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= -3.65! C(o=-3.6!,f=-2.5!) USER MOD Single : A 7 GLN : amide:sc= -0.391 K(o=-0.39,f=-4.3!) 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+ 161:sc=-0.00115 (180deg=-0.628) USER MOD Single : A 28 MET CE :methyl 145:sc= -5.56! (180deg=-7.79!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0489 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 158:sc= -0.0192 (180deg=-0.879) USER MOD Single : A 48 MET CE :methyl 164:sc=-0.00871 (180deg=-0.111) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 52 ASN : amide:sc= -0.0121 K(o=-0.012,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 70 SER OG : rot -85:sc= 0.361 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -172:sc= -0.296 (180deg=-0.47) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.022) USER MOD Single : A 86 MET CE :methyl 144:sc= -5.52! (180deg=-9.44!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -14.799 8.175 -11.656 1.00 0.00 N ATOM 56 CA ASP A 5 -15.038 7.085 -10.669 1.00 0.00 C ATOM 57 C ASP A 5 -13.842 7.027 -9.681 1.00 0.00 C ATOM 58 O ASP A 5 -13.284 8.065 -9.297 1.00 0.00 O ATOM 59 CB ASP A 5 -15.310 5.732 -11.390 1.00 0.00 C ATOM 60 CG ASP A 5 -16.194 5.801 -12.647 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.433 5.907 -12.509 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.651 5.757 -13.773 1.00 0.00 O ATOM 0 HA ASP A 5 -15.936 7.293 -10.088 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.352 5.293 -11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.778 5.052 -10.678 1.00 0.00 H new ATOM 67 N GLN A 6 -13.475 5.807 -9.249 1.00 0.00 N ATOM 68 CA GLN A 6 -12.326 5.573 -8.330 1.00 0.00 C ATOM 69 C GLN A 6 -11.097 6.345 -8.883 1.00 0.00 C ATOM 70 O GLN A 6 -10.314 6.919 -8.117 1.00 0.00 O ATOM 71 CB GLN A 6 -12.054 4.050 -8.177 1.00 0.00 C ATOM 72 CG GLN A 6 -10.925 3.464 -9.059 1.00 0.00 C ATOM 73 CD GLN A 6 -10.465 2.053 -8.651 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.148 1.348 -7.909 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.310 1.610 -9.125 1.00 0.00 N ATOM 0 H GLN A 6 -13.960 4.952 -9.521 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.549 5.945 -7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.813 3.849 -7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.976 3.513 -8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.267 3.436 -10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.068 4.136 -9.024 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.750 2.201 -9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.980 0.678 -8.875 1.00 0.00 H new ATOM 84 N GLN A 7 -10.943 6.338 -10.220 1.00 0.00 N ATOM 85 CA GLN A 7 -9.778 6.953 -10.909 1.00 0.00 C ATOM 86 C GLN A 7 -9.808 8.485 -10.655 1.00 0.00 C ATOM 87 O GLN A 7 -8.765 9.104 -10.409 1.00 0.00 O ATOM 88 CB GLN A 7 -9.806 6.670 -12.438 1.00 0.00 C ATOM 89 CG GLN A 7 -9.103 5.374 -12.903 1.00 0.00 C ATOM 90 CD GLN A 7 -9.811 4.715 -14.098 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.207 4.472 -15.143 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.094 4.410 -13.976 1.00 0.00 N ATOM 0 H GLN A 7 -11.615 5.910 -10.856 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.862 6.517 -10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.846 6.631 -12.761 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.345 7.514 -12.952 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.073 5.602 -13.176 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.064 4.668 -12.073 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.586 4.615 -13.107 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.590 3.970 -14.751 1.00 0.00 H new ATOM 101 N ALA A 8 -11.013 9.080 -10.719 1.00 0.00 N ATOM 102 CA ALA A 8 -11.211 10.539 -10.503 1.00 0.00 C ATOM 103 C ALA A 8 -10.566 10.983 -9.160 1.00 0.00 C ATOM 104 O ALA A 8 -10.158 12.141 -9.012 1.00 0.00 O ATOM 105 CB ALA A 8 -12.720 10.851 -10.543 1.00 0.00 C ATOM 0 H ALA A 8 -11.876 8.574 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.718 11.102 -11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.875 11.918 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.125 10.565 -11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.228 10.291 -9.758 1.00 0.00 H new ATOM 111 N GLU A 9 -10.513 10.058 -8.184 1.00 0.00 N ATOM 112 CA GLU A 9 -10.018 10.345 -6.811 1.00 0.00 C ATOM 113 C GLU A 9 -8.514 10.727 -6.871 1.00 0.00 C ATOM 114 O GLU A 9 -8.088 11.711 -6.253 1.00 0.00 O ATOM 115 CB GLU A 9 -10.265 9.147 -5.846 1.00 0.00 C ATOM 116 CG GLU A 9 -11.723 8.925 -5.381 1.00 0.00 C ATOM 117 CD GLU A 9 -11.863 7.783 -4.372 1.00 0.00 C ATOM 118 OE1 GLU A 9 -11.007 6.870 -4.367 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.827 7.793 -3.575 1.00 0.00 O ATOM 0 H GLU A 9 -10.810 9.091 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.580 11.188 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.921 8.237 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.643 9.287 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.100 9.845 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.347 8.713 -6.249 1.00 0.00 H new ATOM 126 N ALA A 10 -7.716 9.922 -7.597 1.00 0.00 N ATOM 127 CA ALA A 10 -6.238 10.079 -7.658 1.00 0.00 C ATOM 128 C ALA A 10 -5.857 11.387 -8.405 1.00 0.00 C ATOM 129 O ALA A 10 -4.813 11.989 -8.127 1.00 0.00 O ATOM 130 CB ALA A 10 -5.631 8.835 -8.335 1.00 0.00 C ATOM 0 H ALA A 10 -8.068 9.146 -8.158 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.832 10.160 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.547 8.940 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.883 7.946 -7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.033 8.737 -9.344 1.00 0.00 H new ATOM 136 N ARG A 11 -6.702 11.791 -9.371 1.00 0.00 N ATOM 137 CA ARG A 11 -6.432 12.951 -10.263 1.00 0.00 C ATOM 138 C ARG A 11 -6.654 14.255 -9.449 1.00 0.00 C ATOM 139 O ARG A 11 -5.850 15.191 -9.527 1.00 0.00 O ATOM 140 CB ARG A 11 -7.352 12.904 -11.516 1.00 0.00 C ATOM 141 CG ARG A 11 -7.784 11.487 -11.960 1.00 0.00 C ATOM 142 CD ARG A 11 -8.071 11.399 -13.471 1.00 0.00 C ATOM 143 NE ARG A 11 -8.995 12.471 -13.920 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.673 13.447 -14.793 1.00 0.00 C ATOM 145 NH1 ARG A 11 -7.439 13.929 -14.858 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.594 13.998 -15.572 1.00 0.00 N ATOM 0 H ARG A 11 -7.591 11.329 -9.561 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.403 12.918 -10.620 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.247 13.493 -11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.835 13.386 -12.346 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.000 10.775 -11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.676 11.194 -11.407 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.134 11.471 -14.024 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.503 10.426 -13.703 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.942 12.469 -13.541 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.715 13.561 -14.241 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.214 14.667 -15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.563 13.685 -15.516 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.333 14.735 -16.227 1.00 0.00 H new ATOM 160 N ALA A 12 -7.757 14.298 -8.677 1.00 0.00 N ATOM 161 CA ALA A 12 -8.173 15.513 -7.925 1.00 0.00 C ATOM 162 C ALA A 12 -7.191 15.776 -6.752 1.00 0.00 C ATOM 163 O ALA A 12 -7.002 16.925 -6.333 1.00 0.00 O ATOM 164 CB ALA A 12 -9.623 15.336 -7.431 1.00 0.00 C ATOM 0 H ALA A 12 -8.384 13.503 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.141 16.385 -8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.931 16.225 -6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.284 15.193 -8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.681 14.465 -6.778 1.00 0.00 H new ATOM 170 N PHE A 13 -6.598 14.695 -6.210 1.00 0.00 N ATOM 171 CA PHE A 13 -5.665 14.777 -5.055 1.00 0.00 C ATOM 172 C PHE A 13 -4.269 15.251 -5.546 1.00 0.00 C ATOM 173 O PHE A 13 -3.641 16.115 -4.923 1.00 0.00 O ATOM 174 CB PHE A 13 -5.626 13.398 -4.336 1.00 0.00 C ATOM 175 CG PHE A 13 -4.554 13.266 -3.235 1.00 0.00 C ATOM 176 CD1 PHE A 13 -4.213 14.371 -2.446 1.00 0.00 C ATOM 177 CD2 PHE A 13 -3.899 12.046 -3.025 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.226 14.260 -1.470 1.00 0.00 C ATOM 179 CE2 PHE A 13 -2.912 11.939 -2.048 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.573 13.046 -1.275 1.00 0.00 C ATOM 0 H PHE A 13 -6.746 13.746 -6.552 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.007 15.512 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.604 13.208 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.457 12.621 -5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.718 15.314 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.160 11.185 -3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.967 15.116 -0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.409 10.996 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.802 12.963 -0.523 1.00 0.00 H new ATOM 190 N LEU A 14 -3.804 14.668 -6.666 1.00 0.00 N ATOM 191 CA LEU A 14 -2.445 14.920 -7.213 1.00 0.00 C ATOM 192 C LEU A 14 -2.563 16.019 -8.304 1.00 0.00 C ATOM 193 O LEU A 14 -3.665 16.486 -8.614 1.00 0.00 O ATOM 194 CB LEU A 14 -1.819 13.608 -7.776 1.00 0.00 C ATOM 195 CG LEU A 14 -1.974 12.316 -6.922 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.997 11.036 -7.783 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.863 12.213 -5.859 1.00 0.00 C ATOM 0 H LEU A 14 -4.352 14.010 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.777 15.264 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.258 13.419 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.754 13.783 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.939 12.396 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.107 