USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 HIS : no HE2:sc= -9.14! C(o=-9.1!,f=-12!) USER MOD Set 1.2: A 92 THR OG1 : rot -102:sc= 0.0238 USER MOD Set 2.1: A 66 ASN : amide:sc= -7.42! C(o=-9!,f=-15!) USER MOD Set 2.2: A 88 GLN : amide:sc= -1.55 K(o=-9,f=-10!) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -164:sc= -1.82 (180deg=-2.32) USER MOD Set 3.2: A 85 THR OG1 : rot -57:sc= 0.313 USER MOD Single : A 38 THR OG1 : rot -31:sc= 0.0173 USER MOD Single : A 43 ASN : amide:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.51) USER MOD Single : A 53 SER OG : rot -68:sc= 0.733 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0126 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 37:sc= 1.21 USER MOD Single : A 78 CYS SG : rot 10:sc= -1.96 USER MOD Single : A 79 GLN : amide:sc= -2.28! X(o=-2.3!,f=-2.6) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 22:sc= 0.333 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.365 1.554 -10.564 1.00 0.00 N ATOM 104 CA ARG A 11 3.906 0.214 -10.370 1.00 0.00 C ATOM 105 C ARG A 11 2.818 -0.749 -9.906 1.00 0.00 C ATOM 106 O ARG A 11 2.129 -0.494 -8.919 1.00 0.00 O ATOM 107 CB ARG A 11 5.045 0.244 -9.350 1.00 0.00 C ATOM 108 CG ARG A 11 5.574 -1.134 -8.987 1.00 0.00 C ATOM 109 CD ARG A 11 6.632 -1.602 -9.974 1.00 0.00 C ATOM 110 NE ARG A 11 6.050 -2.341 -11.092 1.00 0.00 N ATOM 111 CZ ARG A 11 6.743 -2.729 -12.156 1.00 0.00 C ATOM 112 NH1 ARG A 11 8.036 -2.451 -12.248 1.00 0.00 N ATOM 113 NH2 ARG A 11 6.142 -3.398 -13.132 1.00 0.00 N ATOM 0 HA ARG A 11 4.294 -0.137 -11.327 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.863 0.844 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.697 0.741 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.997 -1.110 -7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.751 -1.848 -8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.179 -0.740 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.354 -2.235 -9.458 1.00 0.00 H new ATOM 0 HE ARG A 11 5.057 -2.571 -11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.502 -1.937 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.565 -2.751 -13.067 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.147 -3.614 -13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.675 -3.696 -13.949 1.00 0.00 H new ATOM 127 N GLU A 12 2.669 -1.857 -10.626 1.00 0.00 N ATOM 128 CA GLU A 12 1.663 -2.858 -10.288 1.00 0.00 C ATOM 129 C GLU A 12 2.317 -4.122 -9.737 1.00 0.00 C ATOM 130 O GLU A 12 2.963 -4.871 -10.471 1.00 0.00 O ATOM 131 CB GLU A 12 0.820 -3.201 -11.518 1.00 0.00 C ATOM 132 CG GLU A 12 -0.409 -4.035 -11.199 1.00 0.00 C ATOM 133 CD GLU A 12 -1.625 -3.185 -10.885 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.491 -2.227 -10.096 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.711 -3.478 -11.428 1.00 0.00 O ATOM 0 H GLU A 12 3.231 -2.084 -11.446 1.00 0.00 H new ATOM 0 HA GLU A 12 1.015 -2.440 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.506 -2.276 -12.002 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.440 -3.741 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.633 -4.684 -12.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.194 -4.683 -10.349 1.00 0.00 H new ATOM 142 N VAL A 13 2.146 -4.352 -8.439 1.00 0.00 N ATOM 143 CA VAL A 13 2.719 -5.524 -7.788 1.00 0.00 C ATOM 144 C VAL A 13 1.628 -6.415 -7.204 1.00 0.00 C ATOM 145 O VAL A 13 1.067 -6.117 -6.149 1.00 0.00 O ATOM 146 CB VAL A 13 3.695 -5.124 -6.667 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.320 -6.358 -6.036 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.768 -4.188 -7.204 1.00 0.00 C ATOM 0 H VAL A 13 1.615 -3.742 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 13 3.265 -6.076 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 13 3.136 -4.595 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.007 -6.054 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.536 -6.987 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.865 -6.918 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.449 -3.915 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.325 -4.689 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.300 -3.288 -7.603 1.00 0.00 H new ATOM 158 N HIS A 14 1.333 -7.512 -7.895 1.00 0.00 N ATOM 159 CA HIS A 14 0.310 -8.448 -7.444 1.00 0.00 C ATOM 160 C HIS A 14 0.909 -9.501 -6.516 1.00 0.00 C ATOM 161 O HIS A 14 2.054 -9.918 -6.690 1.00 0.00 O ATOM 162 CB HIS A 14 -0.355 -9.126 -8.642 1.00 0.00 C ATOM 163 CG HIS A 14 -0.972 -8.164 -9.609 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.196 -8.377 -10.207 1.00 0.00 N ATOM 165 CD2 HIS A 14 -0.527 -6.975 -10.081 1.00 0.00 C ATOM 166 CE1 HIS A 14 -2.477 -7.363 -11.005 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.480 -6.498 -10.947 1.00 0.00 N ATOM 0 H HIS A 14 1.788 -7.774 -8.769 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.443 -7.887 -6.890 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.387 -9.729 -9.166 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.124 -9.809 -8.281 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.792 -9.191 -10.056 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.404 -6.492 -9.824 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.370 -7.259 -11.603 1.00 0.00 H new ATOM 175 N LEU A 15 0.127 -9.926 -5.529 1.00 0.00 N ATOM 176 CA LEU A 15 0.580 -10.929 -4.573 1.00 0.00 C ATOM 177 C LEU A 15 -0.476 -12.014 -4.380 1.00 0.00 C ATOM 178 O LEU A 15 -1.622 -11.858 -4.799 1.00 0.00 O ATOM 179 CB LEU A 15 0.904 -10.273 -3.230 1.00 0.00 C ATOM 180 CG LEU A 15 1.802 -9.037 -3.286 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.479 -8.089 -2.141 1.00 0.00 C ATOM 182 CD2 LEU A 15 3.269 -9.441 -3.249 1.00 0.00 C ATOM 0 H LEU A 15 -0.823 -9.591 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 15 1.483 -11.393 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.034 -9.995 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.382 -11.016 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 15 1.613 -8.517 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.128 -7.215 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.438 -7.773 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.639 -8.599 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.893 -8.548 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.473 -9.985 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.492 -10.079 -4.104 1.00 0.00 H new ATOM 194 N GLU A 16 -0.080 -13.111 -3.742 1.00 0.00 N ATOM 195 CA GLU A 16 -0.994 -14.220 -3.493 1.00 0.00 C ATOM 196 C GLU A 16 -1.033 -14.569 -2.008 1.00 0.00 C ATOM 197 O GLU A 16 -0.015 -14.928 -1.415 1.00 0.00 O ATOM 198 CB GLU A 16 -0.575 -15.446 -4.306 1.00 0.00 C ATOM 199 CG GLU A 16 -0.837 -15.307 -5.796 1.00 0.00 C ATOM 200 CD GLU A 16 -2.316 -15.260 -6.127 1.00 0.00 C ATOM 201 OE1 GLU A 16 -2.969 -14.252 -5.787 1.00 0.00 O ATOM 202 OE2 GLU A 16 -2.819 -16.233 -6.728 1.00 0.00 O ATOM 0 H GLU A 16 0.866 -13.256 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.993 -13.912 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.488 -15.630 -4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.109 -16.319 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.358 -14.399 -6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.377 -16.144 -6.321 1.00 0.00 H new ATOM 209 N LYS A 17 -2.215 -14.461 -1.412 1.00 0.00 N ATOM 210 CA LYS A 17 -2.390 -14.766 0.004 1.00 0.00 C ATOM 211 C LYS A 17 -3.437 -15.858 0.200 1.00 0.00 C ATOM 212 O LYS A 17 -4.073 -16.300 -0.757 1.00 0.00 O ATOM 213 CB LYS A 17 -2.800 -13.507 0.771 1.00 0.00 C ATOM 214 CG LYS A 17 -4.284 -13.195 0.679 1.00 0.00 C ATOM 215 CD LYS A 17 -4.696 -12.140 1.692 1.00 0.00 C ATOM 216 CE LYS A 17 -4.444 -10.735 1.167 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.336 -9.741 2.271 1.00 0.00 N ATOM 0 H LYS A 17 -3.067 -14.164 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.438 -15.127 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.526 -13.625 1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.234 -12.658 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.522 -12.848 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.859 -14.106 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.753 -12.256 1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.142 -12.288 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.526 -10.726 0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.254 -10.447 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.437 -8.781 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.088 -9.914 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.408 -9.833 2.732 1.00 0.00 H new ATOM 231 N ARG A 18 -3.612 -16.286 1.446 1.00 0.00 N ATOM 232 CA ARG A 18 -4.583 -17.326 1.767 1.00 0.00 C ATOM 233 C ARG A 18 -5.842 -16.723 