ATOM 0 H MET A 28 10.602 3.480 -15.190 1.00 0.00 H new ATOM 0 HA MET A 28 12.335 1.417 -15.837 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.867 2.649 -13.952 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.284 2.448 -13.227 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.782 0.317 -12.379 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.003 -0.007 -13.594 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.070 0.859 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.370 0.919 -10.003 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.371 -0.500 -10.392 1.00 0.00 H new ATOM 422 N PHE A 29 9.489 0.284 -14.438 1.00 0.00 N ATOM 423 CA PHE A 29 8.644 -0.917 -14.197 1.00 0.00 C ATOM 424 C PHE A 29 8.275 -1.549 -15.567 1.00 0.00 C ATOM 425 O PHE A 29 8.493 -2.747 -15.789 1.00 0.00 O ATOM 426 CB PHE A 29 7.377 -0.551 -13.366 1.00 0.00 C ATOM 427 CG PHE A 29 6.898 -1.633 -12.379 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.384 -1.657 -11.066 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.961 -2.594 -12.779 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.900 -2.593 -10.155 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.479 -3.528 -11.865 1.00 0.00 C ATOM 432 CZ PHE A 29 5.932 -3.513 -10.549 1.00 0.00 C ATOM 0 H PHE A 29 9.111 1.142 -14.036 1.00 0.00 H new ATOM 0 HA PHE A 29 9.199 -1.648 -13.609 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.582 0.362 -12.807 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.563 -0.327 -14.056 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.137 -0.947 -10.758 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.611 -2.611 -13.800 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.276 -2.605 -9.143 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.753 -4.264 -12.178 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.532 -4.216 -9.833 1.00 0.00 H new ATOM 442 N ASP A 30 7.698 -0.732 -16.467 1.00 0.00 N ATOM 443 CA ASP A 30 7.178 -1.201 -17.779 1.00 0.00 C ATOM 444 C ASP A 30 8.345 -1.822 -18.595 1.00 0.00 C ATOM 445 O ASP A 30 8.452 -3.050 -18.703 1.00 0.00 O ATOM 446 CB ASP A 30 6.453 -0.059 -18.550 1.00 0.00 C ATOM 447 CG ASP A 30 5.805 -0.454 -19.888 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.276 -1.583 -19.995 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.830 0.361 -20.836 1.00 0.00 O ATOM 0 H ASP A 30 7.576 0.269 -16.313 1.00 0.00 H new ATOM 0 HA ASP A 30 6.424 -1.971 -17.615 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.680 0.355 -17.903 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.172 0.738 -18.739 1.00 0.00 H new ATOM 454 N ALA A 31 9.188 -0.957 -19.187 1.00 0.00 N ATOM 455 CA ALA A 31 10.355 -1.382 -20.007 1.00 0.00 C ATOM 456 C ALA A 31 9.889 -1.805 -21.429 1.00 0.00 C ATOM 457 O ALA A 31 10.553 -2.604 -22.099 1.00 0.00 O ATOM 458 CB ALA A 31 11.098 -2.525 -19.286 1.00 0.00 C ATOM 0 H ALA A 31 9.087 0.055 -19.116 1.00 0.00 H new ATOM 0 HA ALA A 31 11.046 -0.547 -20.126 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.953 -2.838 -19.885 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.444 -2.177 -18.313 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.422 -3.369 -19.150 1.00 0.00 H new ATOM 464 N ASP A 32 8.757 -1.232 -21.876 1.00 0.00 N ATOM 465 CA ASP A 32 8.183 -1.494 -23.223 1.00 0.00 C ATOM 466 C ASP A 32 7.776 -0.139 -23.863 1.00 0.00 C ATOM 467 O ASP A 32 6.771 -0.054 -24.580 1.00 0.00 O ATOM 468 CB ASP A 32 7.000 -2.504 -23.156 1.00 0.00 C ATOM 469 CG ASP A 32 6.330 -2.852 -24.496 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.022 -2.841 -25.539 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.111 -3.134 -24.509 1.00 0.00 O ATOM 0 H ASP A 32 8.210 -0.574 -21.320 1.00 0.00 H new ATOM 0 HA ASP A 32 8.934 -1.966 -23.856 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.362 -3.427 -22.704 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.240 -2.099 -22.488 1.00 0.00 H new ATOM 476 N GLY A 33 8.581 0.911 -23.609 1.00 0.00 N ATOM 477 CA GLY A 33 8.369 2.254 -24.211 1.00 0.00 C ATOM 478 C GLY A 33 7.822 3.268 -23.172 1.00 0.00 C ATOM 479 O GLY A 33 8.265 4.421 -23.111 1.00 0.00 O ATOM 0 H GLY A 33 9.389 0.860 -22.989 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.310 2.623 -24.619 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.670 2.173 -25.044 1.00 0.00 H new ATOM 483 N GLY A 34 6.871 2.809 -22.333 1.00 0.00 N ATOM 484 CA GLY A 34 6.309 3.629 -21.231 1.00 0.00 C ATOM 485 C GLY A 34 4.890 4.130 -21.605 1.00 0.00 C ATOM 486 O GLY A 34 4.674 5.325 -21.838 1.00 0.00 O ATOM 0 H GLY A 34 6.473 1.872 -22.395 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.265 3.039 -20.315 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.962 4.479 -21.031 1.00 0.00 H new ATOM 490 N GLY A 35 3.919 3.195 -21.632 1.00 0.00 N ATOM 491 CA GLY A 35 2.515 3.504 -22.004 1.00 0.00 C ATOM 492 C GLY A 35 1.535 2.675 -21.134 1.00 0.00 C ATOM 493 O GLY A 35 0.540 3.206 -20.624 1.00 0.00 O ATOM 0 H GLY A 35 4.078 2.214 -21.400 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.321 4.568 -21.869 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.353 3.282 -23.059 1.00 0.00 H new ATOM 497 N ASP A 36 1.848 1.377 -20.958 1.00 0.00 N ATOM 498 CA ASP A 36 1.026 0.439 -20.150 1.00 0.00 C ATOM 499 C ASP A 36 1.874 -0.825 -19.839 1.00 0.00 C ATOM 500 O ASP A 36 2.582 -1.338 -20.714 1.00 0.00 O ATOM 501 CB ASP A 36 -0.319 0.099 -20.855 1.00 0.00 C ATOM 502 CG ASP A 36 -0.263 -0.046 -22.385 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.155 0.914 -23.070 1.00 0.00 O ATOM 504 OD2 ASP A 36 -0.644 -1.118 -22.905 1.00 0.00 O ATOM 0 H ASP A 36 2.675 0.944 -21.369 1.00 0.00 H new ATOM 0 HA ASP A 36 0.749 0.913 -19.208 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.700 -0.832 -20.436 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.041 0.878 -20.610 1.00 0.00 H new ATOM 509 N ILE A 37 1.812 -1.293 -18.577 1.00 0.00 N ATOM 510 CA ILE A 37 2.563 -2.488 -18.106 1.00 0.00 C ATOM 511 C ILE A 37 1.710 -3.760 -18.363 1.00 0.00 C ATOM 512 O ILE A 37 0.659 -3.696 -19.014 1.00 0.00 O ATOM 513 CB ILE A 37 3.062 -2.383 -16.616 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.881 -0.983 -15.948 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.516 -2.901 -16.475 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.956 -0.586 -14.924 1.00 0.00 C ATOM 0 H ILE A 37 1.242 -0.858 -17.851 1.00 0.00 H new ATOM 0 HA ILE A 37 3.484 -2.551 -18.686 1.00 0.00 H new ATOM 0 HB ILE A 37 2.396 -3.036 -16.053 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.857 -0.227 -16.733 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.910 -0.960 -15.454 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.833 -2.816 -15.436 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.562 -3.945 -16.784 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.177 -2.306 -17.106 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.731 0.403 -14.525 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.969 -1.312 -14.111 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.932 -0.567 -15.410 1.00 0.00 H new ATOM 528 N SER A 38 2.159 -4.908 -17.821 1.00 0.00 N ATOM 529 CA SER A 38 1.421 -6.196 -17.924 1.00 0.00 C ATOM 530 C SER A 38 1.743 -7.085 -16.692 1.00 0.00 C ATOM 531 O SER A 38 2.253 -6.597 -15.677 1.00 0.00 O ATOM 532 CB SER A 38 1.778 -6.888 -19.260 1.00 0.00 C ATOM 533 OG SER A 38 3.004 -7.606 -19.163 1.00 0.00 O ATOM 0 H SER A 38 3.035 -4.977 -17.303 1.00 0.00 H new ATOM 0 HA SER A 38 0.346 -6.018 -17.922 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.977 -7.570 -19.543 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.854 -6.140 -20.050 1.00 0.00 H new ATOM 0 HG SER A 38 3.154 -8.111 -19.990 1.00 0.00 H new ATOM 539 N THR A 39 1.408 -8.385 -16.795 1.00 0.00 N ATOM 540 CA THR A 39 1.642 -9.380 -15.716 1.00 0.00 C ATOM 541 C THR A 39 3.095 -9.914 -15.833 1.00 0.00 C ATOM 542 O THR A 39 3.788 -10.086 -14.822 1.00 0.00 O ATOM 543 CB THR A 39 0.577 -10.523 -15.729 1.00 0.00 C ATOM 544 OG1 THR A 39 0.115 -10.763 -17.056 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.654 -10.287 -14.834 1.00 0.00 C ATOM 0 H THR A 39 0.968 -8.781 -17.625 1.00 0.00 H new ATOM 0 HA THR A 39 1.526 -8.894 -14.747 1.00 0.00 H new ATOM 0 HB THR A 39 1.107 -11.383 -15.319 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.550 -11.483 -17.046 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.331 -11.137 -14.915 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.334 -10.175 -13.798 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.169 -9.382 -15.155 1.00 0.00 H new ATOM 553 N LYS A 40 3.545 -10.171 -17.076 1.00 0.00 N ATOM 554 CA LYS A 40 4.914 -10.685 -17.352 1.00 0.00 C ATOM 555 C LYS A 40 5.938 -9.562 -17.036 1.00 0.00 C ATOM 556 O LYS A 40 6.820 -9.730 -16.186 1.00 0.00 O ATOM 557 CB LYS A 40 4.982 -11.203 -18.818 1.00 0.00 C ATOM 558 CG LYS A 40 5.984 -12.351 -19.103 1.00 0.00 C ATOM 559 CD LYS A 40 5.873 -13.125 -20.439 1.00 0.00 C ATOM 560 CE LYS A 40 6.680 -12.570 -21.632 1.00 0.00 C ATOM 561 NZ LYS A 40 7.463 -13.594 -22.348 1.00 0.00 N ATOM 0 H LYS A 40 2.981 -10.032 -17.915 1.00 0.00 H new ATOM 0 HA LYS A 40 5.164 -11.533 -16.715 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.986 -11.540 -19.107 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.234 -10.363 -19.465 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.989 -11.933 -19.047 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.894 -13.076 -18.294 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.189 -14.153 -20.264 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.822 -13.159 -20.726 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.994 -12.094 -22.333 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.356 -11.795 -21.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.978 -13.150 -23.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.142 -14.032 -21.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.822 -14.323 -22.721 1.00 0.00 H new ATOM 575 N GLU A 41 5.816 -8.427 -17.748 1.00 0.00 N ATOM 576 CA GLU A 41 6.755 -7.281 -17.621 1.00 0.00 C ATOM 577 C GLU A 41 6.927 -6.933 -16.117 1.00 0.00 C ATOM 578 O GLU A 41 8.031 -6.604 -15.667 1.00 0.00 O ATOM 579 CB GLU A 41 6.279 -6.066 -18.469 1.00 0.00 C ATOM 580 CG GLU A 41 5.473 -6.358 -19.759 1.00 0.00 C ATOM 581 CD GLU A 41 5.115 -5.110 -20.572 1.00 0.00 C ATOM 582 OE1 GLU A 41 6.035 -4.356 -20.960 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.913 -4.881 -20.829 1.00 0.00 O ATOM 0 H GLU A 41 5.070 -8.272 -18.426 1.00 0.00 H new ATOM 0 HA GLU A 41 7.731 -7.557 -18.020 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.668 -5.430 -17.829 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.159 -5.487 -18.748 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.050 -7.035 -20.389 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.554 -6.878 -19.490 1.00 0.00 H new ATOM 590 N LEU A 42 5.823 -7.027 -15.353 1.00 0.00 N ATOM 591 CA LEU A 42 5.797 -6.654 -13.914 1.00 0.00 C ATOM 592 C LEU A 42 6.665 -7.680 -13.137 1.00 0.00 C ATOM 593 O LEU A 42 7.496 -7.308 -12.301 1.00 0.00 O ATOM 594 CB LEU A 42 4.334 -6.609 -13.378 1.00 0.00 C ATOM 595 CG LEU A 42 4.100 -7.007 -11.891 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.195 -6.421 -10.977 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.708 -6.585 -11.378 1.00 0.00 C ATOM 0 H LEU A 42 4.926 -7.361 -15.706 1.00 0.00 H new ATOM 0 HA LEU A 42 6.207 -5.654 -13.774 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.955 -5.597 -13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.727 -7.266 -14.001 1.00 0.00 H new ATOM 0 HG LEU A 42 4.150 -8.095 -11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.004 -6.716 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.169 -6.798 -11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.187 -5.334 -11.051 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.597 -6.887 -10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.604 -5.503 -11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.937 -7.067 -11.979 1.00 0.00 H new ATOM 609 N GLY A 43 6.456 -8.979 -13.429 1.00 0.00 N ATOM 610 CA GLY A 43 7.123 -10.089 -12.703 1.00 0.00 C ATOM 611 C GLY A 43 8.652 -9.844 -12.619 1.00 0.00 C ATOM 612 O GLY A 43 9.303 -10.252 -11.647 1.00 0.00 O ATOM 0 H GLY A 43 5.826 -9.291 -14.168 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.707 -10.176 -11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.928 -11.033 -13.212 1.00 0.00 H new ATOM 616 N THR A 44 9.207 -9.177 -13.648 1.00 0.00 N ATOM 617 CA THR A 44 10.671 -8.955 -13.778 1.00 0.00 C ATOM 618 C THR A 44 11.156 -8.096 -12.577 1.00 0.00 C ATOM 619 O THR A 44 12.011 -8.527 -11.794 1.00 0.00 O ATOM 620 CB THR A 44 11.049 -8.330 -15.157 1.00 0.00 C ATOM 621 OG1 THR A 44 10.484 -9.087 -16.225 1.00 0.00 O ATOM 622 CG2 THR A 44 12.560 -8.190 -15.422 1.00 0.00 C ATOM 0 H THR A 44 8.662 -8.776 -14.412 1.00 0.00 H new ATOM 0 HA THR A 44 11.186 -9.916 -13.750 1.00 0.00 H new ATOM 0 HB THR A 44 10.638 -7.321 -15.112 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.730 -8.679 -17.081 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.717 -7.746 -16.405 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.005 -7.551 -14.660 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.028 -9.174 -15.389 1.00 0.00 H new ATOM 630 N VAL A 45 10.609 -6.870 -12.465 1.00 0.00 N ATOM 631 CA VAL A 45 11.032 -5.873 -11.445 1.00 0.00 C ATOM 632 C VAL A 45 10.830 -6.521 -10.048 1.00 0.00 C ATOM 633 O VAL A 45 11.615 -6.278 -9.122 1.00 0.00 O ATOM 634 CB VAL A 45 10.290 -4.501 -11.620 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.728 -3.947 -10.288 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.150 -3.392 -12.277 1.00 0.00 C ATOM 0 H VAL A 45 9.862 -6.537 -13.075 1.00 0.00 H new ATOM 0 HA VAL A 45 12.085 -5.620 -11.567 1.00 0.00 H new ATOM 0 HB VAL A 45 9.471 -4.747 -12.295 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.226 -2.997 -10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.016 -4.659 -9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.546 -3.795 -9.583 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.563 -2.478 -12.361 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.030 -3.203 -11.663 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.463 -3.715 -13.270 1.00 0.00 H new ATOM 646 N MET A 46 9.760 -7.324 -9.904 1.00 0.00 N ATOM 647 CA MET A 46 9.366 -7.931 -8.603 1.00 0.00 C ATOM 648 C MET A 46 10.507 -8.886 -8.157 1.00 0.00 C ATOM 649 O MET A 46 10.815 -8.988 -6.964 1.00 0.00 O ATOM 650 CB MET A 46 7.996 -8.657 -8.706 1.00 0.00 C ATOM 651 CG MET A 46 6.777 -7.867 -8.193 1.00 0.00 C ATOM 652 SD MET A 46 6.022 -8.730 -6.797 1.00 0.00 S ATOM 653 CE MET A 46 6.348 -7.574 -5.450 1.00 0.00 C ATOM 0 H MET A 46 9.142 -7.574 -10.676 1.00 0.00 H new ATOM 0 HA MET A 46 9.231 -7.154 -7.851 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.822 -8.918 -9.750 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.059 -9.592 -8.150 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.084 -6.866 -7.889 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.048 -7.747 -8.994 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.939 -7.972 -4.522 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.424 -7.435 -5.342 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.879 -6.616 -5.671 1.00 0.00 H new ATOM 663 N ARG A 47 11.101 -9.600 -9.131 1.00 0.00 N ATOM 664 CA ARG A 47 12.133 -10.639 -8.870 1.00 0.00 C ATOM 665 C ARG A 47 13.370 -9.980 -8.196 1.00 0.00 C ATOM 666 O ARG A 47 14.085 -10.634 -7.427 1.00 0.00 O ATOM 667 CB ARG A 47 12.529 -11.356 -10.191 1.00 0.00 C ATOM 668 CG ARG A 47 12.741 -12.882 -10.062 1.00 0.00 C ATOM 669 CD ARG A 47 13.728 -13.266 -8.942 1.00 0.00 C ATOM 670 NE ARG A 47 15.109 -13.463 -9.455 1.00 0.00 N ATOM 671 CZ ARG A 47 15.593 -14.623 -9.946 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.889 -15.750 -10.030 1.00 0.00 N ATOM 673 NH2 ARG A 47 16.843 -14.642 -10.370 1.00 0.00 N ATOM 0 H ARG A 47 10.885 -9.479 -10.120 1.00 0.00 H new ATOM 0 HA ARG A 47 11.727 -11.392 -8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.753 -11.173 -10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.447 -10.907 -10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.781 -13.361 -9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.109 -13.273 -11.011 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.733 -12.486 -8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.388 -14.182 -8.458 1.00 0.00 H new ATOM 0 HE ARG A 47 15.738 -12.661 -9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.920 -15.771 -9.712 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.319 -16.592 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.411 -13.796 -10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.241 -15.502 -10.747 1.00 0.00 H new ATOM 687 N MET A 48 13.622 -8.699 -8.524 1.00 0.00 N ATOM 688 CA MET A 48 14.807 -7.948 -8.026 1.00 0.00 C ATOM 689 C MET A 48 14.912 -8.164 -6.491 1.00 0.00 C ATOM 690 O MET A 48 16.016 -8.159 -5.931 1.00 0.00 O ATOM 691 CB MET A 48 14.734 -6.439 -8.398 1.00 0.00 C ATOM 692 CG MET A 48 14.068 -5.524 -7.353 1.00 0.00 C ATOM 693 SD MET A 48 15.300 -4.429 -6.613 1.00 0.00 S ATOM 694 CE MET A 48 15.050 -2.919 -7.570 1.00 0.00 C ATOM 0 H MET A 48 13.019 -8.151 -9.138 1.00 0.00 H new ATOM 0 HA MET A 48 15.708 -8.327 -8.508 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.747 -6.078 -8.576 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.191 -6.341 -9.338 1.00 0.00 H new ATOM 0 HG2 MET A 48 13.281 -4.934 -7.823 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.594 -6.127 -6.579 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.742 -2.151 -7.225 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.231 -3.123 -8.625 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.026 -2.570 -7.438 1.00 0.00 H new ATOM 704 N LEU A 49 13.754 -8.321 -5.823 1.00 0.00 N ATOM 705 CA LEU A 49 13.684 -8.529 -4.352 1.00 0.00 C ATOM 706 C LEU A 49 14.690 -9.650 -3.977 1.00 0.00 C ATOM 707 O LEU A 49 15.781 -9.383 -3.459 1.00 0.00 O ATOM 708 CB LEU A 49 12.232 -8.880 -3.907 1.00 0.00 C ATOM 709 CG LEU A 49 11.499 -7.861 -2.987 1.00 0.00 C ATOM 710 CD1 LEU A 49 11.807 -6.409 -3.405 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.973 -8.084 -2.956 1.00 0.00 C ATOM 0 H LEU A 49 12.841 -8.308 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 49 13.952 -7.612 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.629 -9.018 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.260 -9.840 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 49 11.880 -8.031 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.281 -5.721 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.880 -6.230 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.478 -6.248 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.511 -7.347 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.569 -7.977 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.759 -9.086 -2.584 1.00 0.00 H new ATOM 723 N GLY A 50 14.295 -10.915 -4.224 1.00 0.00 N ATOM 724 CA GLY A 50 15.146 -12.095 -3.930 1.00 0.00 C ATOM 725 C GLY A 50 14.263 -13.348 -3.694 1.00 0.00 C ATOM 726 O GLY A 50 14.086 -13.789 -2.551 1.00 0.00 O ATOM 0 H GLY A 50 13.389 -11.151 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.830 -12.274 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.757 -11.901 -3.049 1.00 0.00 H new ATOM 730 N GLN A 51 13.715 -13.907 -4.789 1.00 0.00 N ATOM 731 CA GLN A 51 12.757 -15.042 -4.740 1.00 0.00 C ATOM 732 C GLN A 51 12.788 -15.765 -6.115 1.00 0.00 C ATOM 733 O GLN A 51 13.708 -15.561 -6.916 1.00 0.00 O ATOM 734 CB GLN A 51 11.335 -14.532 -4.367 1.00 0.00 C ATOM 735 CG GLN A 51 10.791 -14.976 -2.987 1.00 0.00 C ATOM 736 CD GLN A 51 9.832 -13.971 -2.325 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.756 -14.333 -1.850 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.197 -12.699 -2.274 1.00 0.00 N ATOM 0 H GLN A 51 13.920 -13.589 -5.736 1.00 0.00 H new ATOM 0 HA GLN A 51 13.041 -15.756 -3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.342 -13.442 -4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.638 -14.868 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.275 -15.929 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.633 -15.150 -2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.091 -12.409 -2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.584 -12.010 -1.838 1.00 0.00 H new ATOM 747 N ASN A 52 11.761 -16.596 -6.377 1.00 0.00 N ATOM 748 CA ASN A 52 11.584 -17.277 -7.686 1.00 0.00 C ATOM 749 C ASN A 52 10.058 -17.354 -8.061 1.00 0.00 C ATOM 750 O ASN A 52 9.401 -18.317 -7.649 1.00 0.00 O ATOM 751 CB ASN A 52 12.250 -18.679 -7.619 1.00 0.00 C ATOM 752 CG ASN A 52 12.756 -19.220 -8.974 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.224 -18.467 -9.827 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.680 -20.525 -9.195 1.00 0.00 N ATOM 0 H ASN A 52 11.033 -16.817 -5.697 1.00 0.00 H new ATOM 0 HA ASN A 52 12.071 -16.708 -8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.089 -18.634 -6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.532 -19.388 -7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.011 -20.913 -10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.290 -21.141 -8.482 1.00 0.00 H new ATOM 761 N PRO A 53 9.449 -16.374 -8.799 1.00 0.00 N ATOM 762 CA PRO A 53 8.004 -16.379 -9.142 1.00 0.00 C ATOM 763 C PRO A 53 7.691 -17.301 -10.351 1.00 0.00 C ATOM 764 O PRO A 53 8.576 -17.999 -10.862 1.00 0.00 O ATOM 765 CB PRO A 53 7.735 -14.882 -9.403 1.00 0.00 C ATOM 766 CG PRO A 53 9.054 -14.312 -9.932 1.00 0.00 C ATOM 767 CD PRO A 53 10.138 -15.134 -9.240 1.00 0.00 C ATOM 0 HA PRO A 53 7.358 -16.790 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.932 -14.749 -10.128 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.427 -14.374 -8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.119 -14.405 -11.016 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.150 -13.252 -9.696 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.959 -15.358 -9.920 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.563 -14.595 -8.393 1.00 0.00 H new ATOM 775 N THR A 54 6.417 -17.307 -10.784 1.00 0.00 N ATOM 776 CA THR A 54 5.949 -18.130 -11.932 1.00 0.00 C ATOM 777 C THR A 54 4.860 -17.335 -12.704 1.00 0.00 C ATOM 778 O THR A 54 4.326 -16.341 -12.198 1.00 0.00 O ATOM 779 CB THR A 54 5.460 -19.542 -11.481 1.00 0.00 C ATOM 780 OG1 THR A 54 5.881 -20.540 -12.408 1.00 0.00 O ATOM 781 CG2 THR A 54 3.937 -19.681 -11.293 1.00 0.00 C ATOM 0 H THR A 54 5.680 -16.747 -10.355 1.00 0.00 H new ATOM 0 HA THR A 54 6.785 -18.321 -12.605 1.00 0.00 H new ATOM 0 HB THR A 54 5.916 -19.679 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.567 -21.418 -12.108 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.700 -20.698 -10.980 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.599 -18.978 -10.531 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.433 -19.465 -12.235 1.00 0.00 H new ATOM 789 N LYS A 55 4.567 -17.773 -13.943 1.00 0.00 N ATOM 790 CA LYS A 55 3.631 -17.065 -14.856 1.00 0.00 C ATOM 791 C LYS A 55 2.211 -17.123 -14.231 1.00 0.00 C ATOM 792 O LYS A 55 1.475 -16.129 -14.240 1.00 0.00 O ATOM 793 CB LYS A 55 3.685 -17.695 -16.281 1.00 0.00 C ATOM 794 CG LYS A 55 5.009 -17.546 -17.070 1.00 0.00 C ATOM 795 CD LYS A 55 5.389 -18.758 -17.952 1.00 0.00 C ATOM 796 CE LYS A 55 5.081 -20.133 -17.326 1.00 0.00 C ATOM 797 NZ LYS A 55 6.113 -21.149 -17.611 1.00 0.00 N ATOM 0 H LYS A 55 4.966 -18.622 -14.344 1.00 0.00 H new ATOM 0 HA LYS A 55 3.916 -16.020 -14.973 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.464 -18.758 -16.189 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.885 -17.254 -16.876 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.938 -16.663 -17.705 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.817 -17.365 -16.362 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.859 -18.679 -18.901 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.454 -18.707 -18.176 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.982 -20.019 -16.247 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.120 -20.487 -17.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.847 -22.049 -17.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.193 -21.284 -18.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.028 -20.831 -17.232 1.00 0.00 H new ATOM 811 N GLU A 56 1.844 -18.301 -13.693 1.00 0.00 N ATOM 812 CA GLU A 56 0.483 -18.559 -13.152 1.00 0.00 C ATOM 813 C GLU A 56 0.273 -17.661 -11.903 1.00 0.00 C ATOM 814 O GLU A 56 -0.793 -17.061 -11.727 1.00 0.00 O ATOM 815 CB GLU A 56 0.293 -20.077 -12.868 1.00 0.00 C ATOM 816 CG GLU A 56 -0.339 -20.919 -14.002 1.00 0.00 C ATOM 817 CD GLU A 56 -1.806 -21.290 -13.764 1.00 0.00 C ATOM 818 OE1 GLU A 56 -2.594 -20.412 -13.347 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.178 -22.463 -13.989 1.00 0.00 O ATOM 0 H GLU A 56 2.473 -19.100 -13.618 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.285 -18.298 -13.880 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.267 -20.504 -12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.328 -20.182 -11.978 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.263 -20.364 -14.937 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.240 -21.834 -14.126 1.00 0.00 H new ATOM 826 N GLU A 57 1.305 -17.588 -11.041 1.00 0.00 N ATOM 827 CA GLU A 57 1.231 -16.862 -9.745 1.00 0.00 C ATOM 828 C GLU A 57 1.087 -15.342 -10.024 1.00 0.00 C ATOM 829 O GLU A 57 0.441 -14.617 -9.257 1.00 0.00 O ATOM 830 CB GLU A 57 2.454 -17.193 -8.841 1.00 0.00 C ATOM 831 CG GLU A 57 2.689 -16.306 -7.593 1.00 0.00 C ATOM 832 CD GLU A 57 4.135 -16.302 -7.088 1.00 0.00 C ATOM 833 OE1 GLU A 57 5.066 -16.236 -7.921 1.00 0.00 O ATOM 834 OE2 GLU A 57 4.346 -16.365 -5.856 1.00 0.00 O ATOM 0 H GLU A 57 2.210 -18.025 -11.215 1.00 0.00 H new ATOM 0 HA GLU A 57 0.353 -17.191 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.353 -18.225 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.350 -17.146 -9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.395 -15.283 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.037 -16.648 -6.790 1.00 0.00 H new ATOM 841 N LEU A 58 1.722 -14.870 -11.113 1.00 0.00 N ATOM 842 CA LEU A 58 1.774 -13.424 -11.460 1.00 0.00 C ATOM 843 C LEU A 58 0.346 -12.945 -11.839 1.00 0.00 C ATOM 844 O LEU A 58 -0.022 -11.793 -11.580 1.00 0.00 O ATOM 845 CB LEU A 58 2.827 -13.221 -12.588 1.00 0.00 C ATOM 846 CG LEU A 58 4.312 -13.096 -12.144 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.243 -13.062 -13.372 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.576 -11.863 -11.254 1.00 0.00 C ATOM 0 H LEU A 58 2.212 -15.469 -11.777 1.00 0.00 H new ATOM 0 HA LEU A 58 2.093 -12.812 -10.616 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.749 -14.059 -13.281 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.561 -12.322 -13.143 1.00 0.00 H new ATOM 0 HG LEU A 58 4.526 -13.979 -11.541 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.278 -12.974 -13.042 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.122 -13.981 -13.946 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.988 -12.207 -13.998 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.630 -11.833 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.318 -10.957 -11.802 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.967 -11.928 -10.353 1.00 0.00 H new ATOM 860 N ASP A 59 -0.434 -13.840 -12.473 1.00 0.00 N ATOM 861 CA ASP A 59 -1.791 -13.520 -12.990 1.00 0.00 C ATOM 862 C ASP A 59 -2.743 -13.283 -11.786 1.00 0.00 C ATOM 863 O ASP A 59 -3.702 -12.506 -11.884 1.00 0.00 O ATOM 864 CB ASP A 59 -2.312 -14.624 -13.956 1.00 0.00 C ATOM 865 CG ASP A 59 -3.604 -14.295 -14.724 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.520 -13.724 -15.834 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.705 -14.601 -14.215 1.00 0.00 O ATOM 0 H ASP A 59 -0.149 -14.804 -12.644 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.750 -12.607 -13.584 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.528 -14.844 -14.681 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.477 -15.534 -13.380 1.00 0.00 H new ATOM 872 N ALA A 60 -2.482 -13.982 -10.666 1.00 0.00 N ATOM 873 CA ALA A 60 -3.262 -13.822 -9.410 1.00 0.00 C ATOM 874 C ALA A 60 -2.850 -12.505 -8.695 1.00 0.00 C ATOM 875 O ALA A 60 -3.681 -11.846 -8.060 1.00 0.00 O ATOM 876 CB ALA A 60 -3.038 -15.058 -8.516 1.00 0.00 C ATOM 0 H ALA A 60 -1.732 -14.670 -10.599 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.327 -13.752 -9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.607 -14.947 -7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.370 -15.953 -9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.978 -15.149 -8.280 1.00 0.00 H new ATOM 882 N ILE A 61 -1.557 -12.149 -8.807 1.00 0.00 N ATOM 883 CA ILE A 61 -0.980 -10.949 -8.144 1.00 0.00 C ATOM 884 C ILE A 61 -1.773 -9.728 -8.689 1.00 0.00 C ATOM 885 O ILE A 61 -2.186 -8.852 -7.919 1.00 0.00 O ATOM 886 CB ILE A 61 0.580 -10.862 -8.335 1.00 0.00 C ATOM 887 CG1 ILE A 61 1.370 -11.344 -7.077 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.053 -9.441 -8.746 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.258 -10.290 -6.396 1.00 0.00 C ATOM 0 H ILE A 61 -0.879 -12.678 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.090 -10.989 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 61 0.804 -11.544 -9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.655 -11.717 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.997 -12.187 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.137 -9.438 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.584 -9.160 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.770 -8.726 -7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.757 -10.736 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.005 -9.932 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.642 -9.454 -6.065 1.00 0.00 H new ATOM 901 N ILE A 62 -1.949 -9.672 -10.022 1.00 0.00 N ATOM 902 CA ILE A 62 -2.584 -8.523 -10.724 1.00 0.00 C ATOM 903 C ILE A 62 -4.110 -8.638 -10.461 1.00 0.00 C ATOM 904 O ILE A 62 -4.807 -7.621 -10.357 1.00 0.00 O ATOM 905 CB ILE A 62 -2.175 -8.467 -12.244 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.705 -7.982 -12.455 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.146 -7.601 -13.092 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.334 -7.571 -13.890 1.00 0.00 C ATOM 0 H ILE A 62 -1.657 -10.420 -10.651 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.233 -7.565 -10.341 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.244 -9.497 -12.595 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.525 -7.133 -11.796 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.031 -8.779 -12.140 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.817 -7.597 -14.131 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.152 -8.017 -13.031 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.152 -6.580 -12.709 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.708 -7.252 -13.919 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.473 -8.420 -14.559 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.974 -6.749 -14.210 1.00 0.00 H new ATOM 920 N GLU A 63 -4.620 -9.883 -10.386 1.00 0.00 N ATOM 921 CA GLU A 63 -6.061 -10.159 -10.140 1.00 0.00 C ATOM 922 C GLU A 63 -6.539 -9.280 -8.952 1.00 0.00 C ATOM 923 O GLU A 63 -7.702 -8.860 -8.907 1.00 0.00 O ATOM 924 CB GLU A 63 -6.295 -11.682 -9.917 1.00 0.00 C ATOM 925 CG GLU A 63 -7.691 -12.230 -10.299 1.00 0.00 C ATOM 926 CD GLU A 63 -8.738 -12.110 -9.188 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.354 -12.019 -8.001 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.950 -12.103 -9.497 1.00 0.00 O ATOM 0 H GLU A 63 -4.054 -10.725 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.660 -9.893 -11.011 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.546 -12.229 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.118 -11.904 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.050 -11.697 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.593 -13.279 -10.579 1.00 0.00 H new ATOM 935 N GLU A 64 -5.623 -9.004 -8.006 1.00 0.00 N ATOM 936 CA GLU A 64 -5.903 -8.135 -6.833 1.00 0.00 C ATOM 937 C GLU A 64 -6.166 -6.692 -7.345 1.00 0.00 C ATOM 938 O GLU A 64 -7.284 -6.175 -7.230 1.00 0.00 O ATOM 939 CB GLU A 64 -4.743 -8.230 -5.801 1.00 0.00 C ATOM 940 CG GLU A 64 -4.846 -9.359 -4.748 1.00 0.00 C ATOM 941 CD GLU A 64 -5.022 -8.861 -3.310 1.00 0.00 C ATOM 942 OE1 GLU A 64 -6.159 -8.507 -2.927 1.00 0.00 O ATOM 943 OE2 GLU A 64 -4.024 -8.818 -2.557 1.00 0.00 O ATOM 0 H GLU A 64 -4.672 -9.371 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.796 -8.465 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.809 -8.358 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.676 -7.278 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.687 -10.003 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.947 -9.973 -4.801 1.00 0.00 H new ATOM 950 N VAL A 65 -5.128 -6.070 -7.934 1.00 0.00 N ATOM 951 CA VAL A 65 -5.203 -4.683 -8.467 1.00 0.00 C ATOM 952 C VAL A 65 -5.516 -4.784 -9.985 1.00 0.00 C ATOM 953 O VAL A 65 -4.630 -4.582 -10.826 1.00 0.00 O ATOM 954 CB VAL A 65 -3.908 -3.857 -8.141 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.176 -2.383 -7.747 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.049 -4.503 -7.027 1.00 0.00 C ATOM 0 H VAL A 65 -4.214 -6.506 -8.057 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.002 -4.124 -7.979 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.363 -3.867 -9.085 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.230 -1.884 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.681 -1.873 -8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.806 -2.353 -6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.168 -3.888 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.636 -4.576 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.738 -5.500 -7.339 1.00 0.00 H new ATOM 966 N ASP A 66 -6.781 -5.098 -10.322 1.00 0.00 N ATOM 967 CA ASP A 66 -7.234 -5.231 -11.733 1.00 0.00 C ATOM 968 C ASP A 66 -8.770 -5.457 -11.739 1.00 0.00 C ATOM 969 O ASP A 66 -9.281 -6.372 -12.399 1.00 0.00 O ATOM 970 CB ASP A 66 -6.453 -6.351 -12.481 1.00 0.00 C ATOM 971 CG ASP A 66 -6.654 -6.412 -14.005 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.359 -5.412 -14.696 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.114 -7.459 -14.512 1.00 0.00 O ATOM 0 H ASP A 66 -7.517 -5.267 -9.636 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.017 -4.314 -12.281 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.390 -6.221 -12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.742 -7.313 -12.058 1.00 0.00 H new ATOM 978 N GLU A 67 -9.494 -4.633 -10.960 1.00 0.00 N ATOM 979 CA GLU A 67 -10.971 -4.703 -10.808 1.00 0.00 C ATOM 980 C GLU A 67 -11.645 -3.856 -11.922 1.00 0.00 C ATOM 981 O GLU A 67 -12.691 -3.212 -11.697 1.00 0.00 O ATOM 982 CB GLU A 67 -11.374 -4.260 -9.368 1.00 0.00 C ATOM 983 CG GLU A 67 -12.748 -4.749 -8.854 1.00 0.00 C ATOM 984 CD GLU A 67 -13.358 -3.867 -7.759 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.616 -3.077 -7.135 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.583 -3.958 -7.521 1.00 0.00 O ATOM 0 H GLU A 67 -9.070 -3.887 -10.408 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.323 -5.727 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.607 -4.609 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.364 -3.171 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.441 -4.798 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.640 -5.763 -8.470 1.00 0.00 H new ATOM 993 N ASP A 68 -11.077 -3.872 -13.143 1.00 0.00 N ATOM 994 CA ASP A 68 -11.577 -3.076 -14.297 1.00 0.00 C ATOM 995 C ASP A 68 -11.891 -4.038 -15.473 1.00 0.00 C ATOM 996 O ASP A 68 -12.992 -4.009 -16.040 1.00 0.00 O ATOM 997 CB ASP A 68 -10.578 -1.950 -14.692 1.00 0.00 C ATOM 998 CG ASP A 68 -9.363 -2.376 -15.533 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.540 -3.182 -15.045 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.225 -1.898 -16.681 1.00 0.00 O ATOM 0 H ASP A 68 -10.257 -4.436 -13.365 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.497 -2.564 -14.016 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.125 -1.187 -15.245 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.213 -1.481 -13.778 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.923 -4.910 -15.823 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.097 -5.904 -16.912 1.00 0.00 C ATOM 1007 C GLY A 69 -9.888 -5.883 -17.881 1.00 0.00 C ATOM 1008 O GLY A 69 -9.455 -6.931 -18.375 1.00 0.00 O ATOM 0 H GLY A 69 -10.010 -4.949 -15.369 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.208 -6.901 -16.485 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.013 -5.689 -17.463 1.00 0.00 H new ATOM 1012 N SER A 70 -9.356 -4.675 -18.148 1.00 0.00 N ATOM 1013 CA SER A 70 -8.266 -4.445 -19.134 1.00 0.00 C ATOM 1014 C SER A 70 -7.167 -5.532 -18.994 1.00 0.00 C ATOM 1015 O SER A 70 -6.711 -6.108 -19.990 1.00 0.00 O ATOM 1016 CB SER A 70 -7.702 -3.016 -18.944 1.00 0.00 C ATOM 1017 OG SER A 70 -6.956 -2.909 -17.736 1.00 0.00 O ATOM 0 H SER A 70 -9.668 -3.821 -17.686 1.00 0.00 H new ATOM 0 HA SER A 70 -8.659 -4.524 -20.148 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.065 -2.759 -19.791 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.522 -2.298 -18.932 1.00 0.00 H new ATOM 0 HG SER A 70 -7.438 -2.335 -17.104 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.771 -5.831 -17.740 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.761 -6.879 -17.448 1.00 0.00 C ATOM 1025 C GLY A 71 -4.356 -6.246 -17.276 1.00 0.00 C ATOM 1026 O GLY A 71 -3.530 -6.743 -16.499 1.00 0.00 O ATOM 0 H GLY A 71 -7.134 -5.363 -16.909 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.038 -7.416 -16.541 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.741 -7.609 -18.257 1.00 0.00 H new ATOM 1030 N THR A 72 -4.104 -5.148 -18.013 1.00 0.00 N ATOM 1031 CA THR A 72 -2.819 -4.403 -17.962 1.00 0.00 C ATOM 1032 C THR A 72 -2.799 -3.529 -16.678 1.00 0.00 C ATOM 1033 O THR A 72 -3.697 -3.632 -15.832 1.00 0.00 O ATOM 1034 CB THR A 72 -2.568 -3.572 -19.261 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.766 -2.928 -19.686 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.009 -4.372 -20.453 1.00 0.00 C ATOM 0 H THR A 72 -4.781 -4.748 -18.662 1.00 0.00 H new ATOM 0 HA THR A 72 -1.993 -5.112 -17.915 1.00 0.00 H new ATOM 0 HB THR A 72 -1.802 -2.853 -18.972 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.589 -2.411 -20.500 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.870 -3.706 -21.305 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.051 -4.814 -20.178 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.710 -5.163 -20.721 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.757 -2.690 -16.537 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.589 -1.786 -15.366 1.00 0.00 C ATOM 1046 C ILE A 73 -1.054 -0.441 -15.930 1.00 0.00 C ATOM 1047 O ILE A 73 0.119 -0.098 -15.734 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.696 -2.437 -14.243 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.329 -3.734 -13.646 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.351 -1.441 -13.103 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.371 -4.953 -14.583 1.00 0.00 C ATOM 0 H ILE A 73 -1.007 -2.613 -17.224 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.532 -1.603 -14.850 1.00 0.00 H new ATOM 0 HB ILE A 73 0.232 -2.715 -14.743 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.772 -4.008 -12.750 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.347 -3.507 -13.331 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.266 -1.942 -12.357 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.195 -0.592 -13.514 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.271 -1.089 -12.637 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.830 -5.795 -14.065 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.956 -4.710 -15.470 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.356 -5.219 -14.879 1.00 0.00 H new ATOM 1063 N ASP A 74 -1.934 0.323 -16.605 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.576 1.634 -17.209 1.00 0.00 C ATOM 1065 C ASP A 74 -1.382 2.680 -16.076 1.00 0.00 C ATOM 1066 O ASP A 74 -1.775 2.450 -14.924 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.629 2.085 -18.263 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.059 1.554 -18.060 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.835 2.176 -17.301 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.409 0.515 -18.664 1.00 0.00 O ATOM 0 H ASP A 74 -2.908 0.057 -16.750 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.636 1.538 -17.752 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.665 3.174 -18.268 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.284 1.773 -19.249 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.800 3.842 -16.426 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.559 4.951 -15.463 1.00 0.00 C ATOM 1077 C PHE A 75 -1.896 5.331 -14.770 1.00 0.00 C ATOM 1078 O PHE A 75 -1.886 5.887 -13.661 1.00 0.00 O ATOM 1079 CB PHE A 75 0.089 6.170 -16.184 1.00 0.00 C ATOM 1080 CG PHE A 75 0.830 7.159 -15.260 1.00 0.00 C ATOM 1081 CD1 PHE A 75 2.087 6.830 -14.739 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.249 8.387 -14.922 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.733 7.697 -13.860 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.897 9.252 -14.043 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.130 8.900 -13.502 1.00 0.00 C ATOM 0 H PHE A 75 -0.483 4.045 -17.374 1.00 0.00 H new ATOM 0 HA PHE A 75 0.143 4.625 -14.695 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.791 5.799 -16.931 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.690 6.712 -16.720 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.558 5.900 -15.020 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.705 8.665 -15.344 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.700 