10.165 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.835 11.080 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.065 10.957 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.998 11.300 -5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.110 12.190 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.914 13.076 -5.195 1.00 0.00 H new ATOM 209 N SER A 15 -1.410 16.422 -8.870 1.00 0.00 N ATOM 210 CA SER A 15 -1.351 17.390 -9.997 1.00 0.00 C ATOM 211 C SER A 15 -0.381 16.865 -11.090 1.00 0.00 C ATOM 212 O SER A 15 -0.130 15.658 -11.185 1.00 0.00 O ATOM 213 CB SER A 15 -0.936 18.780 -9.461 1.00 0.00 C ATOM 214 OG SER A 15 0.446 18.815 -9.119 1.00 0.00 O ATOM 0 H SER A 15 -0.494 16.092 -8.566 1.00 0.00 H new ATOM 0 HA SER A 15 -2.333 17.494 -10.458 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.145 19.539 -10.215 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.535 19.027 -8.585 1.00 0.00 H new ATOM 0 HG SER A 15 0.678 19.707 -8.785 1.00 0.00 H new ATOM 220 N GLU A 16 0.160 17.791 -11.903 1.00 0.00 N ATOM 221 CA GLU A 16 1.112 17.457 -12.997 1.00 0.00 C ATOM 222 C GLU A 16 2.539 17.332 -12.395 1.00 0.00 C ATOM 223 O GLU A 16 3.334 16.493 -12.836 1.00 0.00 O ATOM 224 CB GLU A 16 1.009 18.507 -14.140 1.00 0.00 C ATOM 225 CG GLU A 16 1.363 18.016 -15.563 1.00 0.00 C ATOM 226 CD GLU A 16 1.646 19.142 -16.563 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.879 20.129 -16.596 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.635 19.042 -17.323 1.00 0.00 O ATOM 0 H GLU A 16 -0.044 18.788 -11.827 1.00 0.00 H new ATOM 0 HA GLU A 16 0.863 16.498 -13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.010 18.894 -14.156 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.664 19.343 -13.895 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.238 17.368 -15.505 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.541 17.408 -15.941 1.00 0.00 H new ATOM 235 N GLU A 17 2.838 18.180 -11.388 1.00 0.00 N ATOM 236 CA GLU A 17 4.197 18.258 -10.782 1.00 0.00 C ATOM 237 C GLU A 17 4.416 16.985 -9.920 1.00 0.00 C ATOM 238 O GLU A 17 5.485 16.365 -9.973 1.00 0.00 O ATOM 239 CB GLU A 17 4.385 19.584 -9.987 1.00 0.00 C ATOM 240 CG GLU A 17 5.840 20.063 -9.774 1.00 0.00 C ATOM 241 CD GLU A 17 6.066 21.544 -10.096 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.842 22.397 -9.209 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.465 21.860 -11.239 1.00 0.00 O ATOM 0 H GLU A 17 2.162 18.822 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 17 4.963 18.282 -11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.839 20.372 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.919 19.464 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.123 19.881 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.503 19.462 -10.396 1.00 0.00 H new ATOM 250 N MET A 18 3.382 16.597 -9.151 1.00 0.00 N ATOM 251 CA MET A 18 3.428 15.398 -8.273 1.00 0.00 C ATOM 252 C MET A 18 3.441 14.141 -9.186 1.00 0.00 C ATOM 253 O MET A 18 4.126 13.154 -8.891 1.00 0.00 O ATOM 254 CB MET A 18 2.244 15.383 -7.266 1.00 0.00 C ATOM 255 CG MET A 18 2.115 16.623 -6.362 1.00 0.00 C ATOM 256 SD MET A 18 1.073 16.246 -4.936 1.00 0.00 S ATOM 257 CE MET A 18 -0.203 17.514 -5.085 1.00 0.00 C ATOM 0 H MET A 18 2.494 17.097 -9.116 1.00 0.00 H new ATOM 0 HA MET A 18 4.331 15.412 -7.662 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.317 15.268 -7.827 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.344 14.503 -6.631 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.102 16.942 -6.027 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.687 17.451 -6.926 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.920 17.407 -4.271 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.257 18.501 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.718 17.401 -6.039 1.00 0.00 H new ATOM 267 N ILE A 19 2.675 14.197 -10.291 1.00 0.00 N ATOM 268 CA ILE A 19 2.489 13.047 -11.216 1.00 0.00 C ATOM 269 C ILE A 19 3.899 12.689 -11.761 1.00 0.00 C ATOM 270 O ILE A 19 4.190 11.515 -12.020 1.00 0.00 O ATOM 271 CB ILE A 19 1.409 13.348 -12.322 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.019 12.862 -11.917 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.795 12.763 -13.707 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.369 12.980 -10.424 1.00 0.00 C ATOM 0 H ILE A 19 2.166 15.035 -10.573 1.00 0.00 H new ATOM 0 HA ILE A 19 2.078 12.177 -10.705 1.00 0.00 H new ATOM 0 HB ILE A 19 1.384 14.434 -12.408 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.752 13.432 -12.488 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.125 11.819 -12.214 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.016 13.000 -14.432 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.740 13.197 -14.035 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.901 11.681 -13.628 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.382 12.615 -10.258 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.332 12.385 -9.838 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.305 14.024 -10.117 1.00 0.00 H new ATOM 286 N ALA A 20 4.751 13.711 -11.962 1.00 0.00 N ATOM 287 CA ALA A 20 6.104 13.538 -12.556 1.00 0.00 C ATOM 288 C ALA A 20 6.920 12.493 -11.748 1.00 0.00 C ATOM 289 O ALA A 20 7.642 11.671 -12.328 1.00 0.00 O ATOM 290 CB ALA A 20 6.811 14.907 -12.601 1.00 0.00 C ATOM 0 H ALA A 20 4.530 14.677 -11.721 1.00 0.00 H new ATOM 0 HA ALA A 20 6.018 13.159 -13.574 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.804 14.790 -13.035 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.228 15.598 -13.210 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.902 15.303 -11.590 1.00 0.00 H new ATOM 296 N GLU A 21 6.818 12.559 -10.408 1.00 0.00 N ATOM 297 CA GLU A 21 7.618 11.706 -9.490 1.00 0.00 C ATOM 298 C GLU A 21 7.322 10.217 -9.819 1.00 0.00 C ATOM 299 O GLU A 21 8.237 9.389 -9.894 1.00 0.00 O ATOM 300 CB GLU A 21 7.326 12.087 -8.010 1.00 0.00 C ATOM 301 CG GLU A 21 7.956 13.404 -7.498 1.00 0.00 C ATOM 302 CD GLU A 21 8.032 13.512 -5.972 1.00 0.00 C ATOM 303 OE1 GLU A 21 8.186 12.470 -5.298 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.942 14.641 -5.440 1.00 0.00 O ATOM 0 H GLU A 21 6.185 13.198 -9.927 1.00 0.00 H new ATOM 0 HA GLU A 21 8.686 11.869 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.246 12.153 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.673 11.273 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.962 13.496 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.377 14.244 -7.882 1.00 0.00 H new ATOM 311 N PHE A 22 6.027 9.892 -9.982 1.00 0.00 N ATOM 312 CA PHE A 22 5.558 8.513 -10.278 1.00 0.00 C ATOM 313 C PHE A 22 5.908 8.153 -11.749 1.00 0.00 C ATOM 314 O PHE A 22 6.032 6.967 -12.084 1.00 0.00 O ATOM 315 CB PHE A 22 4.030 8.386 -9.993 1.00 0.00 C ATOM 316 CG PHE A 22 3.630 8.496 -8.507 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.774 9.712 -7.826 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.145 7.379 -7.816 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.489 9.793 -6.465 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.864 7.463 -6.454 1.00 0.00 C ATOM 321 CZ PHE A 22 3.062 8.662 -5.775 1.00 0.00 C ATOM 0 H PHE A 22 5.271 10.573 -9.914 1.00 0.00 H new ATOM 0 HA PHE A 22 6.065 7.802 -9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.506 9.161 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.683 7.426 -10.376 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.107 10.590 -8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.988 6.448 -8.341 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.599 10.733 -5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.493 6.598 -5.925 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.884 8.715 -4.711 1.00 0.00 H new ATOM 331 N LYS A 23 6.034 9.172 -12.619 1.00 0.00 N ATOM 332 CA LYS A 23 6.252 8.986 -14.079 1.00 0.00 C ATOM 333 C LYS A 23 7.512 8.098 -14.268 1.00 0.00 C ATOM 334 O LYS A 23 7.463 7.069 -14.952 1.00 0.00 O ATOM 335 CB LYS A 23 6.417 10.352 -14.809 1.00 0.00 C ATOM 336 CG LYS A 23 5.339 10.732 -15.852 1.00 0.00 C ATOM 337 CD LYS A 23 5.178 12.247 -16.098 1.00 0.00 C ATOM 338 CE LYS A 23 4.528 12.563 -17.457 1.00 0.00 C ATOM 339 NZ LYS A 23 3.308 11.767 -17.671 1.00 0.00 N ATOM 0 H LYS A 23 5.989 10.151 -12.337 1.00 0.00 H new ATOM 0 HA LYS A 23 5.382 8.500 -14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.447 11.137 -14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.386 10.353 -15.309 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.584 10.249 -16.798 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.381 10.328 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.572 12.678 -15.301 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.156 12.725 -16.048 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.284 13.624 -17.507 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.240 12.362 -18.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.729 12.212 -18.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.569 10.805 -17.