USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 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 X(o=0,f=0) 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 175:sc= 0 (180deg=-0.0821) 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 180:sc= -0.406 USER MOD Single : A 39 THR OG1 : rot -74:sc= 0.0552 USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= -0.219 (180deg=-0.672) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -170:sc= 0 (180deg=-0.222) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.592 K(o=-0.59,f=-2.4) 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 -86:sc= 0.346 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -133:sc= -1.94! (180deg=-6.44!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -104:sc= -8.69! (180deg=-15.3!) USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= 1.38 (180deg=0.865) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -15.082 6.486 -13.827 1.00 0.00 N ATOM 56 CA ASP A 5 -14.864 7.333 -12.623 1.00 0.00 C ATOM 57 C ASP A 5 -13.465 7.018 -12.027 1.00 0.00 C ATOM 58 O ASP A 5 -12.818 7.895 -11.442 1.00 0.00 O ATOM 59 CB ASP A 5 -16.009 7.154 -11.584 1.00 0.00 C ATOM 60 CG ASP A 5 -16.231 8.326 -10.613 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.295 9.132 -10.415 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.339 8.441 -10.044 1.00 0.00 O ATOM 0 HA ASP A 5 -14.886 8.384 -12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.938 6.976 -12.125 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.804 6.258 -10.999 1.00 0.00 H new ATOM 67 N GLN A 6 -13.029 5.751 -12.157 1.00 0.00 N ATOM 68 CA GLN A 6 -11.766 5.256 -11.547 1.00 0.00 C ATOM 69 C GLN A 6 -10.590 6.124 -12.073 1.00 0.00 C ATOM 70 O GLN A 6 -9.841 6.717 -11.287 1.00 0.00 O ATOM 71 CB GLN A 6 -11.571 3.743 -11.855 1.00 0.00 C ATOM 72 CG GLN A 6 -11.414 3.365 -13.349 1.00 0.00 C ATOM 73 CD GLN A 6 -11.517 1.858 -13.640 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.599 1.272 -13.603 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.406 1.201 -13.939 1.00 0.00 N ATOM 0 H GLN A 6 -13.535 5.039 -12.684 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.804 5.348 -10.462 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.688 3.395 -11.319 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.424 3.198 -11.451 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.179 3.886 -13.925 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.448 3.725 -13.702 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.514 1.694 -13.967 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.443 0.202 -14.141 1.00 0.00 H new ATOM 84 N GLN A 7 -10.426 6.161 -13.409 1.00 0.00 N ATOM 85 CA GLN A 7 -9.283 6.843 -14.073 1.00 0.00 C ATOM 86 C GLN A 7 -9.421 8.376 -13.864 1.00 0.00 C ATOM 87 O GLN A 7 -8.527 9.019 -13.297 1.00 0.00 O ATOM 88 CB GLN A 7 -9.239 6.522 -15.595 1.00 0.00 C ATOM 89 CG GLN A 7 -10.578 6.649 -16.356 1.00 0.00 C ATOM 90 CD GLN A 7 -10.413 6.475 -17.875 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.199 7.440 -18.608 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.503 5.253 -18.379 1.00 0.00 N ATOM 0 H GLN A 7 -11.076 5.723 -14.062 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.355 6.483 -13.629 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.513 7.186 -16.065 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.868 5.505 -15.720 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.277 5.901 -15.982 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.017 7.625 -16.151 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.681 4.459 -17.763 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.395 5.106 -19.383 1.00 0.00 H new ATOM 101 N ALA A 8 -10.543 8.950 -14.336 1.00 0.00 N ATOM 102 CA ALA A 8 -10.821 10.407 -14.222 1.00 0.00 C ATOM 103 C ALA A 8 -10.525 10.910 -12.783 1.00 0.00 C ATOM 104 O ALA A 8 -10.164 12.077 -12.586 1.00 0.00 O ATOM 105 CB ALA A 8 -12.284 10.671 -14.631 1.00 0.00 C ATOM 0 H ALA A 8 -11.282 8.427 -14.805 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.166 10.962 -14.893 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.498 11.737 -14.551 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.438 10.347 -15.660 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.952 10.116 -13.972 1.00 0.00 H new ATOM 111 N GLU A 9 -10.684 10.017 -11.789 1.00 0.00 N ATOM 112 CA GLU A 9 -10.542 10.361 -10.348 1.00 0.00 C ATOM 113 C GLU A 9 -9.036 10.416 -9.973 1.00 0.00 C ATOM 114 O GLU A 9 -8.601 11.322 -9.250 1.00 0.00 O ATOM 115 CB GLU A 9 -11.322 9.365 -9.440 1.00 0.00 C ATOM 116 CG GLU A 9 -12.623 9.898 -8.794 1.00 0.00 C ATOM 117 CD GLU A 9 -12.451 10.275 -7.321 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.299 10.490 -6.881 1.00 0.00 O ATOM 119 OE2 GLU A 9 -13.466 10.364 -6.595 1.00 0.00 O ATOM 0 H GLU A 9 -10.914 9.037 -11.954 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.981 11.344 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.571 8.485 -10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.655 9.035 -8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.966 10.771 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.401 9.140 -8.880 1.00 0.00 H new ATOM 126 N ALA A 10 -8.259 9.423 -10.444 1.00 0.00 N ATOM 127 CA ALA A 10 -6.825 9.271 -10.080 1.00 0.00 C ATOM 128 C ALA A 10 -5.998 10.468 -10.624 1.00 0.00 C ATOM 129 O ALA A 10 -5.028 10.904 -9.995 1.00 0.00 O ATOM 130 CB ALA A 10 -6.309 7.924 -10.623 1.00 0.00 C ATOM 0 H ALA A 10 -8.598 8.704 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.714 9.272 -8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.258 7.804 -10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.887 7.110 -10.186 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.417 7.904 -11.707 1.00 0.00 H new ATOM 136 N ARG A 11 -6.400 10.981 -11.802 1.00 0.00 N ATOM 137 CA ARG A 11 -5.661 12.050 -12.524 1.00 0.00 C ATOM 138 C ARG A 11 -5.897 13.392 -11.778 1.00 0.00 C ATOM 139 O ARG A 11 -4.991 14.228 -11.683 1.00 0.00 O ATOM 140 CB ARG A 11 -6.129 12.136 -14.005 1.00 0.00 C ATOM 141 CG ARG A 11 -5.263 13.037 -14.916 1.00 0.00 C ATOM 142 CD ARG A 11 -6.006 13.486 -16.189 1.00 0.00 C ATOM 143 NE ARG A 11 -6.817 14.707 -15.952 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.327 15.490 -16.924 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.694 15.650 -18.078 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.449 16.172 -16.733 1.00 0.00 N ATOM 0 H ARG A 11 -7.244 10.671 -12.284 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.595 11.825 -12.540 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.144 11.130 -14.424 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.155 12.505 -14.025 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.947 13.917 -14.355 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.359 12.498 -15.199 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.284 13.678 -16.983 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.654 12.681 -16.535 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.002 14.972 -14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.806 15.177 -18.242 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.096 16.246 -18.802 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.939 16.108 -15.841 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.822 16.760 -17.479 1.00 0.00 H new ATOM 160 N ALA A 12 -7.133 13.589 -11.281 1.00 0.00 N ATOM 161 CA ALA A 12 -7.509 14.795 -10.497 1.00 0.00 C ATOM 162 C ALA A 12 -6.818 14.769 -9.107 1.00 0.00 C ATOM 163 O ALA A 12 -6.571 15.824 -8.507 1.00 0.00 O ATOM 164 CB ALA A 12 -9.044 14.861 -10.373 1.00 0.00 C ATOM 0 H ALA A 12 -7.898 12.926 -11.407 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.168 15.694 -11.010 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.325 15.744 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.487 14.919 -11.367 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.407 13.967 -9.865 1.00 0.00 H new ATOM 170 N PHE A 13 -6.542 13.557 -8.591 1.00 0.00 N ATOM 171 CA PHE A 13 -5.921 13.366 -7.253 1.00 0.00 C ATOM 172 C PHE A 13 -4.490 13.969 -7.253 1.00 0.00 C ATOM 173 O PHE A 13 -4.136 14.752 -6.363 1.00 0.00 O ATOM 174 CB PHE A 13 -5.949 11.852 -6.893 1.00 0.00 C ATOM 175 CG PHE A 13 -5.927 11.539 -5.383 1.00 0.00 C ATOM 176 CD1 PHE A 13 -6.331 12.504 -4.453 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.517 10.279 -4.929 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.333 12.210 -3.091 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.519 9.989 -3.567 1.00 0.00 C ATOM 180 CZ PHE A 13 -5.930 10.953 -2.650 1.00 0.00 C ATOM 0 H PHE A 13 -6.739 12.684 -9.080 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.482 13.893 -6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.844 11.407 -7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.093 11.367 -7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.643 13.481 -4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.198 9.529 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.647 12.957 -2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.202 9.016 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.936 10.725 -1.594 1.00 0.00 H new ATOM 190 N LEU A 14 -3.678 13.574 -8.252 1.00 0.00 N ATOM 191 CA LEU A 14 -2.247 13.967 -8.342 1.00 0.00 C ATOM 192 C LEU A 14 -2.051 14.769 -9.657 1.00 0.00 C ATOM 193 O LEU A 14 -2.467 14.327 -10.734 1.00 0.00 O ATOM 194 CB LEU A 14 -1.320 12.715 -8.282 1.00 0.00 C ATOM 195 CG LEU A 14 -1.957 11.334 -8.614 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.119 11.105 -10.131 1.00 0.00 C ATOM 197 CD2 LEU A 14 -1.143 10.180 -7.994 1.00 0.00 C ATOM 0 H LEU A 14 -3.987 12.977 -9.019 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.973 14.593 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.490 12.877 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.896 12.658 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.954 11.345 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.568 10.127 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.762 11.879 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.142 11.147 -10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.613 9.228 -8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.127 10.198 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.113 10.297 -6.911 1.00 0.00 H new ATOM 209 N SER A 15 -1.407 15.946 -9.547 1.00 0.00 N ATOM 210 CA SER A 15 -1.227 16.884 -10.688 1.00 0.00 C ATOM 211 C SER A 15 -0.194 16.301 -11.691 1.00 0.00 C ATOM 212 O SER A 15 0.021 15.084 -11.742 1.00 0.00 O ATOM 213 CB SER A 15 -0.807 18.271 -10.151 1.00 0.00 C ATOM 214 OG SER A 15 0.562 18.286 -9.759 1.00 0.00 O ATOM 0 H SER A 15 -0.997 16.278 -8.674 1.00 0.00 H new ATOM 0 HA SER A 15 -2.166 17.009 -11.