2.382 1.00 0.00 C ATOM 234 O ARG A 18 -5.775 -16.008 3.382 1.00 0.00 O ATOM 235 CB ARG A 18 -3.970 -18.346 2.728 1.00 0.00 C ATOM 236 CG ARG A 18 -3.279 -19.504 2.028 1.00 0.00 C ATOM 237 CD ARG A 18 -4.276 -20.387 1.295 1.00 0.00 C ATOM 238 NE ARG A 18 -4.563 -19.891 -0.048 1.00 0.00 N ATOM 239 CZ ARG A 18 -5.608 -20.283 -0.768 1.00 0.00 C ATOM 240 NH1 ARG A 18 -6.461 -21.171 -0.277 1.00 0.00 N ATOM 241 NH2 ARG A 18 -5.802 -19.785 -1.983 1.00 0.00 N ATOM 0 H ARG A 18 -3.095 -15.929 2.249 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.858 -17.830 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.250 -17.840 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.754 -18.739 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.545 -19.117 1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.733 -20.100 2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.883 -21.401 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.202 -20.440 1.867 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.926 -19.206 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.316 -21.555 0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.262 -21.470 -0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.148 -19.101 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.605 -20.086 -2.536 1.00 0.00 H new ATOM 255 N ARG A 19 -6.989 -17.015 1.777 1.00 0.00 N ATOM 256 CA ARG A 19 -8.262 -16.500 2.264 1.00 0.00 C ATOM 257 C ARG A 19 -8.263 -16.402 3.787 1.00 0.00 C ATOM 258 O ARG A 19 -8.251 -17.416 4.484 1.00 0.00 O ATOM 259 CB ARG A 19 -9.411 -17.398 1.800 1.00 0.00 C ATOM 260 CG ARG A 19 -10.761 -16.700 1.783 1.00 0.00 C ATOM 261 CD ARG A 19 -11.744 -17.410 0.866 1.00 0.00 C ATOM 262 NE ARG A 19 -13.009 -16.689 0.756 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.884 -16.886 -0.224 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.633 -17.776 -1.173 1.00 0.00 N ATOM 265 NH2 ARG A 19 -15.014 -16.191 -0.255 1.00 0.00 N ATOM 0 H ARG A 19 -7.062 -17.606 0.949 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.401 -15.500 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.190 -17.768 0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.469 -18.267 2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.166 -16.664 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.634 -15.669 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.302 -17.519 -0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.931 -18.415 1.244 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.233 -15.996 1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.766 -18.312 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.307 -17.925 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.211 -15.505 0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.685 -16.343 -1.008 1.00 0.00 H new ATOM 279 N GLY A 20 -8.276 -15.174 4.297 1.00 0.00 N ATOM 280 CA GLY A 20 -8.277 -14.967 5.733 1.00 0.00 C ATOM 281 C GLY A 20 -6.879 -14.962 6.319 1.00 0.00 C ATOM 282 O GLY A 20 -6.676 -15.377 7.459 1.00 0.00 O ATOM 0 H GLY A 20 -8.286 -14.319 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.766 -14.020 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.865 -15.752 6.210 1.00 0.00 H new ATOM 286 N GLU A 21 -5.912 -14.493 5.536 1.00 0.00 N ATOM 287 CA GLU A 21 -4.526 -14.438 5.984 1.00 0.00 C ATOM 288 C GLU A 21 -4.043 -12.994 6.087 1.00 0.00 C ATOM 289 O GLU A 21 -3.869 -12.313 5.077 1.00 0.00 O ATOM 290 CB GLU A 21 -3.625 -15.221 5.025 1.00 0.00 C ATOM 291 CG GLU A 21 -2.144 -15.085 5.334 1.00 0.00 C ATOM 292 CD GLU A 21 -1.731 -15.861 6.570 1.00 0.00 C ATOM 293 OE1 GLU A 21 -2.354 -16.906 6.850 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.785 -15.422 7.256 1.00 0.00 O ATOM 0 H GLU A 21 -6.063 -14.146 4.589 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.474 -14.892 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.900 -16.275 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.808 -14.878 4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.565 -15.435 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.901 -14.032 5.473 1.00 0.00 H new ATOM 301 N GLY A 22 -3.830 -12.534 7.316 1.00 0.00 N ATOM 302 CA GLY A 22 -3.370 -11.174 7.529 1.00 0.00 C ATOM 303 C GLY A 22 -2.343 -10.741 6.502 1.00 0.00 C ATOM 304 O GLY A 22 -1.243 -11.293 6.442 1.00 0.00 O ATOM 0 H GLY A 22 -3.968 -13.078 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.223 -10.496 7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.938 -11.092 8.527 1.00 0.00 H new ATOM 308 N LEU A 23 -2.700 -9.752 5.690 1.00 0.00 N ATOM 309 CA LEU A 23 -1.800 -9.246 4.659 1.00 0.00 C ATOM 310 C LEU A 23 -0.368 -9.163 5.178 1.00 0.00 C ATOM 311 O LEU A 23 0.586 -9.394 4.437 1.00 0.00 O ATOM 312 CB LEU A 23 -2.263 -7.869 4.182 1.00 0.00 C ATOM 313 CG LEU A 23 -1.931 -7.514 2.732 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.395 -6.102 2.408 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.438 -7.658 2.476 1.00 0.00 C ATOM 0 H LEU A 23 -3.606 -9.285 5.725 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.822 -9.941 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.343 -7.806 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.819 -7.114 4.831 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.460 -8.207 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.150 -5.867 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.473 -6.032 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.894 -5.394 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.220 -7.401 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.111 -6.989 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.134 -8.687 2.667 1.00 0.00 H new ATOM 327 N GLY A 24 -0.227 -8.832 6.459 1.00 0.00 N ATOM 328 CA GLY A 24 1.092 -8.726 7.056 1.00 0.00 C ATOM 329 C GLY A 24 1.836 -7.486 6.602 1.00 0.00 C ATOM 330 O GLY A 24 2.984 -7.567 6.165 1.00 0.00 O ATOM 0 H GLY A 24 -1.002 -8.636 7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.996 -8.711 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.676 -9.610 6.800 1.00 0.00 H new ATOM 334 N VAL A 25 1.180 -6.334 6.703 1.00 0.00 N ATOM 335 CA VAL A 25 1.787 -5.071 6.298 1.00 0.00 C ATOM 336 C VAL A 25 1.518 -3.979 7.327 1.00 0.00 C ATOM 337 O VAL A 25 0.404 -3.848 7.832 1.00 0.00 O ATOM 338 CB VAL A 25 1.261 -4.610 4.926 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.933 -5.390 3.807 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.251 -4.760 4.858 1.00 0.00 C ATOM 0 H VAL A 25 0.229 -6.249 7.062 1.00 0.00 H new ATOM 0 HA VAL A 25 2.861 -5.243 6.227 1.00 0.00 H new ATOM 0 HB VAL A 25 1.505 -3.555 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.549 -5.051 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.010 -5.227 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.723 -6.453 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.606 -4.430 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.520 -5.806 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.712 -4.152 5.636 1.00 0.00 H new ATOM 350 N ALA A 26 2.547 -3.195 7.632 1.00 0.00 N ATOM 351 CA ALA A 26 2.422 -2.111 8.599 1.00 0.00 C ATOM 352 C ALA A 26 2.603 -0.754 7.928 1.00 0.00 C ATOM 353 O ALA A 26 3.702 -0.406 7.494 1.00 0.00 O ATOM 354 CB ALA A 26 3.433 -2.286 9.722 1.00 0.00 C ATOM 0 H ALA A 26 3.477 -3.290 7.223 1.00 0.00 H new ATOM 0 HA ALA A 26 1.418 -2.147 9.021 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.328 -1.470 10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.255 -3.235 10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.441 -2.279 9.308 1.00 0.00 H new ATOM 360 N LEU A 27 1.519 0.009 7.845 1.00 0.00 N ATOM 361 CA LEU A 27 1.558 1.330 7.226 1.00 0.00 C ATOM 362 C LEU A 27 1.392 2.427 8.273 1.00 0.00 C ATOM 363 O LEU A 27 1.034 2.157 9.419 1.00 0.00 O ATOM 364 CB LEU A 27 0.462 1.450 6.166 1.00 0.00 C ATOM 365 CG LEU A 27 0.295 0.250 5.234 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.150 0.128 4.774 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.229 0.369 4.038 1.00 0.00 C ATOM 0 H LEU A 27 0.602 -0.264 8.198 1.00 0.00 H new ATOM 0 HA LEU A 27 2.531 1.453 6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.487 1.626 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.667 2.331 5.558 1.00 0.00 H new ATOM 0 HG LEU A 27 0.557 -0.653 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.250 -0.732 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.798 -0.005 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.439 1.033 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.096 -0.494 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.999 1.280 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.262 0.406 4.385 1.00 0.00 H new ATOM 379 N VAL A 28 1.653 3.666 7.869 1.00 0.00 N ATOM 380 CA VAL A 28 1.529 4.806 8.771 1.00 