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.763 11.722 -16.786 1.00 0.00 H new ATOM 353 N ALA A 24 8.642 8.530 -13.677 1.00 0.00 N ATOM 354 CA ALA A 24 9.956 7.856 -13.850 1.00 0.00 C ATOM 355 C ALA A 24 9.829 6.348 -13.500 1.00 0.00 C ATOM 356 O ALA A 24 10.014 5.476 -14.358 1.00 0.00 O ATOM 357 CB ALA A 24 11.006 8.564 -12.971 1.00 0.00 C ATOM 0 H ALA A 24 8.677 9.349 -13.070 1.00 0.00 H new ATOM 0 HA ALA A 24 10.280 7.922 -14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.972 8.075 -13.093 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.088 9.609 -13.272 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.701 8.510 -11.926 1.00 0.00 H new ATOM 363 N ALA A 25 9.506 6.060 -12.226 1.00 0.00 N ATOM 364 CA ALA A 25 9.430 4.671 -11.700 1.00 0.00 C ATOM 365 C ALA A 25 8.513 3.801 -12.603 1.00 0.00 C ATOM 366 O ALA A 25 8.741 2.595 -12.756 1.00 0.00 O ATOM 367 CB ALA A 25 8.928 4.713 -10.243 1.00 0.00 C ATOM 0 H ALA A 25 9.290 6.774 -11.530 1.00 0.00 H new ATOM 0 HA ALA A 25 10.419 4.212 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.869 3.698 -9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.619 5.298 -9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.940 5.172 -10.212 1.00 0.00 H new ATOM 373 N PHE A 26 7.478 4.435 -13.190 1.00 0.00 N ATOM 374 CA PHE A 26 6.447 3.722 -13.993 1.00 0.00 C ATOM 375 C PHE A 26 7.169 2.967 -15.143 1.00 0.00 C ATOM 376 O PHE A 26 6.916 1.779 -15.377 1.00 0.00 O ATOM 377 CB PHE A 26 5.362 4.703 -14.528 1.00 0.00 C ATOM 378 CG PHE A 26 4.535 4.173 -15.722 1.00 0.00 C ATOM 379 CD1 PHE A 26 4.201 2.816 -15.803 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.092 5.048 -16.720 1.00 0.00 C ATOM 381 CE1 PHE A 26 3.388 2.353 -16.835 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.281 4.582 -17.754 1.00 0.00 C ATOM 383 CZ PHE A 26 2.907 3.241 -17.794 1.00 0.00 C ATOM 0 H PHE A 26 7.328 5.442 -13.126 1.00 0.00 H new ATOM 0 HA PHE A 26 5.917 3.005 -13.366 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.681 4.947 -13.713 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.848 5.632 -14.826 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.575 2.125 -15.062 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.379 6.089 -16.689 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.131 1.306 -16.891 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.943 5.260 -18.523 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.243 2.889 -18.570 1.00 0.00 H new ATOM 393 N ASP A 27 8.075 3.674 -15.843 1.00 0.00 N ATOM 394 CA ASP A 27 8.852 3.104 -16.975 1.00 0.00 C ATOM 395 C ASP A 27 9.791 1.995 -16.425 1.00 0.00 C ATOM 396 O ASP A 27 10.051 0.997 -17.108 1.00 0.00 O ATOM 397 CB ASP A 27 9.621 4.208 -17.758 1.00 0.00 C ATOM 398 CG ASP A 27 8.958 5.596 -17.798 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.985 5.779 -18.562 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.414 6.506 -17.071 1.00 0.00 O ATOM 0 H ASP A 27 8.293 4.651 -15.647 1.00 0.00 H new ATOM 0 HA ASP A 27 8.171 2.656 -17.699 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.612 4.314 -17.317 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.763 3.866 -18.783 1.00 0.00 H new ATOM 405 N MET A 28 10.313 2.204 -15.200 1.00 0.00 N ATOM 406 CA MET A 28 11.234 1.240 -14.537 1.00 0.00 C ATOM 407 C MET A 28 10.585 -0.168 -14.624 1.00 0.00 C ATOM 408 O MET A 28 11.266 -1.162 -14.902 1.00 0.00 O ATOM 409 CB MET A 28 11.549 1.651 -13.070 1.00 0.00 C ATOM 410 CG MET A 28 12.938 1.242 -12.543 1.00 0.00 C ATOM 411 SD MET A 28 12.880 -0.439 -11.885 1.00 0.00 S ATOM 412 CE MET A 28 11.660 -0.261 -10.567 1.00 0.00 C ATOM 0 H MET A 28 10.115 3.034 -14.642 1.00 0.00 H new ATOM 0 HA MET A 28 12.197 1.234 -15.047 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.454 2.734 -12.988 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.791 1.214 -12.419 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.673 1.302 -13.346 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.259 1.935 -11.765 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.070 -1.174 -10.491 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.170 -0.079 -9.621 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.002 0.578 -10.791 1.00 0.00 H new ATOM 422 N PHE A 29 9.264 -0.234 -14.370 1.00 0.00 N ATOM 423 CA PHE A 29 8.512 -1.515 -14.305 1.00 0.00 C ATOM 424 C PHE A 29 8.311 -2.042 -15.751 1.00 0.00 C ATOM 425 O PHE A 29 8.456 -3.242 -16.012 1.00 0.00 O ATOM 426 CB PHE A 29 7.159 -1.322 -13.558 1.00 0.00 C ATOM 427 CG PHE A 29 7.273 -1.068 -12.042 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.513 -0.770 -11.466 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.135 -1.120 -11.227 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.610 -0.504 -10.102 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.235 -0.853 -9.863 1.00 0.00 C ATOM 432 CZ PHE A 29 7.470 -0.539 -9.304 1.00 0.00 C ATOM 0 H PHE A 29 8.686 0.590 -14.204 1.00 0.00 H new ATOM 0 HA PHE A 29 9.076 -2.255 -13.737 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.629 -0.484 -14.011 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.546 -2.209 -13.716 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.400 -0.746 -12.082 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.176 -1.368 -11.658 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.569 -0.271 -9.664 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.354 -0.890 -9.240 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.544 -0.322 -8.249 1.00 0.00 H new ATOM 442 N ASP A 30 7.947 -1.131 -16.673 1.00 0.00 N ATOM 443 CA ASP A 30 7.609 -1.486 -18.077 1.00 0.00 C ATOM 444 C ASP A 30 8.747 -2.370 -18.656 1.00 0.00 C ATOM 445 O ASP A 30 8.541 -3.558 -18.932 1.00 0.00 O ATOM 446 CB ASP A 30 7.338 -0.219 -18.940 1.00 0.00 C ATOM 447 CG ASP A 30 7.067 -0.465 -20.435 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.894 -0.689 -20.809 1.00 0.00 O ATOM 449 OD2 ASP A 30 8.028 -0.441 -21.235 1.00 0.00 O ATOM 0 H ASP A 30 7.877 -0.133 -16.474 1.00 0.00 H new ATOM 0 HA ASP A 30 6.681 -2.057 -18.097 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.482 0.307 -18.518 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.197 0.447 -18.852 1.00 0.00 H new ATOM 454 N ALA A 31 9.931 -1.768 -18.867 1.00 0.00 N ATOM 455 CA ALA A 31 11.145 -2.440 -19.409 1.00 0.00 C ATOM 456 C ALA A 31 11.156 -2.374 -20.961 1.00 0.00 C ATOM 457 O ALA A 31 12.211 -2.153 -21.571 1.00 0.00 O ATOM 458 CB ALA A 31 11.218 -3.894 -18.899 1.00 0.00 C ATOM 0 H ALA A 31 10.083 -0.780 -18.664 1.00 0.00 H new ATOM 0 HA ALA A 31 12.032 -1.916 -19.054 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.109 -4.376 -19.301 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.265 -3.896 -17.810 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.332 -4.439 -19.225 1.00 0.00 H new ATOM 464 N ASP A 32 9.978 -2.557 -21.586 1.00 0.00 N ATOM 465 CA ASP A 32 9.834 -2.621 -23.065 1.00 0.00 C ATOM 466 C ASP A 32 9.457 -1.212 -23.596 1.00 0.00 C ATOM 467 O ASP A 32 8.669 -1.081 -24.541 1.00 0.00 O ATOM 468 CB ASP A 32 8.811 -3.716 -23.490 1.00 0.00 C ATOM 469 CG ASP A 32 7.331 -3.299 -23.501 1.00 0.00 C ATOM 470 OD1 ASP A 32 6.915 -2.515 -22.618 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.581 -3.751 -24.395 1.00 0.00 O ATOM 0 H ASP A 32 9.095 -2.665 -21.086 1.00 0.00 H new ATOM 0 HA ASP A 32 10.783 -2.914 -23.514 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.076 -4.062 -24.489 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.922 -4.567 -22.818 1.00 0.00 H new ATOM 476 N GLY A 33 10.054 -0.164 -22.998 1.00 0.00 N ATOM 477 CA GLY A 33 9.856 1.241 -23.443 1.00 0.00 C ATOM 478 C GLY A 33 8.780 1.966 -22.592 1.00 0.00 C ATOM 479 O GLY A 33 9.090 2.589 -21.569 1.00 0.00 O ATOM 0 H GLY A 33 10.682 -0.258 -22.200 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.800 1.781 -23.373 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.559 1.252 -24.492 1.00 0.00 H new ATOM 483 N GLY A 34 7.512 1.899 -23.046 1.00 0.00 N ATOM 484 CA GLY A 34 6.370 2.522 -22.331 1.00 0.00 C ATOM 485 C GLY A 34 5.043 2.193 -23.059 1.00 0.00 C ATOM 486 O GLY A 34 4.979 2.180 -24.294 1.00 0.00 O ATOM 0 H GLY A 34 7.248 1.419 -23.907 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.331 2.157 -21.305 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.508 3.602 -22.280 1.00 0.00 H new ATOM 490 N GLY A 35 3.988 1.897 -22.273 1.00 0.00 N ATOM 491 CA GLY A 35 2.679 1.456 -22.815 1.00 0.00 C ATOM 492 C GLY A 35 2.041 0.393 -21.883 1.00 0.00 C ATOM 493 O GLY A 35 1.804 -0.749 -22.296 1.00 0.00 O ATOM 0 H GLY A 35 4.014 1.955 -21.255 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.011 2.312 -22.912 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.813 1.041 -23.814 1.00 0.00 H new ATOM 497 N ASP A 36 1.772 0.792 -20.625 1.00 0.00 N ATOM 498 CA ASP A 36 1.138 -0.086 -19.607 1.00 0.00 C ATOM 499 C ASP A 36 2.186 -1.125 -19.121 1.00 0.00 C ATOM 500 O ASP A 36 3.314 -1.173 -19.627 1.00 0.00 O ATOM 501 CB ASP A 36 -0.159 -0.753 -20.151 1.00 0.00 C ATOM 502 CG ASP A 36 -1.018 0.109 -21.092 1.00 0.00 C ATOM 503 OD1 ASP A 36 -1.073 1.344 -20.902 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.635 -0.448 -22.028 1.00 0.00 O ATOM 0 H ASP A 36 1.985 1.728 -20.281 1.00 0.00 H new ATOM 0 HA ASP A 36 0.821 0.513 -18.753 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.119 -1.665 -20.679 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.774 -1.051 -19.302 1.00 0.00 H new ATOM 509 N ILE A 37 1.784 -1.972 -18.155 1.00 0.00 N ATOM 510 CA ILE A 37 2.651 -3.030 -17.568 1.00 0.00 C ATOM 511 C ILE A 37 1.830 -4.340 -17.425 1.00 0.00 C ATOM 512 O ILE A 37 0.846 -4.383 -16.670 1.00 0.00 O ATOM 513 CB ILE A 37 3.355 -2.609 -16.224 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.585 -1.076 -16.040 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.661 -3.413 -16.002 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.931 -0.618 -14.613 1.00 0.00 C ATOM 0 H ILE A 37 0.847 -1.948 -17.753 1.00 0.00 H new ATOM 0 HA ILE A 37 3.480 -3.198 -18.256 1.00 0.00 H new ATOM 0 HB ILE A 37 2.639 -2.867 -15.443 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.390 -0.766 -16.706 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.685 -0.551 -16.362 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.126 -3.101 -15.067 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.430 -4.477 -15.955 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.348 -3.227 -16.828 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.069 0.463 -14.601 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.119 -0.887 -13.938 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.850 -1.105 -14.287 1.00 0.00 H new ATOM 528 N SER A 38 2.248 -5.409 -18.128 1.00 0.00 N ATOM 529 CA SER A 38 1.511 -6.702 -18.148 1.00 0.00 C ATOM 530 C SER A 38 1.914 -7.554 -16.913 1.00 0.00 C ATOM 531 O SER A 38 2.429 -7.024 -15.922 1.00 0.00 O ATOM 532 CB SER A 38 1.784 -7.429 -19.485 1.00 0.00 C ATOM 533 OG SER A 38 1.890 -6.507 -20.566 1.00 0.00 O ATOM 0 H SER A 38 3.096 -5.410 -18.695 1.00 0.00 H new ATOM 0 HA SER A 38 0.437 -6.529 -18.083 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.705 -8.006 -19.406 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.980 -8.137 -19.686 1.00 0.00 H new ATOM 0 HG SER A 38 2.064 -6.996 -21.397 1.00 0.00 H new ATOM 539 N THR A 39 1.677 -8.876 -17.002 1.00 0.00 N ATOM 540 CA THR A 39 1.994 -9.840 -15.915 1.00 0.00 C ATOM 541 C THR A 39 3.482 -10.267 -16.040 1.00 0.00 C ATOM 542 O THR A 39 4.226 -10.253 -15.051 1.00 0.00 O ATOM 543 CB THR A 39 1.016 -11.059 -15.909 1.00 0.00 C ATOM 544 OG1 THR A 39 0.465 -11.268 -17.207 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.149 -10.958 -14.907 1.00 0.00 C ATOM 0 H THR A 39 1.261 -9.312 -17.825 1.00 0.00 H new ATOM 0 HA THR A 39 1.852 -9.354 -14.950 1.00 0.00 H new ATOM 0 HB THR A 39 1.636 -11.897 -15.593 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.143 -12.036 -17.184 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.770 -11.851 -14.980 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.248 -10.873 -13.895 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.751 -10.078 -15.136 1.00 0.00 H new ATOM 553 N LYS A 40 3.902 -10.650 -17.261 1.00 0.00 N ATOM 554 CA LYS A 40 5.296 -11.091 -17.535 1.00 0.00 C ATOM 555 C LYS A 40 6.268 -9.927 -17.201 1.00 0.00 C ATOM 556 O LYS A 40 7.405 -10.159 -16.770 1.00 0.00 O ATOM 557 CB LYS A 40 5.396 -11.587 -19.007 1.00 0.00 C ATOM 558 CG LYS A 40 6.715 -12.292 -19.415 1.00 0.00 C ATOM 559 CD LYS A 40 8.058 -11.561 -19.176 1.00 0.00 C ATOM 560 CE LYS A 40 9.281 -12.444 -18.846 1.00 0.00 C ATOM 561 NZ LYS A 40 10.560 -11.893 -19.329 1.00 0.00 N ATOM 0 H LYS A 40 3.297 -10.665 -18.082 1.00 0.00 H new ATOM 0 HA LYS A 40 5.581 -11.932 -16.903 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.571 -12.275 -19.191 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.250 -10.731 -19.665 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.758 -13.243 -18.884 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.650 -12.523 -20.478 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.291 -10.977 -20.067 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.919 -10.853 -18.359 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.339 -12.579 -17.766 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.133 -13.431 -19.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.335 -12.538 -19.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.525 -11.789 -20.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.724 -10.963 -18.893 1.00 0.00 H new ATOM 575 N GLU A 41 5.815 -8.681 -17.430 1.00 0.00 N ATOM 576 CA GLU A 41 6.659 -7.466 -17.273 1.00 0.00 C ATOM 577 C GLU A 41 6.784 -7.115 -15.765 1.00 0.00 C ATOM 578 O GLU A 41 7.882 -7.154 -15.197 1.00 0.00 O ATOM 579 CB GLU A 41 6.102 -6.284 -18.118 1.00 0.00 C ATOM 580 CG GLU A 41 5.927 -6.506 -19.641 1.00 0.00 C ATOM 581 CD GLU A 41 5.729 -5.218 -20.446 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.808 -4.437 -20.121 1.00 0.00 O ATOM 583 OE2 GLU A 41 6.492 -4.983 -21.409 1.00 0.00 O ATOM 0 H GLU A 41 4.860 -8.481 -17.728 1.00 0.00 H new ATOM 0 HA GLU A 41 7.660 -7.666 -17.655 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.132 -6.006 -17.706 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.765 -5.430 -17.978 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.804 -7.029 -20.023 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.070 -7.159 -19.805 1.00 0.00 H new ATOM 590 N LEU A 42 5.651 -6.744 -15.142 1.00 0.00 N ATOM 591 CA LEU A 42 5.610 -6.263 -13.735 1.00 0.00 C ATOM 592 C LEU A 42 6.381 -7.277 -12.847 1.00 0.00 C ATOM 593 O LEU A 42 7.229 -6.889 -12.034 1.00 0.00 O ATOM 594 CB LEU A 42 4.137 -6.080 -13.256 1.00 0.00 C ATOM 595 CG LEU A 42 3.852 -4.937 -12.238 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.409 -4.401 -12.339 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.143 -5.390 -10.793 1.00 0.00 C ATOM 0 H LEU A 42 4.736 -6.766 -15.592 1.00 0.00 H new ATOM 0 HA LEU A 42 6.088 -5.286 -13.659 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.515 -5.911 -14.135 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.809 -7.019 -12.809 1.00 0.00 H new ATOM 0 HG LEU A 42 4.527 -4.122 -12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.264 -3.606 -11.607 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.236 -4.008 -13.341 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.706 -5.210 -12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.934 -4.570 -10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.510 -6.242 -10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.190 -5.679 -10.706 1.00 0.00 H new ATOM 609 N GLY A 43 6.052 -8.574 -12.995 1.00 0.00 N ATOM 610 CA GLY A 43 6.612 -9.655 -12.145 1.00 0.00 C ATOM 611 C GLY A 43 8.153 -9.526 -12.033 1.00 0.00 C ATOM 612 O GLY A 43 8.722 -9.691 -10.945 1.00 0.00 O ATOM 0 H GLY A 43 5.395 -8.906 -13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.166 -9.610 -11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.354 -10.626 -12.567 1.00 0.00 H new ATOM 616 N THR A 44 8.812 -9.233 -13.169 1.00 0.00 N ATOM 617 CA THR A 44 10.295 -9.184 -13.260 1.00 0.00 C ATOM 618 C THR A 44 10.831 -8.185 -12.198 1.00 0.00 C ATOM 619 O THR A 44 11.722 -8.521 -11.409 1.00 0.00 O ATOM 620 CB THR A 44 10.782 -8.848 -14.704 1.00 0.00 C ATOM 621 OG1 THR A 44 11.240 -10.024 -15.368 1.00 0.00 O ATOM 622 CG2 THR A 44 11.898 -7.790 -14.790 1.00 0.00 C ATOM 0 H THR A 44 8.341 -9.024 -14.049 1.00 0.00 H new ATOM 0 HA THR A 44 10.702 -10.172 -13.044 1.00 0.00 H new ATOM 0 HB THR A 44 9.902 -8.425 -15.188 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.540 -9.794 -16.272 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.166 -7.628 -15.834 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.546 -6.854 -14.356 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.773 -8.138 -14.241 1.00 0.00 H new ATOM 630 N VAL A 45 10.275 -6.959 -12.200 1.00 0.00 N ATOM 631 CA VAL A 45 10.742 -5.846 -11.331 1.00 0.00 C ATOM 632 C VAL A 45 10.682 -6.344 -9.861 1.00 0.00 C ATOM 633 O VAL A 45 11.550 -6.003 -9.046 1.00 0.00 O ATOM 634 CB VAL A 45 9.936 -4.522 -11.585 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.267 -3.968 -10.303 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.766 -3.380 -12.224 1.00 0.00 C ATOM 0 H VAL A 45 9.490 -6.706 -12.800 1.00 0.00 H new ATOM 0 HA VAL A 45 11.771 -5.577 -11.569 1.00 0.00 H new ATOM 0 HB VAL A 45 9.173 -4.833 -12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.725 -3.053 -10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.572 -4.708 -9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.032 -3.752 -9.557 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.132 -2.504 -12.364 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.598 -3.124 -11.568 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.152 -3.707 -13.189 1.00 0.00 H new ATOM 646 N MET A 46 9.637 -7.125 -9.530 1.00 0.00 N ATOM 647 CA MET A 46 9.376 -7.588 -8.140 1.00 0.00 C ATOM 648 C MET A 46 10.599 -8.424 -7.675 1.00 0.00 C ATOM 649 O MET A 46 11.327 -8.021 -6.758 1.00 0.00 O ATOM 650 CB MET A 46 8.046 -8.387 -8.048 1.00 0.00 C ATOM 651 CG MET A 46 6.755 -7.558 -8.187 1.00 0.00 C ATOM 652 SD MET A 46 6.046 -7.238 -6.556 1.00 0.00 S ATOM 653 CE MET A 46 7.009 -5.807 -6.026 1.00 0.00 C ATOM 0 H MET A 46 8.950 -7.455 -10.208 1.00 0.00 H new ATOM 0 HA MET A 46 9.252 -6.732 -7.476 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.049 -9.152 -8.824 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.021 -8.905 -7.089 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.971 -6.615 -8.690 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.035 -8.092 -8.807 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.460 -5.263 -5.257 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.964 -6.141 -5.621 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.185 -5.151 -6.879 1.00 0.00 H new ATOM 663 N ARG A 47 10.800 -9.596 -8.303 1.00 0.00 N ATOM 664 CA ARG A 47 11.850 -10.573 -7.913 1.00 0.00 C ATOM 665 C ARG A 47 13.176 -10.260 -8.661 1.00 0.00 C ATOM 666 O ARG A 47 13.984 -11.174 -8.891 1.00 0.00 O ATOM 667 CB ARG A 47 11.376 -12.024 -8.217 1.00 0.00 C ATOM 668 CG ARG A 47 11.197 -12.919 -6.968 1.00 0.00 C ATOM 669 CD ARG A 47 10.486 -14.252 -7.272 1.00 0.00 C ATOM 670 NE ARG A 47 10.103 -14.978 -6.033 1.00 0.00 N ATOM 671 CZ ARG A 47 8.846 -15.075 -5.551 1.00 0.00 C ATOM 672 NH1 ARG A 47 7.780 -14.523 -6.129 1.00 0.00 N ATOM 673 NH2 ARG A 47 8.661 -15.760 -4.438 1.00 0.00 N ATOM 0 H ARG A 47 10.240 -9.900 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 47 12.030 -10.489 -6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.428 -11.978 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.097 -12.495 -8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.175 -13.127 -6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.626 -12.373 -6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.594 -14.059 -7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.141 -14.883 -7.873 1.00 0.00 H new ATOM 0 HE ARG A 47 10.846 -15.438 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.887 -13.987 -6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.857 -14.636 -5.710 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.455 -16.196 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.724 -15.853 -4.046 1.00 0.00 H new ATOM 687 N MET A 48 13.408 -8.981 -9.008 1.00 0.00 N ATOM 