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.975 19.026 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.433 18.538 -9.300 1.00 0.00 H new ATOM 0 HG SER A 15 0.797 19.177 -9.426 1.00 0.00 H new ATOM 220 N GLU A 16 0.412 17.186 -12.503 1.00 0.00 N ATOM 221 CA GLU A 16 1.398 16.792 -13.546 1.00 0.00 C ATOM 222 C GLU A 16 2.795 16.628 -12.884 1.00 0.00 C ATOM 223 O GLU A 16 3.613 15.825 -13.351 1.00 0.00 O ATOM 224 CB GLU A 16 1.382 17.817 -14.716 1.00 0.00 C ATOM 225 CG GLU A 16 2.420 17.595 -15.842 1.00 0.00 C ATOM 226 CD GLU A 16 3.710 18.404 -15.673 1.00 0.00 C ATOM 227 OE1 GLU A 16 3.756 19.571 -16.122 1.00 0.00 O ATOM 228 OE2 GLU A 16 4.685 17.876 -15.094 1.00 0.00 O ATOM 0 H GLU A 16 0.239 18.190 -12.462 1.00 0.00 H new ATOM 0 HA GLU A 16 1.133 15.831 -13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.388 17.810 -15.162 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.538 18.812 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.672 16.535 -15.886 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.964 17.854 -16.798 1.00 0.00 H new ATOM 235 N GLU A 17 3.054 17.422 -11.822 1.00 0.00 N ATOM 236 CA GLU A 17 4.368 17.407 -11.118 1.00 0.00 C ATOM 237 C GLU A 17 4.568 15.994 -10.502 1.00 0.00 C ATOM 238 O GLU A 17 5.606 15.356 -10.711 1.00 0.00 O ATOM 239 CB GLU A 17 4.472 18.556 -10.073 1.00 0.00 C ATOM 240 CG GLU A 17 5.084 19.887 -10.570 1.00 0.00 C ATOM 241 CD GLU A 17 4.099 20.789 -11.322 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.879 20.701 -11.062 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.542 21.588 -12.177 1.00 0.00 O ATOM 0 H GLU A 17 2.379 18.079 -11.431 1.00 0.00 H new ATOM 0 HA GLU A 17 5.179 17.597 -11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.472 18.762 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.067 18.200 -9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.480 20.434 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.927 19.665 -11.224 1.00 0.00 H new ATOM 250 N MET A 18 3.572 15.538 -9.720 1.00 0.00 N ATOM 251 CA MET A 18 3.637 14.243 -8.993 1.00 0.00 C ATOM 252 C MET A 18 3.586 13.100 -10.044 1.00 0.00 C ATOM 253 O MET A 18 4.227 12.056 -9.872 1.00 0.00 O ATOM 254 CB MET A 18 2.499 14.124 -7.940 1.00 0.00 C ATOM 255 CG MET A 18 2.125 15.425 -7.204 1.00 0.00 C ATOM 256 SD MET A 18 2.607 15.314 -5.466 1.00 0.00 S ATOM 257 CE MET A 18 4.404 15.232 -5.602 1.00 0.00 C ATOM 0 H MET A 18 2.702 16.049 -9.571 1.00 0.00 H new ATOM 0 HA MET A 18 4.568 14.175 -8.430 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.608 13.742 -8.438 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.793 13.381 -7.198 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.622 16.274 -7.674 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.052 15.601 -7.282 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.845 15.250 -4.606 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.689 14.310 -6.109 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.765 16.087 -6.174 1.00 0.00 H new ATOM 267 N ILE A 19 2.799 13.307 -11.116 1.00 0.00 N ATOM 268 CA ILE A 19 2.548 12.277 -12.160 1.00 0.00 C ATOM 269 C ILE A 19 3.914 11.976 -12.835 1.00 0.00 C ATOM 270 O ILE A 19 4.149 10.848 -13.293 1.00 0.00 O ATOM 271 CB ILE A 19 1.404 12.713 -13.152 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.011 12.249 -12.682 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.663 12.238 -14.608 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.199 13.054 -13.234 1.00 0.00 C ATOM 0 H ILE A 19 2.317 14.189 -11.289 1.00 0.00 H new ATOM 0 HA ILE A 19 2.164 11.353 -11.728 1.00 0.00 H new ATOM 0 HB ILE A 19 1.421 13.803 -13.144 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.142 11.204 -12.965 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.043 12.291 -11.593 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.844 12.566 -15.249 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.599 12.664 -14.969 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.728 11.150 -14.630 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.130 12.644 -12.842 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.105 14.096 -12.930 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.206 12.993 -14.322 1.00 0.00 H new ATOM 286 N ALA A 20 4.794 12.990 -12.926 1.00 0.00 N ATOM 287 CA ALA A 20 6.092 12.884 -13.647 1.00 0.00 C ATOM 288 C ALA A 20 7.005 11.819 -12.980 1.00 0.00 C ATOM 289 O ALA A 20 7.884 11.247 -13.639 1.00 0.00 O ATOM 290 CB ALA A 20 6.762 14.273 -13.677 1.00 0.00 C ATOM 0 H ALA A 20 4.634 13.906 -12.506 1.00 0.00 H new ATOM 0 HA ALA A 20 5.920 12.556 -14.672 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.714 14.206 -14.203 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.111 14.980 -14.192 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.935 14.616 -12.657 1.00 0.00 H new ATOM 296 N GLU A 21 6.810 11.588 -11.670 1.00 0.00 N ATOM 297 CA GLU A 21 7.638 10.637 -10.880 1.00 0.00 C ATOM 298 C GLU A 21 7.298 9.188 -11.322 1.00 0.00 C ATOM 299 O GLU A 21 8.157 8.297 -11.275 1.00 0.00 O ATOM 300 CB GLU A 21 7.437 10.886 -9.357 1.00 0.00 C ATOM 301 CG GLU A 21 7.912 12.253 -8.811 1.00 0.00 C ATOM 302 CD GLU A 21 9.385 12.283 -8.389 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.690 11.917 -7.232 1.00 0.00 O ATOM 304 OE2 GLU A 21 10.242 12.676 -9.211 1.00 0.00 O ATOM 0 H GLU A 21 6.081 12.048 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 21 8.699 10.794 -11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.376 10.779 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.960 10.101 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.749 13.013 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.295 12.524 -7.955 1.00 0.00 H new ATOM 311 N PHE A 22 6.033 8.957 -11.720 1.00 0.00 N ATOM 312 CA PHE A 22 5.517 7.602 -12.055 1.00 0.00 C ATOM 313 C PHE A 22 5.873 7.264 -13.529 1.00 0.00 C ATOM 314 O PHE A 22 6.206 6.114 -13.844 1.00 0.00 O ATOM 315 CB PHE A 22 3.982 7.528 -11.793 1.00 0.00 C ATOM 316 CG PHE A 22 3.558 7.677 -10.318 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.586 6.573 -9.457 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.165 8.924 -9.819 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.250 6.722 -8.113 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.830 9.070 -8.475 1.00 0.00 C ATOM 321 CZ PHE A 22 2.852 7.965 -7.629 1.00 0.00 C ATOM 0 H PHE A 22 5.337 9.696 -11.820 1.00 0.00 H new ATOM 0 HA PHE A 22 5.989 6.857 -11.414 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.493 8.309 -12.375 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.612 6.573 -12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.869 5.602 -9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.121 9.777 -10.479 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.298 5.873 -7.447 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.553 10.040 -8.089 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.560 8.072 -6.595 1.00 0.00 H new ATOM 331 N LYS A 23 5.769 8.267 -14.420 1.00 0.00 N ATOM 332 CA LYS A 23 5.952 8.080 -15.886 1.00 0.00 C ATOM 333 C LYS A 23 7.462 7.840 -16.160 1.00 0.00 C ATOM 334 O LYS A 23 7.824 7.086 -17.072 1.00 0.00 O ATOM 335 CB LYS A 23 5.427 9.307 -16.689 1.00 0.00 C ATOM 336 CG LYS A 23 5.993 10.697 -16.313 1.00 0.00 C ATOM 337 CD LYS A 23 6.710 11.439 -17.461 1.00 0.00 C ATOM 338 CE LYS A 23 6.421 12.951 -17.460 1.00 0.00 C ATOM 339 NZ LYS A 23 5.224 13.274 -18.256 1.00 0.00 N ATOM 0 H LYS A 23 5.557 9.229 -14.154 1.00 0.00 H new ATOM 0 HA LYS A 23 5.371 7.219 -16.218 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.635 9.133 -17.745 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.343 9.343 -16.579 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.175 11.321 -15.952 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.692 10.577 -15.485 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.785 11.278 -17.377 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.397 11.014 -18.415 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.281 13.295 -16.435 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.281 13.487 -17.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.059 14.301 -18.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.368 12.968 -19.