0.00 C ATOM 381 C VAL A 28 1.170 6.075 8.007 1.00 0.00 C ATOM 382 O VAL A 28 1.058 6.062 6.782 1.00 0.00 O ATOM 383 CB VAL A 28 2.832 5.044 9.557 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.058 3.929 10.566 1.00 0.00 C ATOM 385 CG2 VAL A 28 4.014 5.160 8.606 1.00 0.00 C ATOM 0 H VAL A 28 1.951 3.906 6.924 1.00 0.00 H new ATOM 0 HA VAL A 28 0.729 4.569 9.472 1.00 0.00 H new ATOM 0 HB VAL A 28 2.740 5.983 10.103 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.983 4.114 11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.223 3.898 11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.130 2.975 10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.926 5.328 9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.110 4.239 8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.853 5.997 7.926 1.00 0.00 H new ATOM 395 N GLU A 29 0.993 7.170 8.739 1.00 0.00 N ATOM 396 CA GLU A 29 0.646 8.448 8.129 1.00 0.00 C ATOM 397 C GLU A 29 1.897 9.281 7.864 1.00 0.00 C ATOM 398 O GLU A 29 2.802 9.345 8.696 1.00 0.00 O ATOM 399 CB GLU A 29 -0.315 9.225 9.031 1.00 0.00 C ATOM 400 CG GLU A 29 -1.219 10.184 8.275 1.00 0.00 C ATOM 401 CD GLU A 29 -2.194 10.906 9.184 1.00 0.00 C ATOM 402 OE1 GLU A 29 -1.777 11.877 9.850 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.375 10.501 9.228 1.00 0.00 O ATOM 0 H GLU A 29 1.084 7.198 9.755 1.00 0.00 H new ATOM 0 HA GLU A 29 0.156 8.246 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.932 8.518 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.263 9.786 9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.607 10.917 7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.775 9.632 7.517 1.00 0.00 H new ATOM 522 N THR A 38 0.179 10.683 2.901 1.00 0.00 N ATOM 523 CA THR A 38 0.367 9.529 2.031 1.00 0.00 C ATOM 524 C THR A 38 0.609 8.262 2.844 1.00 0.00 C ATOM 525 O THR A 38 0.995 8.326 4.011 1.00 0.00 O ATOM 526 CB THR A 38 1.548 9.739 1.065 1.00 0.00 C ATOM 527 OG1 THR A 38 2.772 9.841 1.803 1.00 0.00 O ATOM 528 CG2 THR A 38 1.347 10.994 0.230 1.00 0.00 C ATOM 0 HA THR A 38 -0.550 9.417 1.452 1.00 0.00 H new ATOM 0 HB THR A 38 1.599 8.881 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.592 10.237 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.194 11.122 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.430 10.901 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.273 11.860 0.887 1.00 0.00 H new ATOM 536 N ALA A 39 0.380 7.111 2.220 1.00 0.00 N ATOM 537 CA ALA A 39 0.576 5.829 2.885 1.00 0.00 C ATOM 538 C ALA A 39 2.003 5.326 2.697 1.00 0.00 C ATOM 539 O ALA A 39 2.468 5.152 1.571 1.00 0.00 O ATOM 540 CB ALA A 39 -0.420 4.805 2.362 1.00 0.00 C ATOM 0 H ALA A 39 0.058 7.040 1.255 1.00 0.00 H new ATOM 0 HA ALA A 39 0.406 5.972 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.262 3.852 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.435 5.154 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.278 4.674 1.289 1.00 0.00 H new ATOM 546 N VAL A 40 2.695 5.093 3.808 1.00 0.00 N ATOM 547 CA VAL A 40 4.070 4.609 3.766 1.00 0.00 C ATOM 548 C VAL A 40 4.243 3.369 4.635 1.00 0.00 C ATOM 549 O VAL A 40 3.868 3.363 5.808 1.00 0.00 O ATOM 550 CB VAL A 40 5.061 5.692 4.232 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.492 5.187 4.128 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.876 6.967 3.423 1.00 0.00 C ATOM 0 H VAL A 40 2.326 5.232 4.749 1.00 0.00 H new ATOM 0 HA VAL A 40 4.284 4.354 2.728 1.00 0.00 H new ATOM 0 HB VAL A 40 4.857 5.920 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.178 5.966 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.613 4.304 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.712 4.929 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.584 7.721 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.052 6.757 2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.859 7.337 3.555 1.00 0.00 H new ATOM 562 N ILE A 41 4.813 2.320 4.052 1.00 0.00 N ATOM 563 CA ILE A 41 5.037 1.074 4.774 1.00 0.00 C ATOM 564 C ILE A 41 5.971 1.286 5.961 1.00 0.00 C ATOM 565 O ILE A 41 7.184 1.408 5.795 1.00 0.00 O ATOM 566 CB ILE A 41 5.632 -0.010 3.856 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.693 -0.283 2.678 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.889 -1.288 4.641 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.332 -1.091 1.571 1.00 0.00 C ATOM 0 H ILE A 41 5.128 2.308 3.082 1.00 0.00 H new ATOM 0 HA ILE A 41 4.064 0.740 5.135 1.00 0.00 H new ATOM 0 HB ILE A 41 6.583 0.350 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.812 -0.812 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.348 0.667 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.309 -2.044 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.591 -1.084 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.951 -1.653 5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.609 -1.246 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.196 -0.554 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.652 -2.056 1.963 1.00 0.00 H new ATOM 581 N ALA A 42 5.397 1.328 7.159 1.00 0.00 N ATOM 582 CA ALA A 42 6.178 1.522 8.374 1.00 0.00 C ATOM 583 C ALA A 42 7.025 0.293 8.684 1.00 0.00 C ATOM 584 O ALA A 42 8.187 0.410 9.073 1.00 0.00 O ATOM 585 CB ALA A 42 5.261 1.843 9.545 1.00 0.00 C ATOM 0 H ALA A 42 4.394 1.230 7.314 1.00 0.00 H new ATOM 0 HA ALA A 42 6.852 2.364 8.213 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.858 1.985 10.446 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.703 2.755 9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.564 1.019 9.698 1.00 0.00 H new ATOM 591 N ASN A 43 6.436 -0.886 8.509 1.00 0.00 N ATOM 592 CA ASN A 43 7.137 -2.137 8.772 1.00 0.00 C ATOM 593 C ASN A 43 6.420 -3.311 8.112 1.00 0.00 C ATOM 594 O ASN A 43 5.223 -3.243 7.832 1.00 0.00 O ATOM 595 CB ASN A 43 7.251 -2.376 10.279 1.00 0.00 C ATOM 596 CG ASN A 43 8.430 -3.259 10.637 1.00 0.00 C ATOM 597 OD1 ASN A 43 8.260 -4.357 11.167 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.636 -2.781 10.350 1.00 0.00 N ATOM 0 H ASN A 43 5.475 -1.001 8.186 1.00 0.00 H new ATOM 0 HA ASN A 43 8.138 -2.060 8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.350 -1.418 10.789 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.332 -2.837 10.641 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.467 -3.330 10.569 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.730 -1.865 9.910 1.00 0.00 H new ATOM 605 N LEU A 44 7.160 -4.387 7.868 1.00 0.00 N ATOM 606 CA LEU A 44 6.595 -5.578 7.242 1.00 0.00 C ATOM 607 C LEU A 44 7.063 -6.842 7.956 1.00 0.00 C ATOM 608 O LEU A 44 8.106 -6.848 8.611 1.00 0.00 O ATOM 609 CB LEU A 44 6.988 -5.637 5.765 1.00 0.00 C ATOM 610 CG LEU A 44 6.508 -4.474 4.896 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.988 -4.645 3.463 1.00 0.00 C ATOM 612 CD2 LEU A 44 4.991 -4.364 4.943 1.00 0.00 C ATOM 0 H LEU A 44 8.152 -4.460 8.094 1.00 0.00 H new ATOM 0 HA LEU A 44 5.509 -5.520 7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.075 -5.688 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.600 -6.564 5.343 1.00 0.00 H new ATOM 0 HG LEU A 44 6.932 -3.551 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.637 -3.808 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.077 -4.673 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.594 -5.576 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.667 -3.531 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.548 -5.288 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.670 -4.194 5.971 1.00 0.00 H new ATOM 624 N LEU A 45 6.287 -7.912 7.823 1.00 0.00 N ATOM 625 CA LEU A 45 6.623 -9.184 8.453 1.00 0.00 C ATOM 626 C LEU A 45 7.232 -10.149 7.441 1.00 0.00 C ATOM 627 O LEU A 45 6.535 -10.680 6.575 1.00 0.00 O ATOM 628 CB LEU A 45 5.377 -9.809 9.083 1.00 0.00 C ATOM 629 CG LEU A 45 5.620 -10.992 10.021 1.00 0.00 C ATOM 630 CD1 LEU A 45 4.343 -11.356 10.762 1.00 0.00 C ATOM 631 CD2 LEU A 45 6.148 -12.189 9.243 1.00 0.00 C ATOM 0 H LEU A 45 5.421 -7.924 7.285 1.00 0.00 H new ATOM 0 HA LEU A 45 7.360 -8.991 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.847 -9.034 9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.715 -10.137 8.282 1.00 0.00 H new ATOM 0 HG LEU A 45 6.371 -10.701 10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.535 -12.200 11.425 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.007 -10.502 11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.570 -11.628 10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.315 -13.022 9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.420 -12.481 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.087 -11.923 8.759 1.00 0.00 H new ATOM 643 N HIS A 46 8.537 -10.373 7.556 1.00 0.00 N ATOM 644 CA HIS A 46 9.241 -11.277 6.653 1.00 0.00 C ATOM 645 C HIS A 46 8.534 -12.626 6.575 1.00 0.00 C ATOM 646 O HIS A 46 8.559 -13.407 7.525 1.00 0.00 O ATOM 647 CB HIS A 46 10.685 -11.471 7.114 1.00 0.00 C ATOM 648 CG HIS A 46 11.572 -10.301 6.814 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.480 -9.565 5.652 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.572 -9.741 7.535 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.385 -8.604 5.669 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.061 -8.688 6.801 1.00 0.00 N ATOM 0 H HIS A 46 9.129 -9.941 8.266 1.00 0.00 H new ATOM 0 HA HIS A 46 9.242 -10.829 5.659 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.693 -11.657 8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.095 -12.360 6.634 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.920 -10.062 8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.545 -7.873 4.890 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.822 -8.071 7.084 1.00 0.00 H new ATOM 660 N GLY A 47 7.902 -12.893 5.436 1.00 0.00 N ATOM 661 CA GLY A 47 7.196 -14.149 5.256 1.00 0.00 C ATOM 662 C GLY A 47 5.779 -13.950 4.756 1.00 0.00 C ATOM 663 O GLY A 47 5.199 -14.844 4.141 1.00 0.00 O ATOM 0 H GLY A 47 7.866 -12.263 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.744 -14.772 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.172 -14.688 6.203 1.00 0.00 H new ATOM 667 N GLY A 48 5.218 -12.774 5.022 1.00 0.00 N ATOM 668 CA GLY A 48 3.863 -12.483 4.590 1.00 0.00 C ATOM 669 C GLY A 48 3.707 -12.557 3.084 1.00 0.00 C ATOM 670 O GLY A 48 4.679 -12.714 2.344 1.00 0.00 O ATOM 0 H GLY A 48 5.678 -12.018 5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.176 -13.188 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.581 -11.487 4.933 1.00 0.00 H new ATOM 674 N PRO A 49 2.458 -12.443 2.608 1.00 0.00 N ATOM 675 CA PRO A 49 2.149 -12.496 1.176 1.00 0.00 C ATOM 676 C PRO A 49 2.650 -11.265 0.429 1.00 0.00 C ATOM 677 O PRO A 49 2.896 -11.316 -0.776 1.00 0.00 O ATOM 678 CB PRO A 49 0.620 -12.554 1.146 1.00 0.00 C ATOM 679 CG PRO A 49 0.191 -11.916 2.421 1.00 0.00 C ATOM 680 CD PRO A 49 1.252 -12.254 3.431 1.00 0.00 C ATOM 0 HA PRO A 49 2.631 -13.342 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.221 -12.021 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.264 -13.582 1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.094 -10.837 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.782 -12.291 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.384 -11.453 4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.002 -13.155 3.990 1.00 0.00 H new ATOM 688 N ALA A 50 2.800 -10.160 1.151 1.00 0.00 N ATOM 689 CA ALA A 50 3.274 -8.917 0.557 1.00 0.00 C ATOM 690 C ALA A 50 4.788 -8.787 0.690 1.00 0.00 C ATOM 691 O ALA A 50 5.470 -8.383 -0.251 1.00 0.00 O ATOM 692 CB ALA A 50 2.582 -7.725 1.201 1.00 0.00 C ATOM 0 H ALA A 50 2.600 -10.100 2.149 1.00 0.00 H new ATOM 0 HA ALA A 50 3.028 -8.935 -0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.947 -6.804 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.506 -7.803 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.797 -7.713 2.269 1.00 0.00 H new ATOM 698 N GLU A 51 5.306 -9.132 1.865 1.00 0.00 N ATOM 699 CA GLU A 51 6.739 -9.052 2.120 1.00 0.00 C ATOM 700 C GLU A 51 7.495 -10.104 1.313 1.00 0.00 C ATOM 701 O GLU A 51 8.532 -9.815 0.716 1.00 0.00 O ATOM 702 CB GLU A 51 7.025 -9.237 3.612 1.00 0.00 C ATOM 703 CG GLU A 51 8.491 -9.074 3.976 1.00 0.00 C ATOM 704 CD GLU A 51 9.099 -7.811 3.397 1.00 0.00 C ATOM 705 OE1 GLU A 51 9.449 -7.817 2.198 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.225 -6.817 4.142 1.00 0.00 O ATOM 0 H GLU A 51 4.755 -9.469 2.654 1.00 0.00 H new ATOM 0 HA GLU A 51 7.082 -8.065 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.436 -8.515 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.692 -10.229 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.592 -9.057 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.049 -9.939 3.617 1.00 0.00 H new ATOM 713 N ARG A 52 6.968 -11.323 1.300 1.00 0.00 N ATOM 714 CA ARG A 52 7.593 -12.418 0.568 1.00 0.00 C ATOM 715 C ARG A 52 8.069 -11.953 -0.805 1.00 0.00 C ATOM 716 O ARG A 52 9.152 -12.325 -1.256 1.00 0.00 O ATOM 717 CB ARG A 52 6.612 -13.581 0.412 1.00 0.00 C ATOM 718 CG ARG A 52 5.384 -13.235 -0.414 1.00 0.00 C ATOM 719 CD ARG A 52 4.454 -14.430 -0.558 1.00 0.00 C ATOM 720 NE ARG A 52 4.970 -15.414 -1.506 1.00 0.00 N ATOM 721 CZ ARG A 52 4.582 -16.684 -1.531 1.00 0.00 C ATOM 722 NH1 ARG A 52 3.677 -17.122 -0.666 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.098 -17.519 -2.424 1.00 0.00 N ATOM 0 H ARG A 52 6.109 -11.578 1.788 1.00 0.00 H new ATOM 0 HA ARG A 52 8.458 -12.755 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.128 -14.421 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.293 -13.912 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.848 -12.410 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.693 -12.892 -1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.316 -14.902 0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.473 -14.088 -0.888 1.00 0.00 H new ATOM 0 HE ARG A 52 5.666 -15.109 -2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.277 -16.483 0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.381 -18.098 -0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.793 -17.186 -3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.799 -18.494 -2.443 1.00 0.00 H new ATOM 737 N SER A 53 7.252 -11.137 -1.463 1.00 0.00 N ATOM 738 CA SER A 53 7.588 -10.624 -2.787 1.00 0.00 C ATOM 739 C SER A 53 9.039 -10.157 -2.836 1.00 0.00 C ATOM 740 O SER A 53 9.756 -10.424 -3.800 1.00 0.00 O ATOM 741 CB SER A 53 6.656 -9.469 -3.160 1.00 0.00 C ATOM 742 OG SER A 53 6.931 -8.319 -2.380 1.00 0.00 O ATOM 0 H SER A 53 6.353 -10.817 -1.102 1.00 0.00 H new ATOM 0 HA SER A 53 7.460 -11.433 -3.507 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.772 -9.231 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.619 -9.772 -3.013 1.00 0.00 H new ATOM 0 HG SER A 53 6.689 -8.492 -1.446 1.00 0.00 H new ATOM 748 N GLY A 54 9.466 -9.458 -1.789 1.00 0.00 N ATOM 749 CA GLY A 54 10.830 -8.965 -1.732 1.00 0.00 C ATOM 750 C GLY A 54 10.959 -7.554 -2.271 1.00 0.00 C ATOM 751 O GLY A 54 11.753 -6.760 -1.767 1.00 0.00 O ATOM 0 H GLY A 54 8.892 -9.224 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.179 -8.990 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.478 -9.630 -2.304 1.00 0.00 H new ATOM 755 N ALA A 55 10.179 -7.242 -3.300 1.00 0.00 N ATOM 756 CA ALA A 55 10.209 -5.918 -3.908 1.00 0.00 C ATOM 757 C ALA A 55 9.574 -4.878 -2.992 1.00 0.00 C ATOM 758 O ALA A 55 9.999 -3.723 -2.958 1.00 0.00 O ATOM 759 CB ALA A 55 9.502 -5.939 -5.256 1.00 0.00 C ATOM 0 H ALA A 55 9.518 -7.889 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 55 11.252 -5.640 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.532 -4.943 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.002 -6.646 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.464 -6.243 -5.118 1.00 0.00 H new ATOM 765 N LEU A 56 8.553 -5.295 -2.250 1.00 0.00 N ATOM 766 CA LEU A 56 7.858 -4.399 -1.333 1.00 0.00 C ATOM 767 C LEU A 56 8.515 -4.412 0.044 1.00 0.00 C ATOM 768 O LEU A 56 8.421 -5.396 0.778 1.00 0.00 O ATOM 769 CB LEU A 56 6.387 -4.801 -1.212 1.00 0.00 C ATOM 770 CG LEU A 56 5.659 -5.085 -2.527 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.562 -6.117 -2.318 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.082 -3.800 -3.105 1.00 0.00 C ATOM 0 H LEU A 56 8.189 -6.248 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 56 7.920 -3.388 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.324 -5.691 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.855 -4.006 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 56 6.379 -5.489 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.055 -6.306 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.000 -7.044 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.843 -5.741 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.568 -4.021 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.376 -3.367 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.889 -3.091 -3.293 1.00 0.00 H new ATOM 784 N SER A 57 9.178 -3.313 0.388 1.00 0.00 N ATOM 785 CA SER A 57 9.852 -3.198 1.676 1.00 0.00 C ATOM 786 C SER A 57 9.428 -1.924 2.400 1.00 0.00 C ATOM 787 O SER A 57 8.553 -1.194 1.933 1.00 0.00 O ATOM 788 CB SER A 57 11.369 -3.209 1.484 1.00 0.00 C ATOM 789 OG SER A 57 11.773 -2.216 0.556 1.00 0.00 O ATOM 0 H SER A 57 9.263 -2.489 -0.207 1.00 0.00 H new ATOM 0 HA SER A 57 9.564 -4.054 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.861 -3.038 2.441 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.687 -4.191 1.133 1.00 0.00 H new ATOM 0 HG SER A 57 12.747 -2.242 0.452 1.00 0.00 H new ATOM 795 N ILE A 58 10.054 -1.664 3.543 1.00 0.00 N ATOM 796 CA ILE A 58 9.743 -0.478 4.331 1.00 0.00 C ATOM 797 C ILE A 58 10.177 0.792 3.607 1.00 0.00 C ATOM 798 O ILE A 58 11.361 0.994 3.341 1.00 0.00 O ATOM 799 CB ILE A 58 10.422 -0.526 5.712 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.863 -1.685 6.540 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.231 0.795 6.443 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.614 -2.983 6.346 1.00 0.00 C ATOM 0 H ILE A 58 10.779 -2.259 3.944 1.00 0.00 H new ATOM 0 HA ILE A 58 8.662 -0.464 4.467 1.00 0.00 H new ATOM 0 HB ILE A 58 11.490 -0.689 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.890 -1.413 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.816 -1.837 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.717 0.745 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.673 1.602 5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.166 0.986 6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.163 -3.760 6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.565 -3.278 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.656 -2.848 6.637 1.00 0.00 H new ATOM 814 N GLY A 59 9.209 1.648 3.292 1.00 0.00 N ATOM 815 CA GLY A 59 9.511 2.889 2.604 1.00 0.00 C ATOM 816 C GLY A 59 8.523 3.192 1.494 1.00 0.00 C ATOM 817 O GLY A 59 7.917 4.263 1.469 1.00 0.00 O ATOM 0 H GLY A 59 8.221 1.504 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.509 3.709 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.516 2.834 2.186 1.00 0.00 H new ATOM 821 N ASP A 60 8.363 2.248 0.574 1.00 0.00 N ATOM 822 CA ASP A 60 7.443 2.419 -0.545 1.00 0.00 C ATOM 823 C ASP A 60 6.191 3.173 -0.108 1.00 0.00 C ATOM 824 O ASP A 60 5.786 3.103 1.053 1.00 0.00 O ATOM 825 CB ASP A 60 7.056 1.058 -1.127 1.00 0.00 C ATOM 826 CG ASP A 60 8.243 0.123 -1.250 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.100 0.365 -2.125 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.314 -0.852 -0.472 1.00 0.00 O ATOM 0 H ASP A 60 8.858 1.356 0.580 1.00 0.00 H new ATOM 0 HA ASP A 60 7.949 3.004 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.298 0.597 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.606 1.201 -2.110 1.00 0.00 H new ATOM 833 N ARG A 61 5.583 3.894 -1.044 1.00 0.00 N ATOM 834 CA ARG A 61 4.379 4.663 -0.755 1.00 0.00 C ATOM 835 C ARG A 61 3.188 4.125 -1.542 1.00 0.00 C ATOM 836 O ARG A 61 3.137 4.238 -2.768 1.00 0.00 O ATOM 837 CB ARG A 61 4.599 6.140 -1.089 1.00 0.00 C ATOM 838 CG ARG A 61 3.349 6.991 -0.938 1.00 0.00 C ATOM 839 CD ARG A 61 2.515 6.987 -2.209 1.00 0.00 C ATOM 840 NE ARG A 61 1.771 8.233 -2.380 1.00 0.00 N ATOM 841 CZ ARG A 61 0.627 8.497 -1.758 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.099 7.607 -0.928 1.00 0.00 N ATOM 843 NH2 ARG A 61 0.010 9.653 -1.964 1.00 0.00 N ATOM 0 H ARG A 61 5.905 3.962 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 61 4.163 4.566 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.380 6.538 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.963 6.222 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.750 6.616 -0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.632 8.014 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.166 6.833 -3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.818 6.149 -2.183 1.00 0.00 H new ATOM 0 HE ARG A 61 2.151 8.939 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.571 6.718 -0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.779 7.812 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.414 10.340 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.868 9.855 -1.486 1.00 0.00 H new ATOM 857 N LEU A 62 2.232 3.538 -0.830 1.00 0.00 N ATOM 858 CA LEU A 62 1.041 2.981 -1.462 1.00 0.00 C ATOM 859 C LEU A 62 0.065 4.086 -1.855 1.00 0.00 C ATOM 860 O LEU A 62 -0.105 5.066 -1.129 1.00 0.00 O ATOM 861 CB LEU A 62 0.355 1.991 -0.518 1.00 0.00 C ATOM 862 CG LEU A 62 -0.946 1.370 -1.027 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.255 0.085 -0.274 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.096 2.357 -0.896 1.00 0.00 C ATOM 0 H LEU A 62 2.258 3.436 0.184 1.00 0.00 H new ATOM 0 HA LEU A 62 1.351 2.457 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.056 1.186 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.147 2.501 0.423 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.821 1.127 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.184 -0.343 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.443 -0.627 -0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.360 0.302 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.014 1.897 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.222 2.632 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.878 3.250 -1.482 1.00 0.00 H new ATOM 876 N THR A 63 -0.575 3.920 -3.008 1.00 0.00 N ATOM 877 CA THR A 63 -1.534 4.902 -3.498 1.00 0.00 C ATOM 878 C THR A 63 -2.935 4.308 -3.583 1.00 0.00 C ATOM 879 O THR A 63 -3.924 4.982 -3.295 1.00 0.00 O ATOM 880 CB THR A 63 -1.131 5.438 -4.885 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.282 4.409 -5.870 1.00 0.00 O ATOM 882 CG2 THR A 63 0.308 5.933 -4.878 1.00 0.00 C ATOM 0 H THR A 63 -0.446 3.114 -3.620 1.00 0.00 H new ATOM 0 HA THR A 63 -1.534 5.726 -2.784 1.00 0.00 H new ATOM 0 HB THR A 63 -1.785 6.275 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.026 4.758 -6.749 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.569 6.306 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.413 6.736 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.974 5.112 -4.613 1.00 0.00 H new ATOM 890 N ALA A 64 -3.012 3.041 -3.978 1.00 0.00 N ATOM 891 CA ALA A 64 -4.293 2.356 -4.097 1.00 0.00 C ATOM 892 C ALA A 64 -4.157 0.875 -3.757 1.00 0.00 C ATOM 893 O ALA A 64 -3.047 0.351 -3.658 1.00 0.00 O ATOM 894 CB ALA A 64 -4.855 2.527 -5.501 1.00 0.00 C ATOM 0 H ALA A 64 -2.203 2.469 -4.221 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.984 2.804 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.812 2.010 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.998 3.587 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.158 2.106 -6.226 1.00 0.00 H new ATOM 900 N ILE A 65 -5.291 0.207 -3.580 1.00 0.00 N ATOM 901 CA ILE A 65 -5.297 -1.213 -3.251 1.00 0.00 C ATOM 902 C ILE A 65 -6.385 -1.951 -4.024 1.00 0.00 C ATOM 903 O ILE A 65 -7.575 -1.744 -3.792 1.00 0.00 O ATOM 904 CB ILE A 65 -5.510 -1.441 -1.743 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.248 -1.065 -0.965 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.892 -2.889 -1.475 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.356 -1.321 0.522 1.00 0.00 C ATOM 0 H ILE A 65 -6.218 0.626 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.321 -1.607 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.326 -0.802 -1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.404 -1.629 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.031 -0.010 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.039 -3.034 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.815 -3.126 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.096 -3.546 -1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.425 -1.031 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.179 -0.736 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.542 -2.381 0.696 1.00 0.00 H new ATOM 919 N ASN A 66 -5.967 -2.816 -4.943 1.00 0.00 N ATOM 920 CA ASN A 66 -6.905 -3.587 -5.750 1.00 0.00 C ATOM 921 C ASN A 66 -7.817 -2.665 -6.554 1.00 0.00 C ATOM 922 O ASN A 66 -8.932 -3.038 -6.915 1.00 0.00 O ATOM 923 CB ASN A 66 -7.746 -4.502 -4.857 1.00 0.00 C ATOM 924 CG ASN A 66 -6.966 -5.022 -3.665 1.00 0.00 C ATOM 925 OD1 ASN A 66 -7.349 -4.804 -2.516 1.00 0.00 O ATOM 926 ND2 ASN A 66 -5.865 -5.714 -3.935 1.00 0.00 N ATOM 0 H ASN A 66 -4.985 -3.000 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.330 -4.198 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.622 -3.957 -4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.110 -5.344 -5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.299 -6.089 -3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.586 -5.870 -4.903 1.00 0.00 H new ATOM 933 N GLY A 67 -7.334 -1.458 -6.830 1.00 0.00 N ATOM 934 CA GLY A 67 -8.117 -0.501 -7.590 1.00 0.00 C ATOM 935 C GLY A 67 -8.643 0.631 -6.729 1.00 0.00 C ATOM 936 O GLY A 67 -8.950 1.713 -7.232 1.00 0.00 O ATOM 0 H GLY A 67 -6.414 -1.125 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.504 -0.089 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.955 -1.014 -8.062 1.00 0.00 H new ATOM 940 N THR A 68 -8.748 0.383 -5.428 1.00 0.00 N ATOM 941 CA THR A 68 -9.243 1.389 -4.496 1.00 0.00 C ATOM 942 C THR A 68 -8.240 2.524 -4.329 1.00 0.00 C ATOM 943 O THR A 68 -7.203 2.360 -3.686 1.00 0.00 O ATOM 944 CB THR A 68 -9.541 0.776 -3.114 