688 CA MET A 48 14.683 -8.523 -9.626 1.00 0.00 C ATOM 689 C MET A 48 15.857 -8.928 -8.690 1.00 0.00 C ATOM 690 O MET A 48 16.990 -9.105 -9.158 1.00 0.00 O ATOM 691 CB MET A 48 14.674 -6.993 -9.915 1.00 0.00 C ATOM 692 CG MET A 48 15.376 -6.106 -8.871 1.00 0.00 C ATOM 693 SD MET A 48 16.930 -5.472 -9.539 1.00 0.00 S ATOM 694 CE MET A 48 16.332 -4.254 -10.730 1.00 0.00 C ATOM 0 H MET A 48 12.727 -8.234 -8.872 1.00 0.00 H new ATOM 0 HA MET A 48 14.808 -9.006 -10.595 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.145 -6.823 -10.883 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.638 -6.666 -10.003 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.726 -5.277 -8.591 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.568 -6.680 -7.965 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.148 -3.589 -11.011 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.959 -4.765 -11.617 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.527 -3.671 -10.282 1.00 0.00 H new ATOM 704 N LEU A 49 15.588 -9.038 -7.377 1.00 0.00 N ATOM 705 CA LEU A 49 16.617 -9.305 -6.334 1.00 0.00 C ATOM 706 C LEU A 49 17.557 -10.438 -6.824 1.00 0.00 C ATOM 707 O LEU A 49 18.744 -10.469 -6.470 1.00 0.00 O ATOM 708 CB LEU A 49 15.940 -9.667 -4.976 1.00 0.00 C ATOM 709 CG LEU A 49 14.752 -8.776 -4.508 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.728 -7.404 -5.212 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.403 -9.494 -4.711 1.00 0.00 C ATOM 0 H LEU A 49 14.646 -8.945 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 49 17.212 -8.407 -6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.585 -10.695 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.706 -9.642 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 49 14.905 -8.598 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.880 -6.823 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.653 -6.869 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.634 -7.549 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.592 -8.847 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.269 -9.725 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.392 -10.418 -4.134 1.00 0.00 H new ATOM 723 N GLY A 50 17.029 -11.353 -7.664 1.00 0.00 N ATOM 724 CA GLY A 50 17.846 -12.422 -8.290 1.00 0.00 C ATOM 725 C GLY A 50 16.954 -13.486 -8.978 1.00 0.00 C ATOM 726 O GLY A 50 17.375 -14.114 -9.961 1.00 0.00 O ATOM 0 H GLY A 50 16.043 -11.376 -7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.522 -11.983 -9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.466 -12.900 -7.531 1.00 0.00 H new ATOM 730 N GLN A 51 15.725 -13.675 -8.455 1.00 0.00 N ATOM 731 CA GLN A 51 14.793 -14.731 -8.932 1.00 0.00 C ATOM 732 C GLN A 51 14.102 -14.220 -10.227 1.00 0.00 C ATOM 733 O GLN A 51 14.386 -13.115 -10.702 1.00 0.00 O ATOM 734 CB GLN A 51 13.772 -15.103 -7.818 1.00 0.00 C ATOM 735 CG GLN A 51 14.035 -16.432 -7.068 1.00 0.00 C ATOM 736 CD GLN A 51 15.163 -16.362 -6.023 1.00 0.00 C ATOM 737 OE1 GLN A 51 16.076 -15.544 -6.123 1.00 0.00 O ATOM 738 NE2 GLN A 51 15.129 -17.214 -5.009 1.00 0.00 N ATOM 0 H GLN A 51 15.348 -13.108 -7.696 1.00 0.00 H new ATOM 0 HA GLN A 51 15.336 -15.647 -9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.752 -14.295 -7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.779 -15.152 -8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.116 -16.743 -6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.280 -17.204 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.368 -17.889 -4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.864 -17.195 -4.302 1.00 0.00 H new ATOM 747 N ASN A 52 13.219 -15.059 -10.801 1.00 0.00 N ATOM 748 CA ASN A 52 12.535 -14.761 -12.088 1.00 0.00 C ATOM 749 C ASN A 52 11.305 -15.715 -12.292 1.00 0.00 C ATOM 750 O ASN A 52 11.517 -16.837 -12.769 1.00 0.00 O ATOM 751 CB ASN A 52 13.574 -14.882 -13.239 1.00 0.00 C ATOM 752 CG ASN A 52 13.213 -14.111 -14.526 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.292 -13.295 -14.544 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.928 -14.344 -15.617 1.00 0.00 N ATOM 0 H ASN A 52 12.957 -15.957 -10.395 1.00 0.00 H new ATOM 0 HA ASN A 52 12.140 -13.745 -12.082 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.538 -14.524 -12.877 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.698 -15.936 -13.487 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.717 -13.845 -16.481 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.690 -15.022 -15.593 1.00 0.00 H new ATOM 761 N PRO A 53 10.037 -15.355 -11.920 1.00 0.00 N ATOM 762 CA PRO A 53 8.872 -16.272 -12.013 1.00 0.00 C ATOM 763 C PRO A 53 8.362 -16.422 -13.473 1.00 0.00 C ATOM 764 O PRO A 53 8.840 -15.737 -14.385 1.00 0.00 O ATOM 765 CB PRO A 53 7.860 -15.612 -11.056 1.00 0.00 C ATOM 766 CG PRO A 53 8.201 -14.120 -11.035 1.00 0.00 C ATOM 767 CD PRO A 53 9.708 -14.062 -11.275 1.00 0.00 C ATOM 0 HA PRO A 53 9.090 -17.303 -11.735 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.838 -15.773 -11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.932 -16.042 -10.057 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.656 -13.579 -11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.935 -13.667 -10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.975 -13.221 -11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.253 -13.936 -10.340 1.00 0.00 H new ATOM 775 N THR A 54 7.372 -17.313 -13.670 1.00 0.00 N ATOM 776 CA THR A 54 6.772 -17.581 -15.005 1.00 0.00 C ATOM 777 C THR A 54 5.505 -16.697 -15.174 1.00 0.00 C ATOM 778 O THR A 54 5.100 -15.979 -14.252 1.00 0.00 O ATOM 779 CB THR A 54 6.480 -19.099 -15.223 1.00 0.00 C ATOM 780 OG1 THR A 54 6.737 -19.472 -16.575 1.00 0.00 O ATOM 781 CG2 THR A 54 5.050 -19.550 -14.869 1.00 0.00 C ATOM 0 H THR A 54 6.963 -17.868 -12.918 1.00 0.00 H new ATOM 0 HA THR A 54 7.489 -17.314 -15.781 1.00 0.00 H new ATOM 0 HB THR A 54 7.153 -19.601 -14.528 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.550 -20.427 -16.692 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.949 -20.619 -15.055 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.854 -19.345 -13.817 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.334 -19.005 -15.484 1.00 0.00 H new ATOM 789 N LYS A 55 4.888 -16.767 -16.369 1.00 0.00 N ATOM 790 CA LYS A 55 3.727 -15.914 -16.739 1.00 0.00 C ATOM 791 C LYS A 55 2.438 -16.585 -16.191 1.00 0.00 C ATOM 792 O LYS A 55 1.484 -15.898 -15.807 1.00 0.00 O ATOM 793 CB LYS A 55 3.683 -15.700 -18.282 1.00 0.00 C ATOM 794 CG LYS A 55 5.040 -15.567 -19.016 1.00 0.00 C ATOM 795 CD LYS A 55 5.344 -16.683 -20.042 1.00 0.00 C ATOM 796 CE LYS A 55 6.590 -17.533 -19.719 1.00 0.00 C ATOM 797 NZ LYS A 55 7.179 -18.180 -20.908 1.00 0.00 N ATOM 0 H LYS A 55 5.174 -17.411 -17.107 1.00 0.00 H new ATOM 0 HA LYS A 55 3.816 -14.922 -16.295 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.140 -16.536 -18.724 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.101 -14.800 -18.482 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.065 -14.606 -19.530 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.837 -15.551 -18.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.478 -17.342 -20.109 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.475 -16.229 -21.024 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.342 -16.899 -19.249 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.320 -18.300 -18.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.011 -18.735 -20.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.476 -18.809 -21.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.466 -17.452 -21.593 1.00 0.00 H new ATOM 811 N GLU A 56 2.415 -17.931 -16.192 1.00 0.00 N ATOM 812 CA GLU A 56 1.218 -18.723 -15.803 1.00 0.00 C ATOM 813 C GLU A 56 0.813 -18.324 -14.358 1.00 0.00 C ATOM 814 O GLU A 56 -0.376 -18.166 -14.056 1.00 0.00 O ATOM 815 CB GLU A 56 1.497 -20.244 -15.975 1.00 0.00 C ATOM 816 CG GLU A 56 1.253 -20.838 -17.382 1.00 0.00 C ATOM 817 CD GLU A 56 2.503 -20.895 -18.265 1.00 0.00 C ATOM 818 OE1 GLU A 56 3.337 -21.808 -18.075 1.00 0.00 O ATOM 819 OE2 GLU A 56 2.657 -20.029 -19.155 1.00 0.00 O ATOM 0 H GLU A 56 3.216 -18.503 -16.459 1.00 0.00 H new ATOM 0 HA GLU A 56 0.373 -18.503 -16.455 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.535 -20.433 -15.701 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.875 -20.787 -15.263 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.852 -21.846 -17.274 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.491 -20.244 -17.888 1.00 0.00 H new ATOM 826 N GLU A 57 1.816 -18.196 -13.471 1.00 0.00 N ATOM 827 CA GLU A 57 1.595 -17.929 -12.024 1.00 0.00 C ATOM 828 C GLU A 57 1.152 -16.452 -11.841 1.00 0.00 C ATOM 829 O GLU A 57 0.216 -16.161 -11.088 1.00 0.00 O ATOM 830 CB GLU A 57 2.857 -18.285 -11.187 1.00 0.00 C ATOM 831 CG GLU A 57 3.721 -19.482 -11.657 1.00 0.00 C ATOM 832 CD GLU A 57 3.334 -20.823 -11.025 1.00 0.00 C ATOM 833 OE1 GLU A 57 3.878 -21.165 -9.952 1.00 0.00 O ATOM 834 OE2 GLU A 57 2.482 -21.538 -11.597 1.00 0.00 O ATOM 0 H GLU A 57 2.800 -18.273 -13.727 1.00 0.00 H new ATOM 0 HA GLU A 57 0.798 -18.571 -11.650 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.497 -17.403 -11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.536 -18.485 -10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.643 -19.568 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.766 -19.273 -11.428 1.00 0.00 H new ATOM 841 N LEU A 58 1.859 -15.528 -12.518 1.00 0.00 N ATOM 842 CA LEU A 58 1.636 -14.065 -12.368 1.00 0.00 C ATOM 843 C LEU A 58 0.158 -13.735 -12.715 1.00 0.00 C ATOM 844 O LEU A 58 -0.420 -12.788 -12.169 1.00 0.00 O ATOM 845 CB LEU A 58 2.673 -13.311 -13.250 1.00 0.00 C ATOM 846 CG LEU A 58 3.916 -12.726 -12.520 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.052 -12.445 -13.522 1.00 0.00 C ATOM 848 CD2 LEU A 58 3.598 -11.446 -11.717 1.00 0.00 C ATOM 