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.399 12.782 -17.858 1.00 0.00 H new ATOM 353 N ALA A 24 8.330 8.478 -15.353 1.00 0.00 N ATOM 354 CA ALA A 24 9.801 8.269 -15.421 1.00 0.00 C ATOM 355 C ALA A 24 10.126 6.753 -15.321 1.00 0.00 C ATOM 356 O ALA A 24 10.769 6.178 -16.209 1.00 0.00 O ATOM 357 CB ALA A 24 10.478 9.077 -14.297 1.00 0.00 C ATOM 0 H ALA A 24 8.042 9.148 -14.640 1.00 0.00 H new ATOM 0 HA ALA A 24 10.189 8.623 -16.376 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.557 8.928 -14.341 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.252 10.136 -14.423 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.104 8.739 -13.330 1.00 0.00 H new ATOM 363 N ALA A 25 9.643 6.112 -14.241 1.00 0.00 N ATOM 364 CA ALA A 25 9.884 4.670 -13.971 1.00 0.00 C ATOM 365 C ALA A 25 8.948 3.772 -14.826 1.00 0.00 C ATOM 366 O ALA A 25 9.199 2.565 -14.951 1.00 0.00 O ATOM 367 CB ALA A 25 9.696 4.409 -12.461 1.00 0.00 C ATOM 0 H ALA A 25 9.076 6.571 -13.529 1.00 0.00 H new ATOM 0 HA ALA A 25 10.905 4.413 -14.254 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.870 3.354 -12.250 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.405 5.014 -11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.680 4.674 -12.170 1.00 0.00 H new ATOM 373 N PHE A 26 7.879 4.355 -15.398 1.00 0.00 N ATOM 374 CA PHE A 26 6.839 3.595 -16.143 1.00 0.00 C ATOM 375 C PHE A 26 7.486 3.011 -17.429 1.00 0.00 C ATOM 376 O PHE A 26 7.127 1.911 -17.869 1.00 0.00 O ATOM 377 CB PHE A 26 5.607 4.495 -16.464 1.00 0.00 C ATOM 378 CG PHE A 26 4.718 3.997 -17.625 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.051 4.299 -18.950 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.563 3.251 -17.361 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.247 3.853 -19.996 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.760 2.808 -18.409 1.00 0.00 C ATOM 383 CZ PHE A 26 3.098 3.115 -19.725 1.00 0.00 C ATOM 0 H PHE A 26 7.705 5.359 -15.362 1.00 0.00 H new ATOM 0 HA PHE A 26 6.465 2.775 -15.530 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.994 4.578 -15.567 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.961 5.498 -16.702 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.936 4.881 -19.163 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.294 3.018 -16.341 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.515 4.080 -21.017 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.874 2.226 -18.201 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.468 2.780 -20.536 1.00 0.00 H new ATOM 393 N ASP A 27 8.416 3.770 -18.037 1.00 0.00 N ATOM 394 CA ASP A 27 9.064 3.385 -19.319 1.00 0.00 C ATOM 395 C ASP A 27 9.914 2.106 -19.083 1.00 0.00 C ATOM 396 O ASP A 27 9.771 1.113 -19.805 1.00 0.00 O ATOM 397 CB ASP A 27 9.896 4.556 -19.918 1.00 0.00 C ATOM 398 CG ASP A 27 9.104 5.811 -20.325 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.961 5.987 -19.847 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.621 6.618 -21.129 1.00 0.00 O ATOM 0 H ASP A 27 8.742 4.661 -17.663 1.00 0.00 H new ATOM 0 HA ASP A 27 8.300 3.162 -20.063 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.651 4.849 -19.188 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.427 4.186 -20.795 1.00 0.00 H new ATOM 405 N MET A 28 10.797 2.156 -18.068 1.00 0.00 N ATOM 406 CA MET A 28 11.654 1.007 -17.677 1.00 0.00 C ATOM 407 C MET A 28 10.752 -0.255 -17.580 1.00 0.00 C ATOM 408 O MET A 28 11.039 -1.284 -18.201 1.00 0.00 O ATOM 409 CB MET A 28 12.415 1.286 -16.349 1.00 0.00 C ATOM 410 CG MET A 28 12.333 2.730 -15.790 1.00 0.00 C ATOM 411 SD MET A 28 13.348 3.837 -16.794 1.00 0.00 S ATOM 412 CE MET A 28 14.156 4.829 -15.520 1.00 0.00 C ATOM 0 H MET A 28 10.941 2.987 -17.495 1.00 0.00 H new ATOM 0 HA MET A 28 12.425 0.845 -18.430 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.034 0.605 -15.589 1.00 0.00 H new ATOM 0 HB3 MET A 28 13.466 1.039 -16.500 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.298 3.071 -15.791 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.674 2.748 -14.755 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.816 5.558 -15.990 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.401 5.350 -14.931 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.740 4.179 -14.868 1.00 0.00 H new ATOM 422 N PHE A 29 9.682 -0.161 -16.767 1.00 0.00 N ATOM 423 CA PHE A 29 8.721 -1.276 -16.554 1.00 0.00 C ATOM 424 C PHE A 29 8.337 -1.872 -17.936 1.00 0.00 C ATOM 425 O PHE A 29 8.270 -3.097 -18.099 1.00 0.00 O ATOM 426 CB PHE A 29 7.470 -0.787 -15.765 1.00 0.00 C ATOM 427 CG PHE A 29 6.610 -1.898 -15.130 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.083 -3.215 -15.070 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.352 -1.598 -14.594 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.305 -4.215 -14.492 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.577 -2.601 -14.016 1.00 0.00 C ATOM 432 CZ PHE A 29 5.049 -3.910 -13.976 1.00 0.00 C ATOM 0 H PHE A 29 9.455 0.682 -16.239 1.00 0.00 H new ATOM 0 HA PHE A 29 9.185 -2.056 -15.950 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.801 -0.112 -14.976 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.841 -0.205 -16.439 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.055 -3.456 -15.474 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.981 -0.584 -14.629 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.677 -5.228 -14.444 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.610 -2.363 -13.599 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.440 -4.690 -13.544 1.00 0.00 H new ATOM 442 N ASP A 30 8.065 -0.988 -18.914 1.00 0.00 N ATOM 443 CA ASP A 30 7.608 -1.392 -20.271 1.00 0.00 C ATOM 444 C ASP A 30 8.649 -2.376 -20.874 1.00 0.00 C ATOM 445 O ASP A 30 8.366 -3.569 -21.033 1.00 0.00 O ATOM 446 CB ASP A 30 7.352 -0.157 -21.183 1.00 0.00 C ATOM 447 CG ASP A 30 6.262 -0.323 -22.255 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.072 -0.085 -21.951 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.593 -0.698 -23.401 1.00 0.00 O ATOM 0 H ASP A 30 8.153 0.021 -18.795 1.00 0.00 H new ATOM 0 HA ASP A 30 6.648 -1.902 -20.198 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.084 0.688 -20.549 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.287 0.102 -21.681 1.00 0.00 H new ATOM 454 N ALA A 31 9.831 -1.852 -21.244 1.00 0.00 N ATOM 455 CA ALA A 31 10.958 -2.628 -21.831 1.00 0.00 C ATOM 456 C ALA A 31 10.825 -2.728 -23.376 1.00 0.00 C ATOM 457 O ALA A 31 11.839 -2.862 -24.079 1.00 0.00 O ATOM 458 CB ALA A 31 11.027 -4.024 -21.175 1.00 0.00 C ATOM 0 H ALA A 31 10.042 -0.859 -21.145 1.00 0.00 H new ATOM 0 HA ALA A 31 11.892 -2.104 -21.626 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.853 -4.589 -21.607 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.185 -3.914 -20.102 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.092 -4.556 -21.352 1.00 0.00 H new ATOM 464 N ASP A 32 9.585 -2.664 -23.893 1.00 0.00 N ATOM 465 CA ASP A 32 9.292 -2.803 -25.344 1.00 0.00 C ATOM 466 C ASP A 32 9.398 -1.404 -26.009 1.00 0.00 C ATOM 467 O ASP A 32 9.817 -1.283 -27.167 1.00 0.00 O ATOM 468 CB ASP A 32 7.913 -3.481 -25.593 1.00 0.00 C ATOM 469 CG ASP A 32 6.768 -2.547 -26.024 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.871 -1.924 -27.103 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.763 -2.441 -25.288 1.00 0.00 O ATOM 0 H ASP A 32 8.753 -2.515 -23.322 1.00 0.00 H new ATOM 0 HA ASP A 32 10.027 -3.465 -25.803 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.040 -4.245 -26.360 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.612 -3.993 -24.679 1.00 0.00 H new ATOM 476 N GLY A 33 8.984 -0.355 -25.271 1.00 0.00 N ATOM 477 CA GLY A 33 9.016 1.045 -25.771 1.00 0.00 C ATOM 478 C GLY A 33 8.354 2.028 -24.770 1.00 0.00 C ATOM 479 O GLY A 33 9.039 2.706 -23.995 1.00 0.00 O ATOM 0 H GLY A 33 8.621 -0.446 -24.322 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.049 1.345 -25.946 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.501 1.101 -26.730 1.00 0.00 H new ATOM 483 N GLY A 34 7.010 2.116 -24.819 1.00 0.00 N ATOM 484 CA GLY A 34 6.232 3.025 -23.939 1.00 0.00 C ATOM 485 C GLY A 34 4.819 3.258 -24.530 1.00 0.00 C ATOM 486 O GLY A 34 4.652 3.400 -25.747 1.00 0.00 O ATOM 0 H GLY A 34 6.435 1.569 -25.459 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.151 2.596 -22.940 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.753 3.977 -23.835 1.00 0.00 H new ATOM 490 N GLY A 35 3.799 3.276 -23.649 1.00 0.00 N ATOM 491 CA GLY A 35 2.400 3.572 -24.044 1.00 0.00 C ATOM 492 C GLY A 35 1.413 2.716 -23.208 1.00 0.00 C ATOM 493 O GLY A 35 0.441 3.238 -22.648 1.00 0.00 O ATOM 0 H GLY A 35 3.915 3.088 -22.653 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.189 4.631 -23.896 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.263 3.365 -25.105 1.00 0.00 H new ATOM 497 N ASP A 36 1.686 1.400 -23.132 1.00 0.00 N ATOM 498 CA ASP A 36 0.882 0.442 -22.327 1.00 0.00 C ATOM 499 C ASP A 36 1.737 -0.829 -22.068 1.00 0.00 C ATOM 500 O ASP A 36 2.349 -1.372 -22.997 1.00 0.00 O ATOM 501 CB ASP A 36 -0.479 0.120 -23.010 1.00 0.00 C ATOM 502 CG ASP A 36 -1.013 1.181 -23.988 1.00 0.00 C ATOM 503 OD1 ASP A 36 -0.456 1.313 -25.100 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.985 1.889 -23.642 1.00 0.00 O ATOM 0 H ASP A 36 2.467 0.965 -23.623 1.00 0.00 H new ATOM 0 HA ASP A 36 0.627 0.891 -21.367 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.378 -0.823 -23.548 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.226 -0.035 -22.231 1.00 0.00 H new ATOM 509 N ILE A 37 1.783 -1.277 -20.800 1.00 0.00 N ATOM 510 CA ILE A 37 2.561 -2.472 -20.375 1.00 0.00 C ATOM 511 C ILE A 37 1.742 -3.753 -20.696 1.00 0.00 C ATOM 512 O ILE A 37 0.580 -3.674 -21.114 1.00 0.00 O ATOM 513 CB ILE A 37 3.048 -2.422 -18.879 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.896 -1.039 -18.170 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.487 -2.979 -18.742 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.864 -0.773 -17.006 1.00 0.00 C ATOM 0 H ILE A 37 1.283 -0.825 -20.034 1.00 0.00 H new ATOM 0 HA ILE A 37 3.488 -2.485 -20.948 1.00 0.00 H new ATOM 0 HB ILE A 37 2.360 -3.074 -18.341 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.029 -0.254 -18.914 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.876 -0.954 -17.796 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.797 -2.932 -17.698 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.510 -4.015 -19.081 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.167 -2.383 -19.350 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.669 0.215 -16.589 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.720 -1.528 -16.233 