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.561 -0.222 -3.231 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.985 1.848 -2.131 1.00 0.00 C ATOM 0 H THR A 68 -8.497 -0.506 -4.995 1.00 0.00 H new ATOM 0 HA THR A 68 -10.167 1.783 -4.918 1.00 0.00 H new ATOM 0 HB THR A 68 -8.626 0.318 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.744 -0.608 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.190 1.391 -1.163 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.195 2.591 -2.022 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.889 2.331 -2.503 1.00 0.00 H new ATOM 954 N SER A 69 -8.556 3.677 -4.911 1.00 0.00 N ATOM 955 CA SER A 69 -7.680 4.840 -4.830 1.00 0.00 C ATOM 956 C SER A 69 -7.645 5.395 -3.409 1.00 0.00 C ATOM 957 O SER A 69 -8.528 6.153 -3.004 1.00 0.00 O ATOM 958 CB SER A 69 -8.147 5.925 -5.802 1.00 0.00 C ATOM 959 OG SER A 69 -9.423 6.422 -5.437 1.00 0.00 O ATOM 0 H SER A 69 -9.412 3.830 -5.444 1.00 0.00 H new ATOM 0 HA SER A 69 -6.673 4.526 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.425 6.742 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.187 5.519 -6.813 1.00 0.00 H new ATOM 0 HG SER A 69 -9.493 6.458 -4.460 1.00 0.00 H new ATOM 965 N LEU A 70 -6.620 5.012 -2.656 1.00 0.00 N ATOM 966 CA LEU A 70 -6.468 5.471 -1.280 1.00 0.00 C ATOM 967 C LEU A 70 -5.750 6.815 -1.230 1.00 0.00 C ATOM 968 O LEU A 70 -5.867 7.558 -0.255 1.00 0.00 O ATOM 969 CB LEU A 70 -5.695 4.436 -0.459 1.00 0.00 C ATOM 970 CG LEU A 70 -6.420 3.118 -0.188 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.503 2.143 0.534 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.685 3.361 0.623 1.00 0.00 C ATOM 0 H LEU A 70 -5.882 4.385 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.463 5.596 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.762 4.214 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.430 4.885 0.498 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.704 2.679 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.036 1.210 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.626 1.944 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.188 2.575 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.188 2.411 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.424 3.823 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.351 4.023 0.069 1.00 0.00 H new ATOM 984 N VAL A 71 -5.007 7.124 -2.288 1.00 0.00 N ATOM 985 CA VAL A 71 -4.273 8.381 -2.367 1.00 0.00 C ATOM 986 C VAL A 71 -5.174 9.565 -2.038 1.00 0.00 C ATOM 987 O VAL A 71 -6.112 9.868 -2.775 1.00 0.00 O ATOM 988 CB VAL A 71 -3.661 8.587 -3.766 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.756 8.700 -4.816 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.768 9.818 -3.780 1.00 0.00 C ATOM 0 H VAL A 71 -4.898 6.520 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.470 8.325 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.048 7.719 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.305 8.845 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.351 7.787 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.398 9.549 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.344 9.949 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.356 10.697 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.963 9.692 -3.056 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.882 10.234 -0.927 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.675 11.379 -0.520 1.00 0.00 C ATOM 1002 C GLY A 72 -6.478 11.111 0.738 1.00 0.00 C ATOM 1003 O GLY A 72 -6.751 12.026 1.516 1.00 0.00 O ATOM 0 H GLY A 72 -4.110 10.003 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.017 12.232 -0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.353 11.653 -1.328 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.859 9.854 0.938 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.637 9.468 2.110 1.00 0.00 C ATOM 1009 C LEU A 73 -6.750 9.380 3.348 1.00 0.00 C ATOM 1010 O LEU A 73 -5.541 9.161 3.261 1.00 0.00 O ATOM 1011 CB LEU A 73 -8.329 8.126 1.867 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.523 8.149 0.914 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.914 6.735 0.513 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.702 8.869 1.553 1.00 0.00 C ATOM 0 H LEU A 73 -6.642 9.085 0.304 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.393 10.234 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.591 7.425 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.664 7.734 2.827 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.234 8.693 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.766 6.772 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.073 6.253 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.183 6.166 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.543 8.876 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.990 8.353 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.418 9.895 1.788 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.362 9.552 4.529 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.647 9.494 5.807 1.00 0.00 C ATOM 1028 C PRO A 74 -6.179 8.083 6.145 1.00 0.00 C ATOM 1029 O PRO A 74 -6.818 7.099 5.770 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.692 9.967 6.820 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.004 9.651 6.187 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.800 9.817 4.706 1.00 0.00 C ATOM 0 HA PRO A 74 -5.741 10.099 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.579 9.453 7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.595 11.034 7.019 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.318 8.635 6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.784 10.320 6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.411 9.118 4.135 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.068 10.820 4.373 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.060 7.990 6.856 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.506 6.698 7.245 1.00 0.00 C ATOM 1042 C LEU A 75 -5.616 5.719 7.617 1.00 0.00 C ATOM 1043 O LEU A 75 -5.643 4.586 7.138 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.545 6.867 8.423 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.128 5.582 9.139 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.163 4.781 8.279 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.502 5.903 10.489 1.00 0.00 C ATOM 0 H LEU A 75 -4.519 8.794 7.175 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.960 6.293 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.646 7.367 8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.009 7.531 9.152 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.019 4.977 9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.877 3.870 8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.646 4.520 7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.274 5.378 8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.211 4.977 10.985 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.621 6.528 10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.225 6.434 11.108 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.530 6.166 8.471 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.645 5.331 8.903 1.00 0.00 C ATOM 1061 C ALA A 76 -8.242 4.563 7.729 1.00 0.00 C ATOM 1062 O ALA A 76 -8.483 3.359 7.822 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.711 6.182 9.577 1.00 0.00 C ATOM 0 H ALA A 76 -6.521 7.101 8.878 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.266 4.605 9.623 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.537 5.546 9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.282 6.681 10.446 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.078 6.930 8.874 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.480 5.266 6.627 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.048 4.648 5.435 1.00 0.00 C ATOM 1071 C ALA A 77 -8.189 3.481 4.959 1.00 0.00 C ATOM 1072 O ALA A 77 -8.696 2.386 4.712 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.199 5.681 4.327 1.00 0.00 C ATOM 0 H ALA A 77 -8.288 6.264 6.535 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.033 4.259 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.624 5.206 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.859 6.481 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.222 6.097 4.081 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.889 3.723 4.831 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.961 2.691 4.382 1.00 0.00 C ATOM 1081 C CYS A 78 -5.916 1.532 5.373 1.00 0.00 C ATOM 1082 O CYS A 78 -5.883 0.367 4.977 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.560 3.279 4.204 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.469 4.609 2.982 1.00 0.00 S ATOM 0 H CYS A 78 -6.454 4.624 5.031 