7.436 -13.457 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.442 10.196 -13.781 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.620 9.561 -12.803 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.034 5.056 -15.433 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.386 5.388 -14.910 1.00 0.00 C ATOM 1097 C GLU A 76 -4.933 4.179 -14.103 1.00 0.00 C ATOM 1098 O GLU A 76 -6.103 3.804 -14.243 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.342 5.820 -16.060 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.132 5.189 -17.459 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.111 5.690 -18.527 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.197 5.089 -18.680 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -5.796 6.685 -19.217 1.00 0.00 O ATOM 0 H GLU A 76 -3.050 4.599 -16.345 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.318 6.242 -14.237 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.362 5.601 -15.745 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.267 6.902 -16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.114 5.396 -17.789 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.226 4.106 -17.375 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.069 3.588 -13.256 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.432 2.447 -12.374 1.00 0.00 C ATOM 1112 C GLU A 77 -3.366 2.311 -11.253 1.00 0.00 C ATOM 1113 O GLU A 77 -3.699 2.042 -10.093 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.592 1.125 -13.179 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.293 -0.047 -12.452 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.884 -1.082 -13.412 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.261 -0.711 -14.545 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.968 -2.274 -13.041 1.00 0.00 O ATOM 0 H GLU A 77 -3.098 3.884 -13.159 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.402 2.646 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.151 1.345 -14.088 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.601 0.791 -13.487 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.577 -0.538 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.088 0.349 -11.820 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.085 2.501 -11.621 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.942 2.408 -10.674 1.00 0.00 C ATOM 1127 C PHE A 78 -1.135 3.468 -9.556 1.00 0.00 C ATOM 1128 O PHE A 78 -0.814 3.222 -8.388 1.00 0.00 O ATOM 1129 CB PHE A 78 0.411 2.578 -11.431 1.00 0.00 C ATOM 1130 CG PHE A 78 1.677 2.338 -10.583 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.588 1.660 -9.361 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.932 2.750 -11.046 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.733 1.408 -8.611 1.00 0.00 C ATOM 1134 CE2 PHE A 78 4.077 2.498 -10.293 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.976 1.830 -9.075 1.00 0.00 C ATOM 0 H PHE A 78 -1.807 2.723 -12.577 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.913 1.422 -10.210 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.424 1.890 -12.276 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.454 3.587 -11.841 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.625 1.331 -8.998 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.013 3.266 -11.991 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.657 0.885 -7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.043 2.821 -10.654 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.863 1.639 -8.490 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.653 4.650 -9.940 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.812 5.808 -9.020 1.00 0.00 C ATOM 1147 C LEU A 79 -2.937 5.472 -8.003 1.00 0.00 C ATOM 1148 O LEU A 79 -2.902 5.928 -6.853 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.124 7.111 -9.817 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.942 7.813 -10.546 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.269 9.290 -10.846 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.380 7.719 -9.756 1.00 0.00 C ATOM 0 H LEU A 79 -1.974 4.836 -10.890 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.883 5.989 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.884 6.875 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.566 7.829 -9.126 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.805 7.280 -11.487 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.424 9.753 -11.356 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.152 9.345 -11.483 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.463 9.817 -9.912 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.171 8.225 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.257 8.194 -8.783 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.647 6.671 -9.617 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.940 4.693 -8.449 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.097 4.286 -7.607 1.00 0.00 C ATOM 1166 C VAL A 80 -4.567 3.320 -6.514 1.00 0.00 C ATOM 1167 O VAL A 80 -5.034 3.348 -5.368 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.266 3.687 -8.468 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.646 3.699 -7.764 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.421 4.388 -9.840 1.00 0.00 C ATOM 0 H VAL A 80 -3.978 4.325 -9.400 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.542 5.154 -7.120 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.962 2.650 -8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.396 3.268 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.592 3.112 -6.847 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.922 4.725 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.244 3.932 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.630 5.447 -9.686 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.498 4.279 -10.410 1.00 0.00 H new ATOM 1180 N MET A 81 -3.603 2.458 -6.889 1.00 0.00 N ATOM 1181 CA MET A 81 -2.994 1.459 -5.970 1.00 0.00 C ATOM 1182 C MET A 81 -2.349 2.220 -4.779 1.00 0.00 C ATOM 1183 O MET A 81 -2.764 2.055 -3.626 1.00 0.00 O ATOM 1184 CB MET A 81 -1.969 0.556 -6.714 1.00 0.00 C ATOM 1185 CG MET A 81 -1.579 -0.749 -5.995 1.00 0.00 C ATOM 1186 SD MET A 81 -0.162 -0.462 -4.912 1.00 0.00 S ATOM 1187 CE MET A 81 0.705 -2.039 -5.039 1.00 0.00 C ATOM 0 H MET A 81 -3.220 2.429 -7.834 1.00 0.00 H new ATOM 0 HA MET A 81 -3.763 0.787 -5.589 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.380 0.301 -7.691 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.063 1.136 -6.890 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.423 -1.118 -5.412 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.336 -1.519 -6.728 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.603 -2.011 -4.422 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.053 -2.842 -4.695 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.984 -2.218 -6.077 1.00 0.00 H new ATOM 1197 N MET A 82 -1.310 3.023 -5.077 1.00 0.00 N ATOM 1198 CA MET A 82 -0.511 3.730 -4.040 1.00 0.00 C ATOM 1199 C MET A 82 -1.445 4.633 -3.189 1.00 0.00 C ATOM 1200 O MET A 82 -1.224 4.812 -1.985 1.00 0.00 O ATOM 1201 CB MET A 82 0.634 4.537 -4.713 1.00 0.00 C ATOM 1202 CG MET A 82 1.931 3.752 -4.989 1.00 0.00 C ATOM 1203 SD MET A 82 2.944 3.618 -3.497 1.00 0.00 S ATOM 1204 CE MET A 82 3.692 1.990 -3.708 1.00 0.00 C ATOM 0 H MET A 82 -0.998 3.203 -6.031 1.00 0.00 H new ATOM 0 HA MET A 82 -0.047 3.008 -3.368 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.265 4.937 -5.657 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.875 5.389 -4.078 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.685 2.755 -5.355 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.500 4.249 -5.775 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.342 1.776 -2.860 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.909 1.234 -3.764 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.278 1.975 -4.627 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.482 5.199 -3.834 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.404 6.179 -3.199 1.00 0.00 C ATOM 1216 C VAL A 83 -4.198 5.429 -2.095 1.00 0.00 C ATOM 1217 O VAL A 83 -4.503 6.001 -1.041 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.315 6.897 -4.257 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.714 7.256 -3.700 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.696 8.182 -4.862 1.00 0.00 C ATOM 0 H VAL A 83 -2.710 4.995 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.844 6.991 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.409 6.154 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.299 7.750 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.225 6.346 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.605 7.925 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.389 8.615 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.502 8.902 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.760 7.934 -5.363 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.549 4.158 -2.365 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.405 3.335 -1.469 1.00 0.00 C ATOM 1232 C ARG A 84 -4.793 3.379 -0.042 1.00 0.00 C ATOM 1233 O ARG A 84 -5.502 3.633 0.941 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.510 1.878 -1.999 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.831 1.546 -2.733 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.622 0.623 -3.949 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.481 -0.586 -3.878 1.00 0.00 N ATOM 1238 CZ ARG A 84 -7.951 -1.257 -4.950 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -7.293 -1.253 -6.101 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.053 -1.989 -4.869 1.00 0.00 N ATOM 0 H ARG A 84 -4.251 3.667 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.419 3.735 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.678 1.693 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.395 1.192 -1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.519 1.070 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.301 2.473 -3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.843 1.172 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.576 0.323 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.734 -0.934 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.417 -0.737 -6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.663 -1.766 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.560 -2.052 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.394 -2.490 -5.690 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.480 3.100 0.058 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.767 3.006 1.360 1.00 0.00 C ATOM 1256 C GLN A 85 -2.660 4.434 1.962 1.00 0.00 C ATOM 1257 O GLN A 85 -2.744 4.613 3.182 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.377 2.335 1.165 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.387 0.882 0.629 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.686 -0.139 1.543 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.017 -1.060 1.076 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.818 0.001 2.854 1.00 0.00 N ATOM 0 H GLN A 85 -2.881 2.933 -0.751 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.318 2.377 2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.794 2.949 0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.856 2.343 2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.421 0.569 0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.906 0.865 -0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.375 0.768 3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.363 -0.658 3.486 1.00 0.00 H new ATOM 1271 N MET A 86 -2.481 5.437 1.083 1.00 0.00 N ATOM 1272 CA MET A 86 -2.267 6.851 1.491 1.00 0.00 C ATOM 1273 C MET A 86 -3.470 7.288 2.370 1.00 0.00 C ATOM 1274 O MET A 86 -3.309 8.063 3.321 1.00 0.00 O ATOM 1275 CB MET A 86 -2.077 7.774 0.254 1.00 0.00 C ATOM 1276 CG MET A 86 -0.697 8.446 0.123 1.00 0.00 C ATOM 1277 SD MET A 86 -0.894 10.179 -0.350 1.00 0.00 S ATOM 1278 CE MET A 86 -1.906 10.026 -1.837 1.00 0.00 C ATOM 0 H MET A 86 -2.479 5.298 0.072 1.00 0.00 H new ATOM 0 HA MET A 86 -1.349 6.938 2.072 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.261 7.186 -0.645 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.838 8.554 0.286 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.159 8.378 1.069 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.098 7.923 -0.623 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.035 11.008 -2.292 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.413 9.360 -2.545 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.881 9.617 -1.573 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.675 6.797 2.024 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.945 7.201 2.684 1.00 0.00 C ATOM 1290 C LYS A 87 -5.811 6.953 4.212 1.00 0.00 C ATOM 1291 O LYS A 87 -5.544 5.827 4.647 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.166 6.415 2.127 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.365 4.993 2.702 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.167 4.030 1.802 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.699 4.138 1.939 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.168 3.556 3.208 1.00 0.00 N ATOM 0 H LYS A 87 -4.803 6.110 1.281 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.120 8.257 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.068 6.995 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.063 6.339 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.385 4.555 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.872 5.074 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.896 4.216 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.867 3.007 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.998 5.185 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.177 3.627 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.206 3.599 3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.860 2.565 3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.770 4.093 4.004 1.00 0.00 H new