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.891 -0.817 -17.369 1.00 0.00 H new ATOM 528 N SER A 38 2.352 -4.932 -20.466 1.00 0.00 N ATOM 529 CA SER A 38 1.710 -6.244 -20.748 1.00 0.00 C ATOM 530 C SER A 38 2.075 -7.258 -19.629 1.00 0.00 C ATOM 531 O SER A 38 2.796 -6.924 -18.682 1.00 0.00 O ATOM 532 CB SER A 38 2.136 -6.735 -22.150 1.00 0.00 C ATOM 533 OG SER A 38 1.137 -7.563 -22.737 1.00 0.00 O ATOM 0 H SER A 38 3.294 -5.009 -20.083 1.00 0.00 H new ATOM 0 HA SER A 38 0.625 -6.142 -20.751 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.325 -5.877 -22.796 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.072 -7.289 -22.074 1.00 0.00 H new ATOM 0 HG SER A 38 1.435 -7.856 -23.623 1.00 0.00 H new ATOM 539 N THR A 39 1.587 -8.504 -19.778 1.00 0.00 N ATOM 540 CA THR A 39 1.831 -9.604 -18.807 1.00 0.00 C ATOM 541 C THR A 39 3.220 -10.238 -19.087 1.00 0.00 C ATOM 542 O THR A 39 3.875 -10.745 -18.165 1.00 0.00 O ATOM 543 CB THR A 39 0.677 -10.658 -18.819 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.015 -10.631 -20.065 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.363 -10.505 -17.694 1.00 0.00 C ATOM 0 H THR A 39 1.012 -8.783 -20.573 1.00 0.00 H new ATOM 0 HA THR A 39 1.840 -9.192 -17.798 1.00 0.00 H new ATOM 0 HB THR A 39 1.184 -11.609 -18.656 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.580 -9.832 -20.108 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.120 -11.283 -17.790 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.131 -10.598 -16.727 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.837 -9.526 -17.767 1.00 0.00 H new ATOM 553 N LYS A 40 3.660 -10.215 -20.360 1.00 0.00 N ATOM 554 CA LYS A 40 4.968 -10.794 -20.773 1.00 0.00 C ATOM 555 C LYS A 40 6.094 -9.797 -20.386 1.00 0.00 C ATOM 556 O LYS A 40 7.103 -10.189 -19.785 1.00 0.00 O ATOM 557 CB LYS A 40 4.933 -11.141 -22.291 1.00 0.00 C ATOM 558 CG LYS A 40 5.560 -12.501 -22.702 1.00 0.00 C ATOM 559 CD LYS A 40 6.999 -12.523 -23.270 1.00 0.00 C ATOM 560 CE LYS A 40 7.145 -12.781 -24.785 1.00 0.00 C ATOM 561 NZ LYS A 40 6.336 -13.910 -25.278 1.00 0.00 N ATOM 0 H LYS A 40 3.131 -9.801 -21.128 1.00 0.00 H new ATOM 0 HA LYS A 40 5.172 -11.730 -20.254 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.894 -11.130 -22.620 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.448 -10.349 -22.835 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.542 -13.150 -21.826 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.905 -12.953 -23.447 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.469 -11.567 -23.041 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.562 -13.290 -22.739 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.861 -11.879 -25.327 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.194 -12.972 -25.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.749 -14.274 -26.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.323 -14.666 -24.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.364 -13.588 -25.458 1.00 0.00 H new ATOM 575 N GLU A 41 5.901 -8.510 -20.728 1.00 0.00 N ATOM 576 CA GLU A 41 6.916 -7.447 -20.497 1.00 0.00 C ATOM 577 C GLU A 41 7.091 -7.240 -18.967 1.00 0.00 C ATOM 578 O GLU A 41 8.212 -7.064 -18.477 1.00 0.00 O ATOM 579 CB GLU A 41 6.540 -6.133 -21.241 1.00 0.00 C ATOM 580 CG GLU A 41 5.329 -6.171 -22.207 1.00 0.00 C ATOM 581 CD GLU A 41 4.916 -4.799 -22.749 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.313 -3.770 -22.157 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.194 -4.744 -23.769 1.00 0.00 O ATOM 0 H GLU A 41 5.046 -8.172 -21.170 1.00 0.00 H new ATOM 0 HA GLU A 41 7.875 -7.758 -20.912 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.346 -5.367 -20.490 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.412 -5.809 -21.809 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.568 -6.824 -23.046 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.479 -6.616 -21.689 1.00 0.00 H new ATOM 590 N LEU A 42 5.965 -7.262 -18.231 1.00 0.00 N ATOM 591 CA LEU A 42 5.955 -7.130 -16.750 1.00 0.00 C ATOM 592 C LEU A 42 6.908 -8.208 -16.165 1.00 0.00 C ATOM 593 O LEU A 42 7.784 -7.904 -15.347 1.00 0.00 O ATOM 594 CB LEU A 42 4.507 -7.269 -16.191 1.00 0.00 C ATOM 595 CG LEU A 42 4.315 -7.338 -14.649 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.823 -8.724 -14.177 1.00 0.00 C ATOM 597 CD2 LEU A 42 5.605 -6.957 -13.896 1.00 0.00 C ATOM 0 H LEU A 42 5.036 -7.371 -18.638 1.00 0.00 H new ATOM 0 HA LEU A 42 6.305 -6.141 -16.454 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.925 -6.425 -16.561 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.070 -8.170 -16.621 1.00 0.00 H new ATOM 0 HG LEU A 42 3.541 -6.608 -14.411 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.705 -8.719 -13.093 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.865 -8.949 -14.645 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.552 -9.484 -14.459 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.431 -7.017 -12.822 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.404 -7.644 -14.173 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.894 -5.940 -14.160 1.00 0.00 H new ATOM 609 N GLY A 43 6.720 -9.469 -16.598 1.00 0.00 N ATOM 610 CA GLY A 43 7.464 -10.634 -16.060 1.00 0.00 C ATOM 611 C GLY A 43 8.982 -10.337 -15.961 1.00 0.00 C ATOM 612 O GLY A 43 9.677 -10.893 -15.098 1.00 0.00 O ATOM 0 H GLY A 43 6.051 -9.713 -17.328 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.077 -10.892 -15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.302 -11.500 -16.702 1.00 0.00 H new ATOM 616 N THR A 44 9.483 -9.461 -16.850 1.00 0.00 N ATOM 617 CA THR A 44 10.934 -9.152 -16.963 1.00 0.00 C ATOM 618 C THR A 44 11.382 -8.374 -15.695 1.00 0.00 C ATOM 619 O THR A 44 12.245 -8.839 -14.939 1.00 0.00 O ATOM 620 CB THR A 44 11.270 -8.393 -18.285 1.00 0.00 C ATOM 621 OG1 THR A 44 11.689 -9.305 -19.297 1.00 0.00 O ATOM 622 CG2 THR A 44 12.346 -7.298 -18.157 1.00 0.00 C ATOM 0 H THR A 44 8.903 -8.945 -17.511 1.00 0.00 H new ATOM 0 HA THR A 44 11.498 -10.083 -17.017 1.00 0.00 H new ATOM 0 HB THR A 44 10.337 -7.895 -18.549 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.893 -8.811 -20.118 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.507 -6.831 -19.129 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.015 -6.544 -17.442 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.278 -7.743 -17.809 1.00 0.00 H new ATOM 630 N VAL A 45 10.804 -7.174 -15.497 1.00 0.00 N ATOM 631 CA VAL A 45 11.192 -6.246 -14.402 1.00 0.00 C ATOM 632 C VAL A 45 11.074 -7.025 -13.063 1.00 0.00 C ATOM 633 O VAL A 45 11.883 -6.829 -12.147 1.00 0.00 O ATOM 634 CB VAL A 45 10.360 -4.915 -14.435 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.915 -4.448 -13.028 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.081 -3.732 -15.129 1.00 0.00 C ATOM 0 H VAL A 45 10.054 -6.815 -16.088 1.00 0.00 H new ATOM 0 HA VAL A 45 12.223 -5.916 -14.526 1.00 0.00 H new ATOM 0 HB VAL A 45 9.487 -5.183 -15.030 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.344 -3.524 -13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.293 -5.217 -12.569 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.794 -4.274 -12.407 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.438 -2.852 -15.109 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.011 -3.514 -14.604 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.301 -3.997 -16.163 1.00 0.00 H new ATOM 646 N MET A 46 10.045 -7.887 -12.955 1.00 0.00 N ATOM 647 CA MET A 46 9.729 -8.625 -11.703 1.00 0.00 C ATOM 648 C MET A 46 10.933 -9.549 -11.376 1.00 0.00 C ATOM 649 O MET A 46 11.296 -9.724 -10.207 1.00 0.00 O ATOM 650 CB MET A 46 8.396 -9.415 -11.831 1.00 0.00 C ATOM 651 CG MET A 46 7.109 -8.602 -11.598 1.00 0.00 C ATOM 652 SD MET A 46 6.449 -8.944 -9.952 1.00 0.00 S ATOM 653 CE MET A 46 6.787 -7.387 -9.105 1.00 0.00 C ATOM 0 H MET A 46 9.409 -8.095 -13.725 1.00 0.00 H new ATOM 0 HA MET A 46 9.578 -7.925 -10.881 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.350 -9.854 -12.828 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.415 -10.241 -11.120 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.319 -7.537 -11.700 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.367 -8.855 -12.356 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.600 -7.505 -8.038 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.829 -7.106 -9.262 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.137 -6.608 -9.503 1.00 0.00 H new ATOM 663 N ARG A 47 11.520 -10.156 -12.425 1.00 0.00 N ATOM 664 CA ARG A 47 12.690 -11.064 -12.292 1.00 0.00 C ATOM 665 C ARG A 47 13.784 -10.354 -11.446 1.00 0.00 C ATOM 666 O ARG A 47 14.264 -10.905 -10.449 1.00 0.00 O ATOM 667 CB ARG A 47 13.232 -11.465 -13.692 1.00 0.00 C ATOM 668 CG ARG A 47 13.563 -12.967 -13.856 1.00 0.00 C ATOM 669 CD ARG A 47 14.577 -13.245 -14.983 1.00 0.00 C ATOM 670 NE ARG A 47 15.762 -13.998 -14.496 1.00 0.00 N ATOM 671 CZ ARG A 47 16.682 -14.589 -15.287 1.00 0.00 C ATOM 672 NH1 ARG A 47 16.647 -14.565 -16.619 1.00 0.00 N ATOM 673 NH2 ARG A 47 17.678 -15.232 -14.706 1.00 0.00 N ATOM 0 H ARG A 47 11.203 -10.036 -13.387 1.00 0.00 H new ATOM 0 HA ARG A 47 12.389 -11.981 -11.786 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.495 -11.186 -14.445 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.132 -10.885 -13.897 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.960 -13.350 -12.916 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.643 -13.515 -14.060 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.090 -13.811 -15.777 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.902 -12.300 -15.418 1.00 0.00 H new ATOM 0 HE ARG A 47 15.890 -14.074 -13.487 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.891 -14.078 -17.101 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.376 -15.033 -17.157 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.735 -15.271 -13.688 1.00 0.00 H new ATOM 0 HH22 ARG A 47 18.390 -15.690 -15.275 