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.314 2.312 3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.212 3.658 5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.877 2.482 3.909 1.00 0.00 H new ATOM 0 HG CYS A 78 -5.671 4.957 2.630 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.914 1.861 6.661 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.871 0.846 7.707 1.00 0.00 C ATOM 1092 C GLN A 79 -7.088 -0.070 7.628 1.00 0.00 C ATOM 1093 O GLN A 79 -6.979 -1.281 7.817 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.804 1.507 9.085 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.385 1.771 9.564 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.335 2.727 10.740 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.359 3.267 11.160 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.141 2.942 11.278 1.00 0.00 N ATOM 0 H GLN A 79 -5.942 2.821 7.005 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.976 0.243 7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.350 2.450 9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.311 0.870 9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.920 0.827 9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.798 2.181 8.742 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.319 2.473 10.898 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.046 3.576 12.071 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.247 0.518 7.348 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.484 -0.246 7.243 1.00 0.00 C ATOM 1109 C ALA A 80 -9.520 -1.058 5.953 1.00 0.00 C ATOM 1110 O ALA A 80 -10.033 -2.177 5.927 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.686 0.685 7.316 1.00 0.00 C ATOM 0 H ALA A 80 -8.355 1.520 7.190 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.525 -0.942 8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.603 0.102 7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.676 1.218 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.640 1.403 6.497 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.971 -0.489 4.885 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.939 -1.161 3.592 1.00 0.00 C ATOM 1119 C ALA A 81 -7.996 -2.359 3.620 1.00 0.00 C ATOM 1120 O ALA A 81 -8.395 -3.484 3.316 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.526 -0.186 2.500 1.00 0.00 C ATOM 0 H ALA A 81 -8.542 0.436 4.890 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.943 -1.527 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.506 -0.702 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.241 0.635 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.534 0.208 2.720 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.742 -2.111 3.985 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.742 -3.169 4.052 1.00 0.00 C ATOM 1129 C VAL A 82 -6.296 -4.405 4.751 1.00 0.00 C ATOM 1130 O VAL A 82 -5.826 -5.521 4.527 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.476 -2.698 4.792 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.787 -2.411 6.253 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.370 -3.736 4.668 1.00 0.00 C ATOM 0 H VAL A 82 -6.395 -1.186 4.239 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.480 -3.423 3.025 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.129 -1.773 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.881 -2.079 6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.545 -1.630 6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.159 -3.317 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.483 -3.387 5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.705 -4.678 5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.129 -3.887 3.616 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.299 -4.199 5.599 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.917 -5.297 6.332 1.00 0.00 C ATOM 1145 C ARG A 83 -8.827 -6.116 5.420 1.00 0.00 C ATOM 1146 O ARG A 83 -8.890 -7.340 5.528 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.718 -4.759 7.519 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.866 -4.036 8.550 1.00 0.00 C ATOM 1149 CD ARG A 83 -7.191 -5.014 9.500 1.00 0.00 C ATOM 1150 NE ARG A 83 -8.144 -5.627 10.422 1.00 0.00 N ATOM 1151 CZ ARG A 83 -7.801 -6.140 11.598 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -6.536 -6.114 11.994 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -8.725 -6.681 12.382 1.00 0.00 N ATOM 0 H ARG A 83 -7.700 -3.282 5.795 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.123 -5.946 6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.484 -4.077 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.235 -5.587 8.003 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.109 -3.438 8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.489 -3.346 9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.692 -5.793 8.924 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.420 -4.494 10.068 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.126 -5.663 10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.822 -5.699 11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.276 -6.509 12.898 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.699 -6.703 12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.461 -7.075 13.285 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.529 -5.430 4.524 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.436 -6.094 3.595 1.00 0.00 C ATOM 1169 C GLU A 84 -9.710 -7.182 2.810 1.00 0.00 C ATOM 1170 O GLU A 84 -10.175 -8.319 2.725 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.049 -5.076 2.631 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.101 -4.187 3.272 1.00 0.00 C ATOM 1173 CD GLU A 84 -12.706 -3.199 2.293 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -12.104 -2.123 2.090 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -13.779 -3.501 1.730 1.00 0.00 O ATOM 0 H GLU A 84 -9.487 -4.416 4.422 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.233 -6.560 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.255 -4.450 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.497 -5.607 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.892 -4.810 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.653 -3.642 4.103 1.00 0.00 H new ATOM 1182 N THR A 85 -8.566 -6.825 2.235 1.00 0.00 N ATOM 1183 CA THR A 85 -7.775 -7.769 1.455 1.00 0.00 C ATOM 1184 C THR A 85 -7.545 -9.063 2.226 1.00 0.00 C ATOM 1185 O THR A 85 -7.410 -10.135 1.635 1.00 0.00 O ATOM 1186 CB THR A 85 -6.412 -7.170 1.062 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.688 -6.787 2.237 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.592 -5.961 0.155 1.00 0.00 C ATOM 0 H THR A 85 -8.166 -5.888 2.295 1.00 0.00 H new ATOM 0 HA THR A 85 -8.343 -7.985 0.550 1.00 0.00 H new ATOM 0 HB THR A 85 -5.849 -7.930 0.520 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.225 -6.156 2.761 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.615 -5.556 -0.109 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.117 -6.261 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.173 -5.199 0.675 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.504 -8.958 3.550 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.292 -10.120 4.404 1.00 0.00 C ATOM 1198 C LYS A 86 -7.941 -11.363 3.803 1.00 0.00 C ATOM 1199 O LYS A 86 -7.354 -12.445 3.807 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.859 -9.862 5.802 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.489 -10.930 6.816 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.230 -10.735 8.128 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.847 -11.796 9.148 1.00 0.00 C ATOM 1204 NZ LYS A 86 -8.625 -11.659 10.410 1.00 0.00 N ATOM 0 H LYS A 86 -7.615 -8.079 4.055 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.218 -10.292 4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.501 -8.896 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.945 -9.795 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.720 -11.915 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.414 -10.904 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.008 -9.746 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.305 -10.772 7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.015 -12.786 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.782 -11.721 9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.335 -12.400 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.445 -10.724 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.640 -11.756 10.205 1.00 0.00 H new ATOM 1218 N SER A 87 -9.155 -11.199 3.285 1.00 0.00 N ATOM 1219 CA SER A 87 -9.884 -12.309 2.681 1.00 0.00 C ATOM 1220 C SER A 87 -9.419 -12.549 1.248 1.00 0.00 C ATOM 1221 O SER A 87 -9.137 -13.682 0.858 1.00 0.00 O ATOM 1222 CB SER A 87 -11.388 -12.029 2.702 1.00 0.00 C ATOM 1223 