USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 84 GLN : amide:sc= -0.254 X(o=0.94,f=0.99) USER MOD Set 1.2: A 88 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.09 (180deg=1.08) USER MOD Single : A 14 GLN :FLIP amide:sc=-0.00692 F(o=-1.2,f=-0.0069) USER MOD Single : A 20 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.5!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 MET CE :methyl -160:sc= -0.173 (180deg=-0.709) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -62:sc= 1.25 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -158:sc= 0.0454 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-6.2!) USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= 1.11 (180deg=0.00721) USER MOD Single : A 59 ASN :FLIP amide:sc= -2.43 F(o=-3.6!,f=-2.4) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc=-0.00432 (180deg=-0.0799) USER MOD Single : A 63 TYR OH : rot 165:sc= -0.615 USER MOD Single : A 65 MET CE :methyl 172:sc= -0.609 (180deg=-0.814) USER MOD Single : A 71 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.4!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= -0.0158 (180deg=-0.208) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Single : A 83 ASN : amide:sc= 0.285 K(o=0.28,f=-2.7!) USER MOD Single : A 89 THR OG1 : rot 80:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.994 8.883 5.348 1.00 0.00 N ATOM 85 CA ASP A 6 -9.471 7.587 4.934 1.00 0.00 C ATOM 86 C ASP A 6 -9.705 6.648 6.118 1.00 0.00 C ATOM 87 O ASP A 6 -8.836 6.516 7.003 1.00 0.00 O ATOM 88 CB ASP A 6 -8.483 6.958 3.974 1.00 0.00 C ATOM 89 CG ASP A 6 -9.131 5.892 3.156 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.322 4.777 3.660 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.516 6.196 2.000 1.00 0.00 O ATOM 0 HA ASP A 6 -10.431 7.738 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.071 7.724 3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.648 6.535 4.532 1.00 0.00 H new ATOM 96 N PRO A 7 -10.881 5.990 6.174 1.00 0.00 N ATOM 97 CA PRO A 7 -11.211 5.044 7.240 1.00 0.00 C ATOM 98 C PRO A 7 -10.434 3.724 7.136 1.00 0.00 C ATOM 99 O PRO A 7 -10.160 3.062 8.149 1.00 0.00 O ATOM 100 CB PRO A 7 -12.725 4.795 7.067 1.00 0.00 C ATOM 101 CG PRO A 7 -13.191 5.735 6.004 1.00 0.00 C ATOM 102 CD PRO A 7 -11.991 6.122 5.206 1.00 0.00 C ATOM 0 HA PRO A 7 -10.943 5.447 8.217 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.918 3.761 6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.257 4.972 8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.939 5.259 5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.660 6.614 6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.853 5.469 4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.073 7.140 4.824 1.00 0.00 H new ATOM 110 N GLU A 8 -10.099 3.324 5.944 1.00 0.00 N ATOM 111 CA GLU A 8 -9.380 2.087 5.760 1.00 0.00 C ATOM 112 C GLU A 8 -7.918 2.299 6.147 1.00 0.00 C ATOM 113 O GLU A 8 -7.243 1.390 6.636 1.00 0.00 O ATOM 114 CB GLU A 8 -9.531 1.600 4.327 1.00 0.00 C ATOM 115 CG GLU A 8 -10.979 1.366 3.913 1.00 0.00 C ATOM 116 CD GLU A 8 -11.650 0.205 4.630 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.138 0.363 5.791 1.00 0.00 O ATOM 118 OE2 GLU A 8 -11.771 -0.866 4.026 1.00 0.00 O ATOM 0 H GLU A 8 -10.309 3.831 5.084 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.793 1.311 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.083 2.331 3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.973 0.672 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.551 2.275 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.014 1.184 2.839 1.00 0.00 H new ATOM 125 N PHE A 9 -7.460 3.533 5.982 1.00 0.00 N ATOM 126 CA PHE A 9 -6.101 3.902 6.337 1.00 0.00 C ATOM 127 C PHE A 9 -5.862 3.771 7.846 1.00 0.00 C ATOM 128 O PHE A 9 -4.814 3.291 8.272 1.00 0.00 O ATOM 129 CB PHE A 9 -5.755 5.317 5.853 1.00 