0 H LEU A 58 2.597 -15.765 -13.181 1.00 0.00 H new ATOM 0 HA LEU A 58 1.792 -13.735 -11.341 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.023 -13.995 -14.023 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.159 -12.493 -13.756 1.00 0.00 H new ATOM 0 HG LEU A 58 4.235 -13.484 -11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.912 -12.036 -12.992 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.338 -13.373 -14.017 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.710 -11.727 -14.267 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.505 -11.087 -11.231 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.219 -10.678 -12.391 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.845 -11.668 -10.961 1.00 0.00 H new ATOM 860 N ASP A 59 -0.424 -14.509 -13.650 1.00 0.00 N ATOM 861 CA ASP A 59 -1.802 -14.277 -14.160 1.00 0.00 C ATOM 862 C ASP A 59 -2.762 -14.122 -12.949 1.00 0.00 C ATOM 863 O ASP A 59 -3.656 -13.266 -12.959 1.00 0.00 O ATOM 864 CB ASP A 59 -2.247 -15.403 -15.137 1.00 0.00 C ATOM 865 CG ASP A 59 -3.681 -15.296 -15.685 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.950 -14.391 -16.505 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.538 -16.123 -15.301 1.00 0.00 O ATOM 0 H ASP A 59 0.040 -15.311 -14.076 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.828 -13.357 -14.744 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.557 -15.417 -15.981 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.145 -16.360 -14.626 1.00 0.00 H new ATOM 872 N ALA A 60 -2.582 -14.978 -11.927 1.00 0.00 N ATOM 873 CA ALA A 60 -3.484 -15.032 -10.745 1.00 0.00 C ATOM 874 C ALA A 60 -3.299 -13.758 -9.876 1.00 0.00 C ATOM 875 O ALA A 60 -4.261 -13.252 -9.286 1.00 0.00 O ATOM 876 CB ALA A 60 -3.196 -16.320 -9.949 1.00 0.00 C ATOM 0 H ALA A 60 -1.816 -15.650 -11.889 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.525 -15.056 -11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.854 -16.366 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.373 -17.188 -10.585 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.158 -16.318 -9.618 1.00 0.00 H new ATOM 882 N ILE A 61 -2.045 -13.277 -9.789 1.00 0.00 N ATOM 883 CA ILE A 61 -1.669 -12.132 -8.917 1.00 0.00 C ATOM 884 C ILE A 61 -2.467 -10.905 -9.442 1.00 0.00 C ATOM 885 O ILE A 61 -2.977 -10.102 -8.650 1.00 0.00 O ATOM 886 CB ILE A 61 -0.109 -11.928 -8.851 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.555 -12.724 -7.683 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.294 -10.430 -8.768 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.259 -11.878 -6.609 1.00 0.00 C ATOM 0 H ILE A 61 -1.262 -13.664 -10.316 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.935 -12.308 -7.875 1.00 0.00 H new ATOM 0 HB ILE A 61 0.270 -12.330 -9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.212 -13.327 -7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.283 -13.416 -8.108 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.380 -10.347 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.075 -9.905 -9.649 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.140 -9.986 -7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.683 -12.534 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.056 -11.295 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.538 -11.205 -6.146 1.00 0.00 H new ATOM 901 N ILE A 62 -2.562 -10.778 -10.779 1.00 0.00 N ATOM 902 CA ILE A 62 -3.194 -9.610 -11.452 1.00 0.00 C ATOM 903 C ILE A 62 -4.719 -9.725 -11.179 1.00 0.00 C ATOM 904 O ILE A 62 -5.390 -8.713 -10.934 1.00 0.00 O ATOM 905 CB ILE A 62 -2.797 -9.523 -12.973 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.456 -8.756 -13.204 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.920 -8.903 -13.847 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.228 -8.218 -14.627 1.00 0.00 C ATOM 0 H ILE A 62 -2.205 -11.478 -11.430 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.834 -8.662 -11.053 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.652 -10.556 -13.289 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.414 -7.918 -12.508 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.631 -9.422 -12.951 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.594 -8.867 -14.886 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.820 -9.513 -13.770 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.136 -7.893 -13.499 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.268 -7.704 -14.672 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.229 -9.047 -15.334 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.025 -7.521 -14.884 1.00 0.00 H new ATOM 920 N GLU A 63 -5.243 -10.966 -11.195 1.00 0.00 N ATOM 921 CA GLU A 63 -6.687 -11.237 -10.954 1.00 0.00 C ATOM 922 C GLU A 63 -7.070 -10.641 -9.572 1.00 0.00 C ATOM 923 O GLU A 63 -8.189 -10.145 -9.386 1.00 0.00 O ATOM 924 CB GLU A 63 -6.990 -12.758 -11.080 1.00 0.00 C ATOM 925 CG GLU A 63 -8.483 -13.163 -11.123 1.00 0.00 C ATOM 926 CD GLU A 63 -9.067 -13.548 -9.760 1.00 0.00 C ATOM 927 OE1 GLU A 63 -9.378 -12.641 -8.957 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.221 -14.759 -9.488 1.00 0.00 O ATOM 0 H GLU A 63 -4.691 -11.805 -11.373 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.306 -10.755 -11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.510 -13.128 -11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.522 -13.270 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.061 -12.335 -11.533 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.601 -14.003 -11.807 1.00 0.00 H new ATOM 935 N GLU A 64 -6.143 -10.726 -8.602 1.00 0.00 N ATOM 936 CA GLU A 64 -6.315 -10.171 -7.233 1.00 0.00 C ATOM 937 C GLU A 64 -5.858 -8.684 -7.213 1.00 0.00 C ATOM 938 O GLU A 64 -5.225 -8.242 -6.242 1.00 0.00 O ATOM 939 CB GLU A 64 -5.551 -11.053 -6.201 1.00 0.00 C ATOM 940 CG GLU A 64 -6.352 -11.507 -4.958 1.00 0.00 C ATOM 941 CD GLU A 64 -5.539 -11.526 -3.659 1.00 0.00 C ATOM 942 OE1 GLU A 64 -4.901 -12.559 -3.360 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.534 -10.507 -2.934 1.00 0.00 O ATOM 0 H GLU A 64 -5.242 -11.185 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.366 -10.190 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.186 -11.942 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.676 -10.500 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.207 -10.844 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.748 -12.506 -5.140 1.00 0.00 H new ATOM 950 N VAL A 65 -6.209 -7.917 -8.261 1.00 0.00 N ATOM 951 CA VAL A 65 -5.875 -6.471 -8.369 1.00 0.00 C ATOM 952 C VAL A 65 -6.414 -5.970 -9.738 1.00 0.00 C ATOM 953 O VAL A 65 -5.768 -5.160 -10.415 1.00 0.00 O ATOM 954 CB VAL A 65 -4.343 -6.202 -8.157 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.446 -7.088 -9.055 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.921 -4.725 -8.369 1.00 0.00 C ATOM 0 H VAL A 65 -6.732 -8.275 -9.060 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.355 -5.904 -7.571 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.190 -6.459 -7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.398 -6.857 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.632 -8.139 -8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.675 -6.894 -10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.848 -4.626 -8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.161 -4.421 -9.388 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.457 -4.089 -7.665 1.00 0.00 H new ATOM 966 N ASP A 66 -7.603 -6.463 -10.134 1.00 0.00 N ATOM 967 CA ASP A 66 -8.250 -6.083 -11.419 1.00 0.00 C ATOM 968 C ASP A 66 -9.781 -5.958 -11.184 1.00 0.00 C ATOM 969 O ASP A 66 -10.573 -6.753 -11.702 1.00 0.00 O ATOM 970 CB ASP A 66 -7.894 -7.082 -12.558 1.00 0.00 C ATOM 971 CG ASP A 66 -6.954 -6.551 -13.654 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.306 -5.502 -13.440 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.856 -7.186 -14.726 1.00 0.00 O ATOM 0 H ASP A 66 -8.143 -7.130 -9.583 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.870 -5.118 -11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.436 -7.964 -12.110 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.821 -7.409 -13.030 1.00 0.00 H new ATOM 978 N GLU A 67 -10.172 -4.956 -10.370 1.00 0.00 N ATOM 979 CA GLU A 67 -11.599 -4.637 -10.098 1.00 0.00 C ATOM 980 C GLU A 67 -12.208 -3.956 -11.354 1.00 0.00 C ATOM 981 O GLU A 67 -13.418 -4.054 -11.597 1.00 0.00 O ATOM 982 CB GLU A 67 -11.726 -3.779 -8.804 1.00 0.00 C ATOM 983 CG GLU A 67 -11.500 -4.519 -7.464 1.00 0.00 C ATOM 984 CD GLU A 67 -12.278 -3.930 -6.282 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.454 -2.693 -6.229 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.715 -4.703 -5.400 1.00 0.00 O ATOM 0 H GLU A 67 -9.516 -4.345 -9.883 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.169 -5.546 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.011 -2.959 -8.866 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.721 -3.334 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.784 -5.564 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.436 -4.503 -7.228 1.00 0.00 H new ATOM 993 N ASP A 68 -11.359 -3.268 -12.145 1.00 0.00 N ATOM 994 CA ASP A 68 -11.785 -2.602 -13.406 1.00 0.00 C ATOM 995 C ASP A 68 -11.845 -3.664 -14.536 1.00 0.00 C ATOM 996 O ASP A 68 -12.674 -3.576 -15.450 1.00 0.00 O ATOM 997 CB ASP A 68 -10.866 -1.397 -13.769 1.00 0.00 C ATOM 998 CG ASP A 68 -9.388 -1.529 -13.362 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.693 -2.426 -13.887 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.923 -0.739 -12.511 1.00 0.00 O ATOM 0 H ASP A 68 -10.367 -3.155 -11.936 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.779 -2.176 -13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.913 -1.242 -14.847 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.273 -0.501 -13.300 