1.00 0.00 H new ATOM 687 N MET A 48 14.182 -9.144 -11.885 1.00 0.00 N ATOM 688 CA MET A 48 15.293 -8.380 -11.253 1.00 0.00 C ATOM 689 C MET A 48 15.023 -8.318 -9.724 1.00 0.00 C ATOM 690 O MET A 48 15.965 -8.296 -8.921 1.00 0.00 O ATOM 691 CB MET A 48 15.450 -6.964 -11.876 1.00 0.00 C ATOM 692 CG MET A 48 14.729 -5.820 -11.138 1.00 0.00 C ATOM 693 SD MET A 48 15.938 -4.711 -10.381 1.00 0.00 S ATOM 694 CE MET A 48 14.931 -3.245 -10.078 1.00 0.00 C ATOM 0 H MET A 48 13.753 -8.667 -12.678 1.00 0.00 H new ATOM 0 HA MET A 48 16.241 -8.886 -11.437 1.00 0.00 H new ATOM 0 HB2 MET A 48 16.513 -6.726 -11.925 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.083 -6.997 -12.902 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.102 -5.265 -11.836 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.070 -6.229 -10.372 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.543 -2.473 -9.612 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.535 -2.874 -11.023 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.105 -3.502 -9.415 1.00 0.00 H new ATOM 704 N LEU A 49 13.735 -8.257 -9.340 1.00 0.00 N ATOM 705 CA LEU A 49 13.309 -8.120 -7.921 1.00 0.00 C ATOM 706 C LEU A 49 14.074 -9.176 -7.079 1.00 0.00 C ATOM 707 O LEU A 49 14.743 -8.843 -6.094 1.00 0.00 O ATOM 708 CB LEU A 49 11.764 -8.283 -7.788 1.00 0.00 C ATOM 709 CG LEU A 49 11.072 -7.592 -6.577 1.00 0.00 C ATOM 710 CD1 LEU A 49 9.583 -7.974 -6.450 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.808 -7.907 -5.259 1.00 0.00 C ATOM 0 H LEU A 49 12.956 -8.301 -9.997 1.00 0.00 H new ATOM 0 HA LEU A 49 13.550 -7.123 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.305 -7.902 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.541 -9.349 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 49 11.124 -6.520 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.149 -7.465 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.052 -7.676 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.494 -9.052 -6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.301 -7.410 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.808 -8.984 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.836 -7.550 -5.322 1.00 0.00 H new ATOM 723 N GLY A 50 13.990 -10.454 -7.501 1.00 0.00 N ATOM 724 CA GLY A 50 14.752 -11.560 -6.868 1.00 0.00 C ATOM 725 C GLY A 50 14.151 -12.931 -7.271 1.00 0.00 C ATOM 726 O GLY A 50 14.888 -13.872 -7.595 1.00 0.00 O ATOM 0 H GLY A 50 13.401 -10.750 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.797 -11.511 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.730 -11.451 -5.784 1.00 0.00 H new ATOM 730 N GLN A 51 12.806 -13.015 -7.273 1.00 0.00 N ATOM 731 CA GLN A 51 12.066 -14.267 -7.585 1.00 0.00 C ATOM 732 C GLN A 51 12.006 -14.423 -9.129 1.00 0.00 C ATOM 733 O GLN A 51 12.577 -13.612 -9.868 1.00 0.00 O ATOM 734 CB GLN A 51 10.653 -14.240 -6.933 1.00 0.00 C ATOM 735 CG GLN A 51 10.149 -15.578 -6.339 1.00 0.00 C ATOM 736 CD GLN A 51 9.019 -15.432 -5.305 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.251 -15.460 -4.097 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.780 -15.278 -5.750 1.00 0.00 N ATOM 0 H GLN A 51 12.199 -12.224 -7.060 1.00 0.00 H new ATOM 0 HA GLN A 51 12.579 -15.133 -7.168 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.656 -13.492 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.936 -13.906 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.800 -16.213 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.988 -16.092 -5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.597 -15.256 -6.753 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.009 -15.181 -5.089 1.00 0.00 H new ATOM 747 N ASN A 52 11.325 -15.485 -9.597 1.00 0.00 N ATOM 748 CA ASN A 52 11.108 -15.734 -11.047 1.00 0.00 C ATOM 749 C ASN A 52 9.807 -16.586 -11.272 1.00 0.00 C ATOM 750 O ASN A 52 9.902 -17.818 -11.220 1.00 0.00 O ATOM 751 CB ASN A 52 12.373 -16.425 -11.629 1.00 0.00 C ATOM 752 CG ASN A 52 12.550 -16.274 -13.155 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.745 -15.634 -13.830 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.592 -16.861 -13.726 1.00 0.00 N ATOM 0 H ASN A 52 10.910 -16.194 -8.992 1.00 0.00 H new ATOM 0 HA ASN A 52 10.956 -14.792 -11.573 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.253 -16.016 -11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.334 -17.487 -11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.732 -16.784 -14.733 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.254 -17.390 -13.158 1.00 0.00 H new ATOM 761 N PRO A 53 8.602 -16.002 -11.563 1.00 0.00 N ATOM 762 CA PRO A 53 7.357 -16.775 -11.802 1.00 0.00 C ATOM 763 C PRO A 53 7.310 -17.383 -13.231 1.00 0.00 C ATOM 764 O PRO A 53 8.285 -17.299 -13.987 1.00 0.00 O ATOM 765 CB PRO A 53 6.266 -15.719 -11.530 1.00 0.00 C ATOM 766 CG PRO A 53 6.894 -14.365 -11.868 1.00 0.00 C ATOM 767 CD PRO A 53 8.385 -14.537 -11.588 1.00 0.00 C ATOM 0 HA PRO A 53 7.248 -17.657 -11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.384 -15.903 -12.143 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.944 -15.750 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.717 -14.097 -12.910 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.467 -13.569 -11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.989 -14.061 -12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.664 -14.080 -10.638 1.00 0.00 H new ATOM 775 N THR A 54 6.169 -18.010 -13.575 1.00 0.00 N ATOM 776 CA THR A 54 5.958 -18.644 -14.904 1.00 0.00 C ATOM 777 C THR A 54 5.067 -17.710 -15.768 1.00 0.00 C ATOM 778 O THR A 54 4.831 -16.550 -15.408 1.00 0.00 O ATOM 779 CB THR A 54 5.378 -20.088 -14.781 1.00 0.00 C ATOM 780 OG1 THR A 54 5.846 -20.911 -15.847 1.00 0.00 O ATOM 781 CG2 THR A 54 3.840 -20.177 -14.752 1.00 0.00 C ATOM 0 H THR A 54 5.368 -18.095 -12.949 1.00 0.00 H new ATOM 0 HA THR A 54 6.920 -18.767 -15.402 1.00 0.00 H new ATOM 0 HB THR A 54 5.736 -20.436 -13.812 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.473 -21.812 -15.752 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.538 -21.221 -14.665 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.459 -19.616 -13.898 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.434 -19.757 -15.672 1.00 0.00 H new ATOM 789 N LYS A 55 4.604 -18.226 -16.922 1.00 0.00 N ATOM 790 CA LYS A 55 3.751 -17.464 -17.871 1.00 0.00 C ATOM 791 C LYS A 55 2.299 -17.465 -17.319 1.00 0.00 C ATOM 792 O LYS A 55 1.583 -16.462 -17.421 1.00 0.00 O ATOM 793 CB LYS A 55 3.850 -18.076 -19.301 1.00 0.00 C ATOM 794 CG LYS A 55 5.228 -18.014 -20.002 1.00 0.00 C ATOM 795 CD LYS A 55 5.708 -19.343 -20.630 1.00 0.00 C ATOM 796 CE LYS A 55 5.485 -20.589 -19.748 1.00 0.00 C ATOM 797 NZ LYS A 55 6.307 -21.746 -20.154 1.00 0.00 N ATOM 0 H LYS A 55 4.806 -19.178 -17.227 1.00 0.00 H new ATOM 0 HA LYS A 55 4.090 -16.432 -17.958 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.547 -19.121 -19.243 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.124 -17.569 -19.937 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.186 -17.256 -20.784 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.972 -17.684 -19.277 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.191 -19.489 -21.579 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.771 -19.260 -20.856 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.711 -20.337 -18.712 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.432 -20.869 -19.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.111 -22.549 -19.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.075 -22.010 -21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.314 -21.495 -20.092 1.00 0.00 H new ATOM 811 N GLU A 56 1.895 -18.595 -16.708 1.00 0.00 N ATOM 812 CA GLU A 56 0.519 -18.787 -16.181 1.00 0.00 C ATOM 813 C GLU A 56 0.372 -17.952 -14.880 1.00 0.00 C ATOM 814 O GLU A 56 -0.684 -17.363 -14.623 1.00 0.00 O ATOM 815 CB GLU A 56 0.221 -20.302 -15.987 1.00 0.00 C ATOM 816 CG GLU A 56 -0.400 -21.044 -17.194 1.00 0.00 C ATOM 817 CD GLU A 56 0.598 -21.374 -18.308 1.00 0.00 C ATOM 818 OE1 GLU A 56 1.263 -22.431 -18.232 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.718 -20.581 -19.268 1.00 0.00 O ATOM 0 H GLU A 56 2.505 -19.400 -16.563 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.228 -18.429 -16.890 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.153 -20.802 -15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.452 -20.411 -15.137 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.854 -21.970 -16.842 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.202 -20.433 -17.609 1.00 0.00 H new ATOM 826 N GLU A 57 1.449 -17.909 -14.075 1.00 0.00 N ATOM 827 CA GLU A 57 1.449 -17.231 -12.752 1.00 0.00 C ATOM 828 C GLU A 57 1.369 -15.696 -12.971 1.00 0.00 C ATOM 829 O GLU A 57 0.750 -14.975 -12.179 1.00 0.00 O ATOM 830 CB GLU A 57 2.682 -17.652 -11.902 1.00 0.00 C ATOM 831 CG GLU A 57 2.932 -19.167 -11.696 1.00 0.00 C ATOM 832 CD GLU A 57 2.052 -19.809 -10.618 1.00 0.00 C ATOM 833 OE1 GLU A 57 0.824 -19.919 -10.827 1.00 0.00 O ATOM 834 OE2 GLU A 57 2.586 -20.207 -9.559 1.00 0.00 O ATOM 0 H GLU A 57 2.342 -18.339 -14.315 1.00 0.00 H new ATOM 0 HA GLU A 57 0.574 -17.540 -12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.571 -17.226 -12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.584 -17.192 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.764 -19.683 -12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.979 -19.318 -11.432 1.00 0.00 H new ATOM 841 N LEU A 58 2.028 -15.209 -14.040 1.00 0.00 N ATOM 842 CA LEU A 58 2.114 -13.758 -14.349 1.00 0.00 C ATOM 843 C LEU A 58 0.690 -13.229 -14.673 1.00 0.00 C ATOM 844 O LEU A 58 0.346 -12.092 -14.328 1.00 0.00 O ATOM 845 CB LEU A 58 3.139 -13.553 -15.502 1.00 0.00 C ATOM 846 CG LEU A 58 4.532 -12.987 -15.105 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.652 -13.716 -15.875 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.652 -11.464 -15.327 1.00 0.00 C ATOM 0 H LEU A 58 2.515 -15.801 -14.713 1.00 0.00 H new ATOM 0 HA LEU A 58 2.476 -13.180 -13.499 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.290 -14.512 -15.998 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.695 -12.881 -16.236 1.00 0.00 H new ATOM 0 HG LEU A 58 4.641 -13.166 -14.035 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.619 -13.307 -15.584 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.623 -14.780 -15.639 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.507 -13.578 -16.946 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.647 -11.130 -15.031 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.491 -11.236 -16.381 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.903 -10.949 -14.726 1.00 0.00 H new ATOM 860 N ASP A 59 -0.131 -14.083 -15.311 1.00 0.00 N ATOM 861 CA ASP A 59 -1.505 -13.721 -15.749 1.00 0.00 C ATOM 862 C ASP A 59 -2.358 -13.394 -14.493 1.00 0.00 C ATOM 863 O ASP A 59 -3.270 -12.560 -14.549 1.00 0.00 O ATOM 864 CB ASP A 59 -2.139 -14.836 -16.630 1.00 0.00 C ATOM 865 CG ASP A 59 -3.568 -14.569 -17.134 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.528 -14.728 -16.347 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.733 -14.196 -18.316 1.00 0.00 O ATOM 0 H ASP A 59 0.132 -15.042 -15.540 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.467 -12.836 -16.384 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.495 -14.998 -17.494 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.145 -15.764 -16.058 1.00 0.00 H new ATOM 872 N ALA A 60 -2.046 -14.062 -13.367 1.00 0.00 N ATOM 873 CA ALA A 60 -2.724 -13.820 -12.066 1.00 0.00 C ATOM 874 C ALA A 60 -2.222 -12.487 -11.446 1.00 0.00 C ATOM 875 O ALA A 60 -3.001 -11.738 -10.845 1.00 0.00 O ATOM 876 CB ALA A 60 -2.470 -15.020 -11.133 1.00 0.00 C ATOM 0 H ALA A 60 -1.323 -14.781 -13.326 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.800 -13.725 -12.214 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.965 -14.849 -10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.867 -15.926 -11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.398 -15.135 -10.971 1.00 0.00 H new ATOM 882 N ILE A 61 -0.907 -12.229 -11.581 1.00 0.00 N ATOM 883 CA ILE A 61 -0.255 -11.011 -11.031 1.00 0.00 C ATOM 884 C ILE A 61 -1.097 -9.803 -11.529 1.00 0.00 C ATOM 885 O ILE A 61 -1.313 -8.839 -10.783 1.00 0.00 O ATOM 886 CB ILE A 61 1.276 -10.946 -11.397 1.00 0.00 C ATOM 887 CG1 ILE A 61 2.199 -11.376 -10.213 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.704 -9.550 -11.925 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.214 -10.323 -9.738 1.00 0.00 C ATOM 0 H ILE A 61 -0.264 -12.851 -12.071 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.245 -11.010 -9.941 1.00 0.00 H new ATOM 0 HB ILE A 61 1.406 -11.668 -12.203 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.569 -11.652 -9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.745 -12.271 -10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.768 -9.561 -12.162 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.135 -9.310 -12.823 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.510 -8.797 -11.161 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.801 -10.729 -8.914 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.878 -10.061 -10.561 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.684 -9.432 -9.402 1.00 0.00 H new ATOM 901 N ILE A 62 -1.558 -9.871 -12.792 1.00 0.00 N ATOM 902 CA ILE A 62 -2.287 -8.760 -13.463 1.00 0.00 C ATOM 903 C ILE A 62 -3.760 -8.853 -12.981 1.00 0.00 C ATOM 904 O ILE A 62 -4.431 -7.828 -12.810 1.00 0.00 O ATOM 905 CB ILE A 62 -2.096 -8.792 -15.026 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.709 -8.233 -15.477 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.236 -8.056 -15.781 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.631 -7.723 -16.925 1.00 0.00 C ATOM 0 H ILE A 62 -1.439 -10.694 -13.382 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.888 -7.783 -13.190 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.136 -9.847 -15.295 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.433 -7.417 -14.809 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.037 -9.017 -15.347 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.055 -8.109 -16.855 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.190 -8.530 -15.551 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.265 -7.012 -15.469 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.376 -7.359 -17.129 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.868 -8.537 -17.611 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.345 -6.912 -17.064 1.00 0.00 H new ATOM 920 N GLU A 63 -4.255 -10.092 -12.791 1.00 0.00 N ATOM 921 CA GLU A 63 -5.647 -10.348 -12.331 1.00 0.00 C ATOM 922 C GLU A 63 -5.928 -9.447 -11.097 1.00 0.00 C ATOM 923 O GLU A 63 -7.057 -8.982 -10.900 1.00 0.00 O ATOM 924 CB GLU A 63 -5.863 -11.864 -12.056 1.00 0.00 C ATOM 925 CG GLU A 63 -7.322 -12.375 -12.112 1.00 0.00 C ATOM 926 CD GLU A 63 -8.365 -11.348 -11.659 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.679 -11.298 -10.449 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.872 -10.585 -12.510 1.00 0.00 O ATOM 0 H GLU A 63 -3.712 -10.941 -12.949 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.368 -10.088 -13.106 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.276 -12.429 -12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.459 -12.093 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.549 -12.681 -13.133 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.408 -13.264 -11.487 1.00 0.00 H new ATOM 935 N GLU A 64 -4.893 -9.239 -10.263 1.00 0.00 N ATOM 936 CA GLU A 64 -5.003 -8.437 -9.016 1.00 0.00 C ATOM 937 C GLU A 64 -5.690 -7.088 -9.360 1.00 0.00 C ATOM 938 O GLU A 64 -6.886 -6.905 -9.103 1.00 0.00 O ATOM 939 CB GLU A 64 -3.604 -8.274 -8.356 1.00 0.00 C ATOM 940 CG GLU A 64 -3.392 -7.010 -7.489 1.00 0.00 C ATOM 941 CD GLU A 64 -2.976 -7.303 -6.044 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.452 -8.306 -5.468 1.00 0.00 O ATOM 943 OE2 GLU A 64 -2.168 -6.533 -5.479 1.00 0.00 O ATOM 0 H GLU A 64 -3.960 -9.616 -10.427 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.622 -8.943 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.416 -9.149 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.852 -8.276 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.629 -6.387 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.315 -6.431 -7.479 1.00 0.00 H new ATOM 950 N VAL A 65 -4.922 -6.165 -9.969 1.00 0.00 N ATOM 951 CA VAL A 65 -5.403 -4.798 -10.306 1.00 0.00 C ATOM 952 C VAL A 65 -5.880 -4.823 -11.784 1.00 0.00 C ATOM 953 O VAL A 65 -5.125 -4.460 -12.696 1.00 0.00 O ATOM 954 CB VAL A 65 -4.317 -3.704 -10.009 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.866 -4.144 -10.328 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.588 -2.372 -10.750 1.00 0.00 C ATOM 0 H VAL A 65 -3.955 -6.338 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.242 -4.516 -9.671 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.403 -3.556 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.179 -3.330 -10.094 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.611 -5.018 -9.729 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.786 -4.394 -11.386 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.805 -1.654 -10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.596 -2.549 -11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.554 -1.974 -10.441 1.00 0.00 H new ATOM 966 N ASP A 66 -7.136 -5.254 -12.007 1.00 0.00 N ATOM 967 CA ASP A 66 -7.735 -5.335 -13.366 1.00 0.00 C ATOM 968 C ASP A 66 -9.281 -5.383 -13.225 1.00 0.00 C ATOM 969 O ASP A 66 -9.901 -6.437 -13.409 1.00 0.00 O ATOM 970 CB ASP A 66 -7.168 -6.539 -14.172 1.00 0.00 C ATOM 971 CG ASP A 66 -6.244 -6.188 -15.351 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.033 -5.970 -15.126 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.729 -6.123 -16.503 1.00 0.00 O ATOM 0 H ASP A 66 -7.765 -5.555 -11.262 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.465 -4.449 -13.941 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.619 -7.183 -13.486 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.006 -7.121 -14.554 1.00 0.00 H new ATOM 978 N GLU A 67 -9.885 -4.217 -12.925 1.00 0.00 N ATOM 979 CA GLU A 67 -11.360 -4.065 -12.812 1.00 0.00 C ATOM 980 C GLU A 67 -11.968 -4.048 -14.241 1.00 0.00 C ATOM 981 O GLU A 67 -13.117 -4.462 -14.441 1.00 0.00 O ATOM 982 CB GLU A 67 -11.713 -2.803 -11.972 1.00 0.00 C ATOM 983 CG GLU A 67 -11.922 -3.022 -10.454 1.00 0.00 C ATOM 984 CD GLU A 67 -10.622 -3.174 -9.658 1.00 0.00 C ATOM 985 OE1 GLU A 67 -9.567 -2.688 -10.123 1.00 0.00 O ATOM 986 OE2 GLU A 67 -10.649 -3.782 -8.565 1.00 0.00 O ATOM 0 H GLU A 67 -9.371 -3.353 -12.753 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.798 -4.908 -12.277 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.917 -2.071 -12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.622 -2.363 -12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.486 -2.181 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.531 -3.914 -10.307 1.00 0.00 H new ATOM 993 N ASP A 68 -11.195 -3.539 -15.221 1.00 0.00 N ATOM 994 CA ASP A 68 -11.630 -3.468 -16.643 1.00 0.00 C ATOM 995 C ASP A 68 -11.404 -4.855 -17.303 1.00 0.00 C ATOM 996 O ASP A 68 -12.155 -5.265 -18.196 1.00 0.00 O ATOM 997 CB ASP A 68 -10.919 -2.317 -17.415 1.00 0.00 C ATOM 998 CG ASP A 68 -9.473 -2.010 -16.988 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.569 -2.824 -17.279 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.241 -0.957 -16.354 1.00 0.00 O ATOM 0 H ASP A 68 -10.259 -3.167 -15.059 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.692 -3.228 -16.684 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.918 -2.565 -18.476 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.511 -1.409 -17.300 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.376 -5.587 -16.829 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.061 -6.948 -17.334 1.00 0.00 C ATOM 1007 C GLY A 69 -9.639 -6.884 -18.825 1.00 0.00 C ATOM 1008 O GLY A 69 -9.962 -7.784 -19.612 1.00 0.00 O ATOM 0 H GLY A 69 -9.746 -5.262 -16.096 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.259 -7.387 -16.740 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.931 -7.595 -17.223 1.00 0.00 H new ATOM 1012 N SER A 70 -8.915 -5.810 -19.193 1.00 0.00 N ATOM 1013 CA SER A 70 -8.355 -5.631 -20.559 1.00 0.00 C ATOM 1014 C SER A 70 -7.254 -6.694 -20.819 1.00 0.00 C ATOM 1015 O SER A 70 -7.086 -7.180 -21.943 1.00 0.00 O ATOM 1016 CB SER A 70 -7.827 -4.186 -20.713 1.00 0.00 C ATOM 1017 OG SER A 70 -6.939 -3.841 -19.654 1.00 0.00 O ATOM 0 H SER A 70 -8.699 -5.041 -18.559 1.00 0.00 H new ATOM 0 HA SER A 70 -9.131 -5.780 -21.309 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.312 -4.085 -21.669 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.666 -3.490 -20.728 1.00 0.00 H new ATOM 0 HG SER A 70 -7.455 -3.512 -18.888 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.513 -7.061 -19.753 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.435 -8.079 -19.838 1.00 0.00 C ATOM 1025 C GLY A 71 -4.046 -7.390 -19.862 1.00 0.00 C ATOM 1026 O GLY A 71 -3.059 -7.939 -19.356 1.00 0.00 O ATOM 0 H GLY A 71 -6.639 -6.669 -18.820 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.498 -8.757 -18.987 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.565 -8.682 -20.736 1.00 0.00 H new ATOM 1030 N THR A 72 -3.992 -6.183 -20.458 1.00 0.00 N ATOM 1031 CA THR A 72 -2.763 -5.347 -20.506 1.00 0.00 C ATOM 1032 C THR A 72 -2.933 -4.151 -19.529 1.00 0.00 C ATOM 1033 O THR A 72 -4.059 -3.712 -19.261 1.00 0.00 O ATOM 1034 CB THR A 72 -2.417 -4.894 -21.960 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.605 -4.618 -22.698 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.573 -5.893 -22.774 1.00 0.00 C ATOM 0 H THR A 72 -4.794 -5.755 -20.921 1.00 0.00 H new ATOM 0 HA THR A 72 -1.909 -5.942 -20.183 1.00 0.00 H new ATOM 0 HB THR A 72 -1.809 -4.000 -21.822 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.368 -4.334 -23.606 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.387 -5.487 -23.768 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.623 -6.064 -22.268 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.111 -6.837 -22.863 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.807 -3.635 -19.002 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.795 -2.493 -18.050 1.00 0.00 C ATOM 1046 C ILE A 73 -1.521 -1.215 -18.890 1.00 0.00 C ATOM 1047 O ILE A 73 -0.987 -1.283 -20.005 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.785 -2.729 -16.863 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.196 -3.927 -15.949 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.567 -1.454 -16.003 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.301 -4.172 -14.723 1.00 0.00 C ATOM 0 H ILE A 73 -0.877 -3.993 -19.220 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.753 -2.380 -17.543 1.00 0.00 H new ATOM 0 HB ILE A 73 0.161 -2.981 -17.341 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.216 -3.762 -15.603 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.207 -4.834 -16.554 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.137 -1.673 -15.200 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.167 -0.657 -16.629 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.518 -1.137 -15.575 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.679 -5.026 -14.161 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.718 -4.376 -15.051 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.307 -3.288 -14.086 1.00 0.00 H new ATOM 1063 N ASP A 74 -1.865 -0.041 -18.324 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.664 1.276 -18.987 1.00 0.00 C ATOM 1065 C ASP A 74 -1.284 2.333 -17.913 1.00 0.00 C ATOM 1066 O ASP A 74 -1.174 2.029 -16.716 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.911 1.694 -19.820 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.252 1.075 -19.388 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.578 -0.042 -19.846 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.984 1.709 -18.596 1.00 0.00 O ATOM 0 H ASP A 74 -2.289 0.028 -17.399 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.844 1.201 -19.701 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.004 2.779 -19.777 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.731 1.431 -20.862 1.00 0.00 H new ATOM 1075 N PHE A 75 -1.054 3.583 -18.362 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.633 4.701 -17.473 1.00 0.00 C ATOM 1077 C PHE A 75 -1.850 5.146 -16.617 1.00 0.00 C ATOM 1078 O PHE A 75 -1.690 5.588 -15.473 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.047 5.875 -18.312 1.00 0.00 C ATOM 1080 CG PHE A 75 0.841 6.863 -17.530 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.627 6.418 -16.459 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.862 8.219 -17.876 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.402 7.319 -15.734 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.640 9.118 -17.149 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.402 8.669 -16.074 1.00 0.00 C ATOM 0 H PHE A 75 -1.152 3.852 -19.341 1.00 0.00 H new ATOM 0 HA PHE A 75 0.159 4.369 -16.802 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.537 5.458 -19.132 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.873 6.429 -18.758 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.632 5.371 -16.195 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.273 8.570 -18.710 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.003 6.971 -14.907 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.652 10.163 -17.420 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.994 9.369 -15.503 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.059 5.049 -17.200 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.313 5.534 -16.564 1.00 0.00 C ATOM 1097 C GLU A 76 -4.698 4.594 -15.388 1.00 0.00 C ATOM 1098 O GLU A 76 -5.170 5.056 -14.342 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.454 5.671 -17.615 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.477 6.944 -18.497 1.00 0.00 C ATOM 1101 CD GLU A 76 -5.561 6.665 -20.001 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -6.678 6.422 -20.510 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -4.510 6.685 -20.680 1.00 0.00 O ATOM 0 H GLU A 76 -3.202 4.635 -18.121 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.151 6.531 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.405 4.806 -18.277 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.405 5.614 -17.086 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.328 7.559 -18.205 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.578 7.527 -18.297 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.461 3.282 -15.569 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.823 2.237 -14.574 1.00 0.00 C ATOM 1112 C GLU A 77 -3.712 2.122 -13.494 1.00 0.00 C ATOM 1113 O GLU A 77 -3.995 1.798 -12.333 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.095 0.865 -15.259 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.787 -0.397 -14.419 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.358 -1.679 -15.030 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.475 -1.638 -15.589 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.690 -2.734 -14.954 1.00 0.00 O ATOM 0 H GLU A 77 -4.014 2.909 -16.406 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.750 2.536 -14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.144 0.832 -15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.506 0.818 -16.175 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.707 -0.501 -14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.194 -0.267 -13.416 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.452 2.376 -13.893 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.278 2.296 -12.984 1.00 0.00 C ATOM 1127 C PHE A 78 -1.432 3.359 -11.863 1.00 0.00 C ATOM 1128 O PHE A 78 -1.107 3.100 -10.698 1.00 0.00 O ATOM 1129 CB PHE A 78 0.048 2.466 -13.789 1.00 0.00 C ATOM 1130 CG PHE A 78 1.332 2.077 -13.028 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.249 1.381 -11.817 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.592 2.370 -13.564 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.406 0.987 -11.151 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.749 1.981 -12.892 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.655 1.288 -11.687 1.00 0.00 C ATOM 0 H PHE A 78 -2.213 2.642 -14.848 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.233 1.313 -12.514 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.015 1.863 -14.695 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.132 3.506 -14.104 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.282 1.148 -11.397 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.667 2.900 -14.502 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.335 0.448 -10.218 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.719 2.217 -13.305 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.552 0.984 -11.168 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.911 4.560 -12.239 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.014 5.720 -11.315 1.00 0.00 C ATOM 1147 C LEU A 79 -3.210 5.483 -10.352 1.00 0.00 C ATOM 1148 O LEU A 79 -3.200 5.961 -9.210 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.172 7.050 -12.112 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.025 7.440 -13.090 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.474 8.466 -14.150 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.201 7.979 -12.326 1.00 0.00 C ATOM 0 H LEU A 79 -2.237 4.759 -13.185 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.099 5.811 -10.730 