0.00 C ATOM 130 CG PHE A 9 -4.343 5.712 6.167 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.294 5.210 5.418 1.00 0.00 C ATOM 132 CD2 PHE A 9 -4.060 6.556 7.230 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.995 5.543 5.715 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.763 6.890 7.534 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.728 6.385 6.778 1.00 0.00 C ATOM 0 H PHE A 9 -8.016 4.299 5.602 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.436 3.204 5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.912 5.376 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.438 6.030 6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.499 4.548 4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.868 6.955 7.825 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.185 5.148 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.555 7.548 8.365 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.708 6.647 7.016 1.00 0.00 H new ATOM 145 N VAL A 10 -6.827 4.196 8.647 1.00 0.00 N ATOM 146 CA VAL A 10 -6.715 4.076 10.099 1.00 0.00 C ATOM 147 C VAL A 10 -6.651 2.600 10.506 1.00 0.00 C ATOM 148 O VAL A 10 -5.941 2.240 11.447 1.00 0.00 O ATOM 149 CB VAL A 10 -7.804 4.873 10.906 1.00 0.00 C ATOM 150 CG1 VAL A 10 -9.203 4.321 10.735 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.432 4.979 12.380 1.00 0.00 C ATOM 0 H VAL A 10 -7.693 4.625 8.322 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.778 4.558 10.376 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.820 5.876 10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.904 4.918 11.319 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.483 4.359 9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.231 3.288 11.081 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.204 5.535 12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.347 3.980 12.806 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.479 5.498 12.478 1.00 0.00 H new ATOM 161 N LYS A 11 -7.371 1.736 9.777 1.00 0.00 N ATOM 162 CA LYS A 11 -7.225 0.289 9.984 1.00 0.00 C ATOM 163 C LYS A 11 -5.777 -0.141 9.736 1.00 0.00 C ATOM 164 O LYS A 11 -5.206 -0.891 10.521 1.00 0.00 O ATOM 165 CB LYS A 11 -8.136 -0.510 9.078 1.00 0.00 C ATOM 166 CG LYS A 11 -9.599 -0.423 9.406 1.00 0.00 C ATOM 167 CD LYS A 11 -10.384 -1.218 8.396 1.00 0.00 C ATOM 168 CE LYS A 11 -11.845 -1.315 8.743 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.619 -1.782 7.586 1.00 0.00 N ATOM 0 H LYS A 11 -8.043 2.004 9.058 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.505 0.087 11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.989 -0.172 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.833 -1.556 9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.782 -0.807 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.924 0.617 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.278 -0.757 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.964 -2.221 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.981 -2.000 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.214 -0.341 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.617 -1.892 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.544 -1.088 6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.245 -2.698 7.265 1.00 0.00 H new ATOM 183 N LEU A 12 -5.185 0.379 8.659 1.00 0.00 N ATOM 184 CA LEU A 12 -3.786 0.095 8.300 1.00 0.00 C ATOM 185 C LEU A 12 -2.833 0.577 9.392 1.00 0.00 C ATOM 186 O LEU A 12 -1.824 -0.048 9.659 1.00 0.00 O ATOM 187 CB LEU A 12 -3.411 0.764 6.973 1.00 0.00 C ATOM 188 CG LEU A 12 -4.216 0.357 5.743 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.760 1.150 4.542 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.071 -1.127 5.470 1.00 0.00 C ATOM 0 H LEU A 12 -5.657 1.008 8.010 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.692 -0.986 