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.978 -4.693 -14.444 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.947 -5.806 -15.426 1.00 0.00 C ATOM 1007 C GLY A 69 -10.412 -5.306 -16.793 1.00 0.00 C ATOM 1008 O GLY A 69 -11.012 -5.576 -17.842 1.00 0.00 O ATOM 0 H GLY A 69 -10.287 -4.780 -13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.314 -6.611 -15.053 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.948 -6.219 -15.549 1.00 0.00 H new ATOM 1012 N SER A 70 -9.278 -4.581 -16.760 1.00 0.00 N ATOM 1013 CA SER A 70 -8.579 -4.101 -17.981 1.00 0.00 C ATOM 1014 C SER A 70 -7.644 -5.215 -18.524 1.00 0.00 C ATOM 1015 O SER A 70 -7.617 -5.498 -19.727 1.00 0.00 O ATOM 1016 CB SER A 70 -7.814 -2.797 -17.657 1.00 0.00 C ATOM 1017 OG SER A 70 -7.093 -2.907 -16.435 1.00 0.00 O ATOM 0 H SER A 70 -8.817 -4.309 -15.892 1.00 0.00 H new ATOM 0 HA SER A 70 -9.301 -3.874 -18.765 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.124 -2.567 -18.469 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.518 -1.967 -17.592 1.00 0.00 H new ATOM 0 HG SER A 70 -7.684 -2.687 -15.685 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.897 -5.866 -17.609 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.980 -6.978 -17.965 1.00 0.00 C ATOM 1025 C GLY A 71 -4.510 -6.566 -17.691 1.00 0.00 C ATOM 1026 O GLY A 71 -3.714 -7.364 -17.182 1.00 0.00 O ATOM 0 H GLY A 71 -6.908 -5.643 -16.614 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.231 -7.866 -17.385 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.103 -7.238 -19.016 1.00 0.00 H new ATOM 1030 N THR A 72 -4.173 -5.309 -18.035 1.00 0.00 N ATOM 1031 CA THR A 72 -2.818 -4.735 -17.827 1.00 0.00 C ATOM 1032 C THR A 72 -2.888 -3.701 -16.671 1.00 0.00 C ATOM 1033 O THR A 72 -3.924 -3.564 -16.005 1.00 0.00 O ATOM 1034 CB THR A 72 -2.229 -4.139 -19.146 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.277 -3.748 -20.031 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.278 -5.072 -19.918 1.00 0.00 C ATOM 0 H THR A 72 -4.829 -4.657 -18.466 1.00 0.00 H new ATOM 0 HA THR A 72 -2.125 -5.526 -17.541 1.00 0.00 H new ATOM 0 HB THR A 72 -1.638 -3.286 -18.814 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.891 -3.375 -20.851 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.923 -4.567 -20.817 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.428 -5.328 -19.286 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.809 -5.982 -20.198 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.781 -2.969 -16.440 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.670 -1.939 -15.372 1.00 0.00 C ATOM 1046 C ILE A 73 -1.182 -0.640 -16.071 1.00 0.00 C ATOM 1047 O ILE A 73 0.021 -0.353 -16.096 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.764 -2.425 -14.177 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.334 -3.690 -13.461 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.497 -1.302 -13.138 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.855 -3.705 -13.235 1.00 0.00 C ATOM 0 H ILE A 73 -0.928 -3.072 -16.990 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.628 -1.745 -14.890 1.00 0.00 H new ATOM 0 HB ILE A 73 0.187 -2.699 -14.635 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.065 -4.568 -14.048 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.841 -3.789 -12.494 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.132 -1.690 -12.336 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.009 -0.469 -13.625 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.444 -0.958 -12.722 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.139 -4.629 -12.731 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.140 -2.853 -12.618 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.366 -3.644 -14.196 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.131 0.149 -16.608 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.824 1.428 -17.303 1.00 0.00 C ATOM 1065 C ASP A 74 -1.311 2.461 -16.262 1.00 0.00 C ATOM 1066 O ASP A 74 -1.193 2.168 -15.063 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.050 1.950 -18.109 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.997 0.876 -18.670 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.602 0.150 -19.609 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.136 0.751 -18.167 1.00 0.00 O ATOM 0 H ASP A 74 -3.126 -0.073 -16.577 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.037 1.261 -18.038 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.627 2.614 -17.465 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.683 2.552 -18.940 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.988 3.679 -16.741 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.488 4.785 -15.878 1.00 0.00 C ATOM 1077 C PHE A 75 -1.660 5.289 -14.993 1.00 0.00 C ATOM 1078 O PHE A 75 -1.473 5.605 -13.812 1.00 0.00 O ATOM 1079 CB PHE A 75 0.122 5.922 -16.748 1.00 0.00 C ATOM 1080 CG PHE A 75 0.888 7.015 -15.976 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.679 7.197 -14.603 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.791 7.850 -16.645 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.318 8.232 -13.925 1.00 0.00 C ATOM 1084 CE2 PHE A 75 2.428 8.885 -15.965 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.173 9.090 -14.612 1.00 0.00 C ATOM 0 H PHE A 75 -1.063 3.929 -17.727 1.00 0.00 H new ATOM 0 HA PHE A 75 0.311 4.428 -15.228 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.799 5.475 -17.476 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.683 6.396 -17.310 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.019 6.531 -14.067 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.995 7.691 -17.694 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.151 8.369 -12.867 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.120 9.529 -16.488 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.639 9.916 -14.094 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.866 5.359 -15.586 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.072 5.922 -14.920 1.00 0.00 C ATOM 1097 C GLU A 76 -4.470 5.030 -13.712 1.00 0.00 C ATOM 1098 O GLU A 76 -5.037 5.523 -12.728 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.238 6.103 -15.936 1.00 0.00 C ATOM 1100 CG GLU A 76 -6.142 4.879 -16.223 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.917 4.964 -17.542 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -7.852 5.789 -17.642 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -6.596 4.204 -18.482 1.00 0.00 O ATOM 0 H GLU A 76 -3.040 5.030 -16.536 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.841 6.916 -14.537 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.874 6.912 -15.576 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.809 6.432 -16.883 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.525 3.981 -16.235 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.852 4.767 -15.404 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.193 3.717 -13.816 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.561 2.715 -12.779 1.00 0.00 C ATOM 1112 C GLU A 77 -3.437 2.620 -11.711 1.00 0.00 C ATOM 1113 O GLU A 77 -3.705 2.317 -10.541 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.867 1.324 -13.410 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.002 0.139 -12.426 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.617 -1.108 -13.066 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.320 -0.978 -14.092 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -5.405 -2.224 -12.543 1.00 0.00 O ATOM 0 H GLU A 77 -3.708 3.314 -14.618 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.476 3.047 -12.289 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.793 1.403 -13.979 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.075 1.089 -14.121 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.017 -0.111 -12.031 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.616 0.446 -11.580 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.182 2.866 -12.132 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.997 2.802 -11.235 1.00 0.00 C ATOM 1127 C PHE A 78 -1.125 3.903 -10.148 1.00 0.00 C ATOM 1128 O PHE A 78 -0.701 3.711 -9.002 1.00 0.00 O ATOM 1129 CB PHE A 78 0.320 2.931 -12.062 1.00 0.00 C ATOM 1130 CG PHE A 78 1.622 2.816 -11.242 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.146 3.940 -10.594 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.263 1.580 -11.096 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.299 3.833 -9.820 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.423 1.477 -10.330 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.937 2.602 -9.690 1.00 0.00 C ATOM 0 H PHE A 78 -1.955 3.114 -13.095 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.956 1.835 -10.734 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.324 2.159 -12.832 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.316 3.893 -12.575 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.654 4.896 -10.695 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.857 0.703 -11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.698 4.704 -9.321 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.923 0.525 -10.233 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.832 2.520 -9.092 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.707 5.056 -10.528 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.807 6.246 -9.642 1.00 0.00 C ATOM 1147 C LEU A 79 -2.817 5.926 -8.505 1.00 0.00 C ATOM 1148 O LEU A 79 -2.571 6.247 -7.335 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.232 7.508 -10.453 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.116 8.277 -11.219 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.717 9.210 -12.290 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.199 9.083 -10.277 1.00 0.00 C ATOM 0 H LEU A 79 -2.120 5.195 -11.450 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.834 