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.098 6.992 -12.685 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.292 7.861 -11.394 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.746 6.525 -13.612 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.636 8.703 -14.805 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.289 8.047 -14.740 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.815 9.375 -13.655 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.985 8.243 -13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.085 8.863 -11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.571 7.213 -11.645 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.243 4.766 -10.833 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.466 4.462 -10.040 1.00 0.00 C ATOM 1166 C VAL A 80 -5.047 3.554 -8.852 1.00 0.00 C ATOM 1167 O VAL A 80 -5.444 3.798 -7.704 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.605 3.850 -10.932 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.594 2.302 -10.938 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -8.031 4.319 -10.551 1.00 0.00 C ATOM 0 H VAL A 80 -4.261 4.379 -11.777 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.901 5.378 -9.641 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.373 4.228 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.402 1.935 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.640 1.946 -11.326 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.732 1.933 -9.922 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.758 3.850 -11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.244 4.034 -9.521 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.096 5.403 -10.649 1.00 0.00 H new ATOM 1180 N MET A 81 -4.271 2.496 -9.147 1.00 0.00 N ATOM 1181 CA MET A 81 -3.793 1.520 -8.130 1.00 0.00 C ATOM 1182 C MET A 81 -2.987 2.295 -7.051 1.00 0.00 C ATOM 1183 O MET A 81 -3.311 2.236 -5.859 1.00 0.00 O ATOM 1184 CB MET A 81 -2.955 0.384 -8.784 1.00 0.00 C ATOM 1185 CG MET A 81 -1.455 0.370 -8.436 1.00 0.00 C ATOM 1186 SD MET A 81 -0.731 -1.225 -8.880 1.00 0.00 S ATOM 1187 CE MET A 81 1.029 -0.827 -8.879 1.00 0.00 C ATOM 0 H MET A 81 -3.954 2.287 -10.093 1.00 0.00 H new ATOM 0 HA MET A 81 -4.644 1.030 -7.657 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.385 -0.574 -8.491 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.056 0.461 -9.867 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.943 1.172 -8.968 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.319 0.556 -7.371 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.492 -1.224 -9.782 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.157 0.255 -8.851 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.502 -1.271 -8.003 1.00 0.00 H new ATOM 1197 N MET A 82 -1.918 2.987 -7.487 1.00 0.00 N ATOM 1198 CA MET A 82 -0.977 3.685 -6.570 1.00 0.00 C ATOM 1199 C MET A 82 -1.745 4.729 -5.712 1.00 0.00 C ATOM 1200 O MET A 82 -1.314 5.060 -4.599 1.00 0.00 O ATOM 1201 CB MET A 82 0.177 4.335 -7.385 1.00 0.00 C ATOM 1202 CG MET A 82 1.401 3.434 -7.641 1.00 0.00 C ATOM 1203 SD MET A 82 2.632 3.626 -6.330 1.00 0.00 S ATOM 1204 CE MET A 82 3.681 2.183 -6.599 1.00 0.00 C ATOM 0 H MET A 82 -1.677 3.082 -8.474 1.00 0.00 H new ATOM 0 HA MET A 82 -0.530 2.964 -5.886 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.220 4.660 -8.347 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.510 5.229 -6.859 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.085 2.392 -7.698 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.847 3.685 -8.603 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.483 2.174 -5.861 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.085 1.276 -6.499 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.110 2.226 -7.600 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.857 5.263 -6.251 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.634 6.358 -5.611 1.00 0.00 C ATOM 1216 C VAL A 83 -4.262 5.795 -4.307 1.00 0.00 C ATOM 1217 O VAL A 83 -4.244 6.459 -3.262 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.683 6.988 -6.597 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.122 7.068 -6.030 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.277 8.401 -7.079 1.00 0.00 C ATOM 0 H VAL A 83 -3.247 4.953 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.979 7.190 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.684 6.293 -7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.782 7.515 -6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.474 6.065 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.124 7.680 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.038 8.787 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.186 9.066 -6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.321 8.347 -7.600 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.841 4.583 -4.391 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.594 3.953 -3.274 1.00 0.00 C ATOM 1232 C ARG A 84 -4.616 3.713 -2.091 1.00 0.00 C ATOM 1233 O ARG A 84 -4.981 3.906 -0.923 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.251 2.622 -3.741 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.620 2.780 -4.441 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.953 1.598 -5.372 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.438 0.418 -4.614 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.733 0.056 -4.506 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -10.591 0.281 -5.491 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -10.184 -0.550 -3.416 1.00 0.00 N ATOM 0 H ARG A 84 -4.804 4.007 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.398 4.613 -2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.567 2.116 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.376 1.972 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.401 2.873 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.623 3.704 -5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.712 1.905 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.066 1.324 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.743 -0.160 -4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.276 0.735 -6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.567 0.000 -5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.549 -0.749 -2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.166 -0.817 -3.350 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.387 3.266 -2.406 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.377 2.873 -1.385 1.00 0.00 C ATOM 1256 C GLN A 85 -1.822 4.154 -0.706 1.00 0.00 C ATOM 1257 O GLN A 85 -1.464 4.136 0.478 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.258 2.016 -2.044 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.622 0.545 -2.359 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.605 -0.489 -1.846 1.00 0.00 C ATOM 1261 OE1 GLN A 85 0.018 -1.212 -2.623 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.417 -0.586 -0.538 1.00 0.00 N ATOM 0 H GLN A 85 -3.059 3.164 -3.367 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.835 2.254 -0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.957 2.501 -2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.390 2.021 -1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.596 0.324 -1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.722 0.432 -3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.938 0.018 0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.249 -1.264 -0.167 1.00 0.00 H new ATOM 1271 N MET A 86 -1.743 5.256 -1.474 1.00 0.00 N ATOM 1272 CA MET A 86 -1.137 6.535 -1.019 1.00 0.00 C ATOM 1273 C MET A 86 -2.055 7.134 0.081 1.00 0.00 C ATOM 1274 O MET A 86 -1.570 7.706 1.064 1.00 0.00 O ATOM 1275 CB MET A 86 -0.919 7.508 -2.218 1.00 0.00 C ATOM 1276 CG MET A 86 -1.903 8.692 -2.276 1.00 0.00 C ATOM 1277 SD MET A 86 -1.287 9.982 -3.375 1.00 0.00 S ATOM 1278 CE MET A 86 -2.465 9.884 -4.738 1.00 0.00 C ATOM 0 H MET A 86 -2.096 5.292 -2.430 1.00 0.00 H new ATOM 0 HA MET A 86 -0.147 6.363 -0.597 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.097 7.900 -2.170 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.998 6.942 -3.146 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.876 8.345 -2.624 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.049 9.099 -1.275 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.000 9.381 -5.586 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.343 9.322 -4.420 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.765 10.890 -5.033 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.381 7.015 -0.121 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.401 7.531 0.829 1.00 0.00 C ATOM 1290 C LYS A 87 -4.011 7.082 2.264 1.00 0.00 C ATOM 1291 O LYS A 87 -3.457 5.993 2.455 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.828 7.017 0.486 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.456 7.603 -0.800 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.985 7.802 -0.749 1.00 0.00 C ATOM 1295 CE LYS A 87 -8.442 9.256 -0.513 1.00 0.00 C ATOM 1296 NZ LYS A 87 -8.776 9.928 -1.781 1.00 0.00 N ATOM 0 H LYS A 87 -3.780 6.561 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.423 8.618 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.791 5.932 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.487 7.240 1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.987 8.564 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.219 6.944 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.414 7.449 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.392 7.175 0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.312 9.263 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.653 9.809 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.355 10.769 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.900 10.215 -2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.309 9.275 -2.390 1.00 0.00 H new