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.505 1.843 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.360 0.557 6.774 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.268 0.569 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.340 0.853 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.907 2.213 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.703 0.957 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.654 -1.393 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.021 -1.364 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.433 -1.692 6.329 1.00 0.00 H new ATOM 202 N ARG A 13 -3.179 1.692 10.015 1.00 0.00 N ATOM 203 CA ARG A 13 -2.402 2.270 11.122 1.00 0.00 C ATOM 204 C ARG A 13 -2.343 1.302 12.301 1.00 0.00 C ATOM 205 O ARG A 13 -1.326 1.190 12.985 1.00 0.00 O ATOM 206 CB ARG A 13 -3.032 3.600 11.556 1.00 0.00 C ATOM 207 CG ARG A 13 -2.918 4.699 10.516 1.00 0.00 C ATOM 208 CD ARG A 13 -1.523 5.288 10.488 1.00 0.00 C ATOM 209 NE ARG A 13 -1.274 6.121 11.673 1.00 0.00 N ATOM 210 CZ ARG A 13 -0.185 6.093 12.442 1.00 0.00 C ATOM 211 NH1 ARG A 13 0.750 5.175 12.251 1.00 0.00 N ATOM 212 NH2 ARG A 13 -0.043 6.972 13.420 1.00 0.00 N ATOM 0 H ARG A 13 -4.010 2.232 9.772 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.383 2.451 10.780 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.085 3.435 11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.555 3.934 12.478 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.166 4.299 9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.642 5.484 10.733 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.787 4.485 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.396 5.887 9.586 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.004 6.784 11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.640 4.482 11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.580 5.161 12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.767 7.671 13.586 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.790 6.950 14.008 1.00 0.00 H new ATOM 226 N GLN A 14 -3.434 0.605 12.517 1.00 0.00 N ATOM 227 CA GLN A 14 -3.538 -0.373 13.587 1.00 0.00 C ATOM 228 C GLN A 14 -2.866 -1.679 13.168 1.00 0.00 C ATOM 229 O GLN A 14 -2.230 -2.363 13.979 1.00 0.00 O ATOM 230 CB GLN A 14 -5.001 -0.613 13.908 1.00 0.00 C ATOM 231 CG GLN A 14 -5.740 0.647 14.322 1.00 0.00 C ATOM 232 CD GLN A 14 -7.225 0.437 14.527 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.809 -0.481 13.795 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -7.849 1.115 15.342 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.281 0.697 11.956 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.034 0.006 14.476 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.491 -1.043 13.035 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.074 -1.348 14.709 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.304 1.027 15.246 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.591 1.413 13.561 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.364 1.821 15.896 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.851 0.971 15.464 1.00 0.00 H new ATOM 314 N VAL A 19 3.199 -7.784 7.001 1.00 0.00 N ATOM 315 CA VAL A 19 3.470 -8.106 5.615 1.00 0.00 C ATOM 316 C VAL A 19 4.961 -8.019 5.376 1.00 0.00 C ATOM 317 O VAL A 19 5.693 -7.522 6.230 1.00 0.00 O ATOM 318 CB VAL A 19 2.766 -7.082 4.672 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.261 -7.179 4.774 1.00 0.00 C ATOM 320 CG2 VAL A 19 3.206 -5.662 5.004 1.00 0.00 C ATOM 0 HA VAL A 19 3.098 -9.109 5.407 1.00 0.00 H new ATOM 0 HB VAL A 19 3.059 -7.325 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.803 -6.451 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.941 -8.183 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.952 -6.973 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.705 -4.961 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.943 -5.432 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.285 -5.576 4.877 1.00 0.00 H new ATOM 330 N ASN A 20 5.419 -8.501 4.252 1.00 0.00 N ATOM 331 CA ASN A 20 6.814 -8.328 3.903 1.00 0.00 C ATOM 332 C ASN A 20 7.011 -6.984 3.253 1.00 0.00 C ATOM 333 O ASN A 20 6.540 -6.756 2.130 1.00 0.00 O ATOM 334 CB ASN A 20 7.353 -9.448 3.006 1.00 0.00 C ATOM 335 CG ASN A 20 7.672 -10.721 3.763 1.00 0.00 C ATOM 336 OD1 ASN A 20 8.022 -10.687 4.941 1.00 0.00 O ATOM 337 ND2 ASN A 20 7.563 -11.846 3.104 1.00 0.00 N ATOM 0 H ASN A 20 4.861 -9.010 3.567 1.00 0.00 H new ATOM 0 HA ASN A 20 7.387 -8.379 4.829 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.619 -9.669 2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.254 -9.098 2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.771 -12.731 3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.270 -11.838 2.127 1.00 0.00 H new ATOM 344 N PHE A 21 7.690 -6.098 3.968 1.00 0.00 N ATOM 345 CA PHE A 21 7.958 -4.725 3.541 1.00 0.00 C ATOM 346 C PHE A 21 8.507 -4.642 2.120 1.00 0.00 C ATOM 347 O PHE A 21 8.018 -3.856 1.308 1.00 0.00 O ATOM 348 CB PHE A 21 8.926 -4.030 4.524 1.00 0.00 C ATOM 349 CG PHE A 21 9.475 -2.726 4.004 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.675 -1.610 3.917 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.785 -2.641 3.560 1.00 0.00 C ATOM 352 CE1 PHE A 21 9.166 -0.429 3.408 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.277 -1.466 3.045 1.00 0.00 C ATOM 354 CZ PHE A 21 10.466 -0.357 2.969 1.00 0.00 C ATOM 0 H PHE A 21 8.081 -6.316 4.884 1.00 0.00 H new ATOM 0 HA PHE A 21 6.999 -4.206 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.407 -3.847 5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.755 -4.703 4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.650 -1.661 4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.426 -3.508 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.529 0.441 3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.299 -1.413 2.700 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.850 0.568 2.565 1.00 0.00 H new ATOM 364 N ASN A 22 9.495 -5.457 1.824 1.00 0.00 N ATOM 365 CA ASN A 22 10.149 -5.428 0.519 1.00 0.00 C ATOM 366 C ASN A 22 9.215 -5.819 -0.588 1.00 0.00 C ATOM 367 O ASN A 22 9.313 -5.298 -1.701 1.00 0.00 O ATOM 368 CB ASN A 22 11.429 -6.275 0.481 1.00 0.00 C ATOM 369 CG ASN A 22 12.579 -5.648 1.240 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.362 -4.876 0.675 1.00 0.00 O ATOM 371 ND2 ASN A 22 12.710 -5.964 2.502 1.00 0.00 N ATOM 0 H ASN A 22 9.870 -6.154 2.467 1.00 0.00 H new ATOM 0 HA ASN A 22 10.444 -4.391 0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.219 -7.259 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.726 -6.427 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.475 -5.570 3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.047 -6.604 2.939 1.00 0.00 H new ATOM 378 N LEU A 23 8.281 -6.691 -0.293 1.00 0.00 N ATOM 379 CA LEU A 23 7.347 -7.095 -1.292 1.00 0.00 C ATOM 380 C LEU A 23 6.305 -6.013 -1.498 1.00 0.00 C ATOM 381 O LEU A 23 5.965 -5.715 -2.620 1.00 0.00 O ATOM 382 CB LEU A 23 6.719 -8.456 -0.985 1.00 0.00 C ATOM 383 CG LEU A 23 5.782 -9.023 -2.064 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.477 -9.072 -3.414 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.343 -10.413 -1.688 1.00 0.00 C ATOM 0 H LEU A 23 8.155 -7.125 0.622 1.00 0.00 H new ATOM 0 HA LEU A 23 7.889 -7.226 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.521 -9.174 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.160 -8.374 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 23 4.915 -8.367 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.794 -9.477 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.778 -8.066 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.359 -9.709 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.680 -10.806 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.217 -11.059 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.814 -10.382 -0.735 1.00 0.00 H new ATOM 397 N VAL A 24 5.844 -5.393 -0.405 1.00 0.00 N ATOM 398 CA VAL A 24 4.871 -4.282 -0.483 1.00 0.00 C ATOM 399 C VAL A 24 5.470 -3.140 -1.277 1.00 0.00 C ATOM 400 O VAL A 24 4.805 -2.536 -2.125 1.00 0.00 O ATOM 401 CB VAL A 24 4.472 -3.749 0.914 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.428 -2.639 0.805 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.954 -4.866 1.770 1.00 0.00 C ATOM 0 H VAL A 24 6.125 -5.637 0.545 1.00 0.00 H new ATOM 0 HA VAL A 24 3.976 -4.673 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 24 5.363 -3.330 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.168 -2.285 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.835 -1.813 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.536 -3.026 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.677 -4.476 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.079 -5.311 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.729 -5.624 1.887 1.00 0.00 H new ATOM 413 N MET A 25 6.740 -2.872 -1.008 1.00 0.00 N ATOM 414 CA MET A 25 7.490 -1.858 -1.720 1.00 0.00 C ATOM 415 C MET A 25 7.470 -2.166 -3.197 1.00 0.00 C ATOM 416 O MET A 25 7.203 -1.292 -4.011 1.00 0.00 O ATOM 417 CB MET A 25 8.932 -1.769 -1.169 1.00 0.00 C ATOM 418 CG MET A 25 9.834 -0.708 -1.821 1.00 0.00 C ATOM 419 SD MET A 25 10.477 -1.140 -3.461 1.00 0.00 S ATOM 420 CE MET A 25 11.438 -2.611 -3.092 1.00 0.00 C ATOM 0 H MET A 25 7.277 -3.355 -0.288 1.00 0.00 H new ATOM 0 HA MET A 25 7.027 -0.883 -1.569 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.880 -1.566 -0.099 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.406 -2.743 -1.286 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.272 0.222 -1.903 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.677 -0.514 -1.158 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.160 -2.783 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.966 -2.474 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.772 -3.470 -3.014 1.00 0.00 H new ATOM 430 N GLN A 26 7.684 -3.425 -3.525 1.00 0.00 N ATOM 431 CA GLN A 26 7.666 -3.854 -4.898 1.00 0.00 C ATOM 432 C GLN A 26 6.246 -3.766 -5.483 1.00 0.00 C ATOM 433 O GLN A 26 6.090 -3.405 -6.624 1.00 0.00 O ATOM 434 CB GLN A 26 8.228 -5.271 -5.058 1.00 0.00 C ATOM 435 CG GLN A 26 8.144 -5.801 -6.485 1.00 0.00 C ATOM 436 CD GLN A 26 8.638 -7.221 -6.638 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.551 -8.041 -5.722 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.134 -7.532 -7.798 1.00 0.00 N ATOM 0 H GLN A 26 7.873 -4.167 -2.851 1.00 0.00 H new ATOM 0 HA GLN A 26 8.313 -3.177 -5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.270 -5.279 -4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.685 -5.946 -4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.109 -5.748 -6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.726 -5.151 -7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.191 -6.828 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.466 -8.480 -7.973 1.00 0.00 H new ATOM 447 N ILE A 27 5.229 -4.100 -4.682 1.00 0.00 N ATOM 448 CA ILE A 27 3.816 -4.021 -5.113 1.00 0.00 C ATOM 449 C ILE A 27 3.509 -2.591 -5.569 1.00 0.00 C ATOM 450 O ILE A 27 3.034 -2.357 -6.695 1.00 0.00 O ATOM 451 CB ILE A 27 2.822 -4.394 -3.947 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.062 -5.821 -3.393 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.362 -4.225 -4.369 1.00 0.00 C ATOM 454 CD1 ILE A 27 2.867 -6.953 -4.377 1.00 0.00 C ATOM 0 H ILE A 27 5.352 -4.430 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 27 