6.470 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.989 7.204 -11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.710 8.205 -9.765 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.504 7.519 -11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.914 9.734 -12.808 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.288 8.620 -13.007 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.375 9.936 -11.812 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.561 9.600 -10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.793 9.814 -9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.284 8.406 -9.572 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.962 5.321 -8.871 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.039 4.954 -7.912 1.00 0.00 C ATOM 1166 C VAL A 80 -4.488 3.858 -6.960 1.00 0.00 C ATOM 1167 O VAL A 80 -4.933 3.749 -5.809 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.361 4.539 -8.653 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.116 3.360 -7.991 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.353 5.716 -8.811 1.00 0.00 C ATOM 0 H VAL A 80 -4.174 5.070 -9.837 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.322 5.818 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.008 4.215 -9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.016 3.137 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.472 2.481 -7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.392 3.631 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.247 5.371 -9.330 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.628 6.095 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.884 6.513 -9.388 1.00 0.00 H new ATOM 1180 N MET A 81 -3.547 3.034 -7.458 1.00 0.00 N ATOM 1181 CA MET A 81 -2.928 1.929 -6.676 1.00 0.00 C ATOM 1182 C MET A 81 -2.191 2.544 -5.455 1.00 0.00 C ATOM 1183 O MET A 81 -2.450 2.164 -4.306 1.00 0.00 O ATOM 1184 CB MET A 81 -1.979 1.069 -7.560 1.00 0.00 C ATOM 1185 CG MET A 81 -1.954 -0.439 -7.248 1.00 0.00 C ATOM 1186 SD MET A 81 -3.475 -1.219 -7.835 1.00 0.00 S ATOM 1187 CE MET A 81 -2.959 -1.822 -9.456 1.00 0.00 C ATOM 0 H MET A 81 -3.190 3.109 -8.411 1.00 0.00 H new ATOM 0 HA MET A 81 -3.703 1.250 -6.320 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.267 1.200 -8.603 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.966 1.459 -7.458 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.091 -0.903 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.847 -0.595 -6.174 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.827 -2.200 -9.997 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.506 -1.007 -10.020 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.232 -2.624 -9.331 1.00 0.00 H new ATOM 1197 N MET A 82 -1.250 3.468 -5.725 1.00 0.00 N ATOM 1198 CA MET A 82 -0.375 4.062 -4.678 1.00 0.00 C ATOM 1199 C MET A 82 -1.235 4.888 -3.684 1.00 0.00 C ATOM 1200 O MET A 82 -0.922 4.960 -2.489 1.00 0.00 O ATOM 1201 CB MET A 82 0.740 4.919 -5.342 1.00 0.00 C ATOM 1202 CG MET A 82 2.007 4.152 -5.768 1.00 0.00 C ATOM 1203 SD MET A 82 3.253 4.179 -4.458 1.00 0.00 S ATOM 1204 CE MET A 82 4.552 3.148 -5.168 1.00 0.00 C ATOM 0 H MET A 82 -1.070 3.826 -6.663 1.00 0.00 H new ATOM 0 HA MET A 82 0.116 3.271 -4.111 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.321 5.409 -6.221 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.031 5.706 -4.646 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.749 3.121 -6.008 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.418 4.596 -6.675 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.384 3.077 -4.467 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.158 2.151 -5.366 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.900 3.592 -6.101 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.312 5.513 -4.195 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.173 6.437 -3.409 1.00 0.00 C ATOM 1216 C VAL A 83 -3.963 5.587 -2.378 1.00 0.00 C ATOM 1217 O VAL A 83 -4.191 6.026 -1.243 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.086 7.317 -4.337 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.568 7.322 -3.890 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.621 8.788 -4.475 1.00 0.00 C ATOM 0 H VAL A 83 -2.615 5.397 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.565 7.162 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.992 6.834 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.150 7.946 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.957 6.304 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.641 7.720 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.305 9.326 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.614 9.261 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.617 8.814 -4.898 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.379 4.375 -2.789 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.244 3.483 -1.970 1.00 0.00 C ATOM 1232 C ARG A 84 -4.400 2.952 -0.779 1.00 0.00 C ATOM 1233 O ARG A 84 -4.917 2.769 0.330 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.801 2.316 -2.833 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.290 2.450 -3.231 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.766 1.307 -4.148 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.156 0.103 -3.373 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.424 -0.329 -3.211 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -10.437 0.526 -3.158 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.690 -1.616 -3.041 1.00 0.00 N ATOM 0 H ARG A 84 -4.129 3.980 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.103 4.036 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.203 2.238 -3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.670 1.383 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.903 2.466 -2.330 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.442 3.403 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.614 1.647 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.971 1.047 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.412 -0.437 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.264 1.528 -3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.389 0.182 -3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.931 -2.297 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.654 -1.926 -2.920 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.106 2.683 -1.035 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.191 2.065 -0.038 1.00 0.00 C ATOM 1256 C GLN A 85 -1.890 3.107 1.074 1.00 0.00 C ATOM 1257 O GLN A 85 -1.713 2.746 2.244 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.901 1.552 -0.739 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.993 0.154 -1.398 1.00 0.00 C ATOM 1260 CD GLN A 85 0.119 -0.824 -0.978 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.117 -2.017 -0.791 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.344 -0.346 -0.818 1.00 0.00 N ATOM 0 H GLN A 85 -2.661 2.884 -1.931 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.659 1.197 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.616 2.274 -1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.096 1.533 -0.004 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.959 -0.287 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.964 0.274 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.530 0.645 -0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.102 -0.968 -0.537 1.00 0.00 H new ATOM 1271 N MET A 86 -1.853 4.397 0.694 1.00 0.00 N ATOM 1272 CA MET A 86 -1.491 5.510 1.609 1.00 0.00 C ATOM 1273 C MET A 86 -2.454 5.460 2.827 1.00 0.00 C ATOM 1274 O MET A 86 -2.016 5.530 3.982 1.00 0.00 O ATOM 1275 CB MET A 86 -1.530 6.880 0.864 1.00 0.00 C ATOM 1276 CG MET A 86 -2.787 7.727 1.139 1.00 0.00 C ATOM 1277 SD MET A 86 -2.545 9.429 0.598 1.00 0.00 S ATOM 1278 CE MET A 86 -3.932 9.645 -0.537 1.00 0.00 C ATOM 0 H MET A 86 -2.072 4.704 -0.254 1.00 0.00 H new ATOM 0 HA MET A 86 -0.467 5.398 1.966 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.650 7.458 1.148 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.459 6.697 -0.208 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.643 7.294 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.017 7.709 2.204 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.312 10.664 -0.457 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.599 9.461 -1.558 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.724 8.941 -0.282 1.00 0.00 H new ATOM 1288 N LYS A 87 -3.767 5.368 2.546 1.00 0.00 N ATOM 1289 CA LYS A 87 -4.830 5.413 3.585 1.00 0.00 C ATOM 1290 C LYS A 87 -4.673 4.169 4.500 1.00 0.00 C ATOM 1291 O LYS A 87 -4.252 3.098 4.044 1.00 0.00 O ATOM 1292 CB LYS A 87 -6.254 5.435 2.961 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.702 6.792 2.371 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.215 7.080 2.465 1.00 0.00 C ATOM 1295 CE LYS A 87 -8.861 7.587 1.160 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.021 8.453 1.434 1.00 0.00 N ATOM 0 H LYS A 87 -4.127 5.261 1.598 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.718 6.333 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.298 4.684 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.971 5.137 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.164 7.589 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.405 6.830 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.725 6.168 2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.381 7.821 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.123 8.139 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.175 6.737 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.432 8.777 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.735 7.918 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.716 9.276 1.992 1.00 0.00 H new