OG SER A 87 -12.124 -13.169 2.294 1.00 0.00 O ATOM 0 H SER A 87 -9.654 -10.309 3.272 1.00 0.00 H new ATOM 0 HA SER A 87 -9.680 -13.207 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.693 -11.736 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.614 -11.191 2.043 1.00 0.00 H new ATOM 0 HG SER A 87 -13.082 -12.965 2.317 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.342 -11.474 0.470 1.00 0.00 N ATOM 1230 CA GLN A 88 -8.912 -11.568 -0.920 1.00 0.00 C ATOM 1231 C GLN A 88 -7.640 -12.401 -1.042 1.00 0.00 C ATOM 1232 O GLN A 88 -6.620 -12.090 -0.425 1.00 0.00 O ATOM 1233 CB GLN A 88 -8.678 -10.171 -1.499 1.00 0.00 C ATOM 1234 CG GLN A 88 -9.961 -9.396 -1.752 1.00 0.00 C ATOM 1235 CD GLN A 88 -9.780 -7.900 -1.590 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -10.113 -7.332 -0.549 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -9.250 -7.252 -2.621 1.00 0.00 N ATOM 0 H GLN A 88 -9.571 -10.529 0.778 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.703 -12.061 -1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.049 -9.603 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.127 -10.262 -2.435 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.316 -9.608 -2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.732 -9.742 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.989 -7.763 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.104 -6.244 -2.569 1.00 0.00 H new ATOM 1246 N THR A 89 -7.706 -13.461 -1.840 1.00 0.00 N ATOM 1247 CA THR A 89 -6.561 -14.340 -2.041 1.00 0.00 C ATOM 1248 C THR A 89 -5.475 -13.649 -2.858 1.00 0.00 C ATOM 1249 O THR A 89 -4.432 -14.237 -3.144 1.00 0.00 O ATOM 1250 CB THR A 89 -6.971 -15.643 -2.752 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.584 -15.343 -4.011 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.934 -16.449 -1.893 1.00 0.00 C ATOM 0 H THR A 89 -8.541 -13.732 -2.359 1.00 0.00 H new ATOM 0 HA THR A 89 -6.171 -14.582 -1.052 1.00 0.00 H new ATOM 0 HB THR A 89 -6.073 -16.237 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.840 -16.177 -4.457 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.209 -17.365 -2.416 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.454 -16.702 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.830 -15.859 -1.699 1.00 0.00 H new ATOM 1260 N SER A 90 -5.726 -12.398 -3.230 1.00 0.00 N ATOM 1261 CA SER A 90 -4.770 -11.627 -4.017 1.00 0.00 C ATOM 1262 C SER A 90 -4.610 -10.220 -3.451 1.00 0.00 C ATOM 1263 O SER A 90 -5.464 -9.736 -2.708 1.00 0.00 O ATOM 1264 CB SER A 90 -5.221 -11.554 -5.477 1.00 0.00 C ATOM 1265 OG SER A 90 -6.405 -10.787 -5.607 1.00 0.00 O ATOM 0 H SER A 90 -6.584 -11.896 -2.999 1.00 0.00 H new ATOM 0 HA SER A 90 -3.805 -12.131 -3.967 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.430 -11.113 -6.084 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.392 -12.560 -5.859 1.00 0.00 H new ATOM 0 HG SER A 90 -6.672 -10.754 -6.549 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.508 -9.567 -3.808 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.235 -8.214 -3.337 1.00 0.00 C ATOM 1273 C VAL A 91 -2.366 -7.452 -4.331 1.00 0.00 C ATOM 1274 O VAL A 91 -1.208 -7.804 -4.559 1.00 0.00 O ATOM 1275 CB VAL A 91 -2.536 -8.228 -1.965 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.154 -6.816 -1.546 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -3.427 -8.881 -0.920 1.00 0.00 C ATOM 0 H VAL A 91 -2.790 -9.953 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.197 -7.711 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.622 -8.816 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.661 -6.846 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.475 -6.388 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.051 -6.201 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.917 -8.882 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.359 -8.322 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.644 -9.907 -1.217 1.00 0.00 H new ATOM 1287 N THR A 92 -2.931 -6.404 -4.921 1.00 0.00 N ATOM 1288 CA THR A 92 -2.209 -5.591 -5.892 1.00 0.00 C ATOM 1289 C THR A 92 -1.826 -4.239 -5.300 1.00 0.00 C ATOM 1290 O THR A 92 -2.653 -3.331 -5.213 1.00 0.00 O ATOM 1291 CB THR A 92 -3.044 -5.363 -7.166 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.557 -6.611 -7.645 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.206 -4.703 -8.251 1.00 0.00 C ATOM 0 H THR A 92 -3.888 -6.098 -4.743 1.00 0.00 H new ATOM 0 HA THR A 92 -1.304 -6.140 -6.153 1.00 0.00 H new ATOM 0 HB THR A 92 -3.874 -4.701 -6.917 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.022 -6.913 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.817 -4.552 -9.141 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.841 -3.740 -7.894 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.359 -5.344 -8.497 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.567 -4.111 -4.896 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.073 -2.869 -4.313 1.00 0.00 C ATOM 1303 C LEU A 93 0.462 -1.935 -5.394 1.00 0.00 C ATOM 1304 O LEU A 93 1.129 -2.371 -6.331 1.00 0.00 O ATOM 1305 CB LEU A 93 1.025 -3.163 -3.289 1.00 0.00 C ATOM 1306 CG LEU A 93 0.616 -4.031 -2.098 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.827 -4.368 -1.243 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.448 -3.329 -1.267 1.00 0.00 C ATOM 0 H LEU A 93 0.130 -4.852 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.906 -2.376 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.852 -3.653 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.403 -2.214 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 93 0.195 -4.962 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.517 -4.986 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.556 -4.912 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.278 -3.448 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.727 -3.961 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.054 -2.383 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.326 -3.140 -1.885 1.00 0.00 H new ATOM 1320 N SER A 94 0.165 -0.646 -5.255 1.00 0.00 N ATOM 1321 CA SER A 94 0.614 0.350 -6.221 1.00 0.00 C ATOM 1322 C SER A 94 1.400 1.460 -5.530 1.00 0.00 C ATOM 1323 O SER A 94 0.914 2.085 -4.586 1.00 0.00 O ATOM 1324 CB SER A 94 -0.582 0.944 -6.966 1.00 0.00 C ATOM 1325 OG SER A 94 -0.226 1.318 -8.286 1.00 0.00 O ATOM 0 H SER A 94 -0.384 -0.268 -4.483 1.00 0.00 H new ATOM 0 HA SER A 94 1.270 -0.144 -6.938 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.393 0.216 -6.997 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.955 1.814 -6.426 1.00 0.00 H new ATOM 0 HG SER A 94 0.567 0.815 -8.566 1.00 0.00 H new ATOM 1331 N ILE A 95 2.617 1.700 -6.007 1.00 0.00 N ATOM 1332 CA ILE A 95 3.470 2.735 -5.436 1.00 0.00 C ATOM 1333 C ILE A 95 4.116 3.579 -6.530 1.00 0.00 C ATOM 1334 O ILE A 95 4.115 3.202 -7.702 1.00 0.00 O ATOM 1335 CB ILE A 95 4.575 2.129 -4.551 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.510 1.256 -5.391 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.962 1.320 -3.418 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.686 2.012 -5.969 1.00 0.00 C ATOM 0 H ILE A 95 3.034 1.192 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 95 2.830 3.368 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 95 5.159 2.941 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.882 0.438 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.941 0.808 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.756 0.898 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.333 1.968 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.357 0.514 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.306 1.331 -6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.323 2.813 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.278 2.438 -5.159 1.00 0.00 H new ATOM 1350 N VAL A 96 4.669 4.723 -6.138 1.00 0.00 N ATOM 1351 CA VAL A 96 5.321 5.620 -7.084 1.00 0.00 C ATOM 1352 C VAL A 96 6.819 5.346 -7.158 1.00 0.00 C ATOM 1353 O VAL A 96 7.499 5.272 -6.134 1.00 0.00 O ATOM 1354 CB VAL A 96 5.099 7.096 -6.703 1.00 0.00 C ATOM 1355 CG1 VAL A 96 5.807 8.014 -7.688 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.612 7.411 -6.641 1.00 0.00 C ATOM 0 H VAL A 96 4.678 5.050 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 96 4.871 5.432 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 96 5.525 7.267 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.639 9.053 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.876 7.803 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.414 7.845 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.473 8.458 -6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.160 7.225 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.137 6.777 -5.893 1.00 0.00 H new