3.678 -4.734 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 27 3.030 -3.691 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.080 -5.873 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.391 -5.980 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.710 -4.492 -3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.183 -3.188 -4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.151 -4.875 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.061 -7.904 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.842 -6.940 -4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.557 -6.832 -5.212 1.00 0.00 H new ATOM 466 N LEU A 28 3.843 -1.652 -4.703 1.00 0.00 N ATOM 467 CA LEU A 28 3.638 -0.236 -4.938 1.00 0.00 C ATOM 468 C LEU A 28 4.478 0.236 -6.119 1.00 0.00 C ATOM 469 O LEU A 28 4.018 0.992 -6.959 1.00 0.00 O ATOM 470 CB LEU A 28 4.017 0.543 -3.681 1.00 0.00 C ATOM 471 CG LEU A 28 3.213 0.215 -2.419 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.817 0.900 -1.214 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.771 0.640 -2.580 1.00 0.00 C ATOM 0 H LEU A 28 4.272 -1.857 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 28 2.588 -0.061 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.072 0.365 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.908 1.607 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 28 3.246 -0.864 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.233 0.656 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.843 0.559 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.810 1.979 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.217 0.398 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.726 1.715 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.329 0.114 -3.426 1.00 0.00 H new ATOM 485 N ASP A 29 5.693 -0.249 -6.183 1.00 0.00 N ATOM 486 CA ASP A 29 6.637 0.105 -7.240 1.00 0.00 C ATOM 487 C ASP A 29 6.169 -0.402 -8.591 1.00 0.00 C ATOM 488 O ASP A 29 6.160 0.325 -9.582 1.00 0.00 O ATOM 489 CB ASP A 29 7.976 -0.534 -6.945 1.00 0.00 C ATOM 490 CG ASP A 29 9.038 -0.137 -7.926 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.415 1.059 -7.974 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.525 -1.018 -8.670 1.00 0.00 O ATOM 0 H ASP A 29 6.068 -0.908 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 29 6.713 1.192 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.293 -0.255 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.866 -1.618 -6.955 1.00 0.00 H new ATOM 497 N GLU A 30 5.777 -1.649 -8.604 1.00 0.00 N ATOM 498 CA GLU A 30 5.369 -2.352 -9.811 1.00 0.00 C ATOM 499 C GLU A 30 4.136 -1.684 -10.438 1.00 0.00 C ATOM 500 O GLU A 30 4.038 -1.563 -11.670 1.00 0.00 O ATOM 501 CB GLU A 30 5.112 -3.838 -9.492 1.00 0.00 C ATOM 502 CG GLU A 30 5.229 -4.769 -10.686 1.00 0.00 C ATOM 503 CD GLU A 30 4.956 -6.224 -10.336 1.00 0.00 C ATOM 504 OE1 GLU A 30 5.764 -6.852 -9.601 1.00 0.00 O ATOM 505 OE2 GLU A 30 3.955 -6.778 -10.826 1.00 0.00 O ATOM 0 H GLU A 30 5.728 -2.224 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 30 6.173 -2.298 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.818 -4.159 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.113 -3.938 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.529 -4.450 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.230 -4.685 -11.108 1.00 0.00 H new ATOM 512 N ILE A 31 3.191 -1.244 -9.607 1.00 0.00 N ATOM 513 CA ILE A 31 2.042 -0.513 -10.132 1.00 0.00 C ATOM 514 C ILE A 31 2.460 0.891 -10.559 1.00 0.00 C ATOM 515 O ILE A 31 2.030 1.361 -11.583 1.00 0.00 O ATOM 516 CB ILE A 31 0.820 -0.435 -9.154 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.176 0.282 -7.846 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.282 -1.815 -8.863 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.033 0.402 -6.869 1.00 0.00 C ATOM 0 H ILE A 31 3.197 -1.376 -8.596 1.00 0.00 H new ATOM 0 HA ILE A 31 1.698 -1.087 -10.993 1.00 0.00 H new ATOM 0 HB ILE A 31 0.047 0.151 -9.651 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.995 -0.252 -7.364 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.543 1.281 -8.082 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.566 -1.739 -8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.040 -2.283 -9.793 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.063 -2.421 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.373 0.921 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.780 0.964 -7.328 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.321 -0.593 -6.599 1.00 0.00 H new ATOM 531 N GLU A 32 3.340 1.519 -9.775 1.00 0.00 N ATOM 532 CA GLU A 32 3.840 2.869 -10.035 1.00 0.00 C ATOM 533 C GLU A 32 4.491 2.967 -11.416 1.00 0.00 C ATOM 534 O GLU A 32 4.118 3.811 -12.229 1.00 0.00 O ATOM 535 CB GLU A 32 4.840 3.251 -8.941 1.00 0.00 C ATOM 536 CG GLU A 32 5.448 4.631 -9.056 1.00 0.00 C ATOM 537 CD GLU A 32 6.408 4.903 -7.929 1.00 0.00 C ATOM 538 OE1 GLU A 32 5.962 5.278 -6.837 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.636 4.720 -8.111 1.00 0.00 O ATOM 0 H GLU A 32 3.729 1.098 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 32 3.000 3.563 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.340 3.174 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.647 2.518 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.968 4.723 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.657 5.381 -9.051 1.00 0.00 H new ATOM 546 N LEU A 33 5.432 2.080 -11.689 1.00 0.00 N ATOM 547 CA LEU A 33 6.141 2.093 -12.964 1.00 0.00 C ATOM 548 C LEU A 33 5.228 1.749 -14.147 1.00 0.00 C ATOM 549 O LEU A 33 5.467 2.190 -15.272 1.00 0.00 O ATOM 550 CB LEU A 33 7.425 1.219 -12.908 1.00 0.00 C ATOM 551 CG LEU A 33 7.280 -0.282 -12.571 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.808 -1.107 -13.762 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.579 -0.830 -12.020 1.00 0.00 C ATOM 0 H LEU A 33 5.725 1.342 -11.049 1.00 0.00 H new ATOM 0 HA LEU A 33 6.470 3.117 -13.142 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.921 1.295 -13.876 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.095 1.661 -12.171 1.00 0.00 H new ATOM 0 HG LEU A 33 6.508 -0.364 -11.806 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.723 -2.153 -13.469 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.836 -0.743 -14.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.527 -1.015 -14.576 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.458 -1.888 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.369 -0.709 -12.761 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.847 -0.288 -11.113 1.00 0.00 H new ATOM 565 N ASP A 34 4.196 0.957 -13.896 1.00 0.00 N ATOM 566 CA ASP A 34 3.227 0.620 -14.945 1.00 0.00 C ATOM 567 C ASP A 34 2.298 1.801 -15.188 1.00 0.00 C ATOM 568 O ASP A 34 2.126 2.265 -16.313 1.00 0.00 O ATOM 569 CB ASP A 34 2.409 -0.615 -14.562 1.00 0.00 C ATOM 570 CG ASP A 34 1.470 -1.064 -15.667 1.00 0.00 C ATOM 571 OD1 ASP A 34 1.911 -1.847 -16.546 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.296 -0.661 -15.677 1.00 0.00 O ATOM 0 H ASP A 34 4.003 0.536 -12.987 1.00 0.00 H new ATOM 0 HA ASP A 34 3.777 0.395 -15.859 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.087 -1.431 -14.313 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.829 -0.397 -13.665 1.00 0.00 H new ATOM 577 N LEU A 35 1.755 2.321 -14.105 1.00 0.00 N ATOM 578 CA LEU A 35 0.819 3.441 -14.121 1.00 0.00 C ATOM 579 C LEU A 35 1.476 4.704 -14.671 1.00 0.00 C ATOM 580 O LEU A 35 0.790 5.587 -15.196 1.00 0.00 O ATOM 581 CB LEU A 35 0.296 3.699 -12.709 1.00 0.00 C ATOM 582 CG LEU A 35 -0.707 4.831 -12.543 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.980 4.555 -13.329 1.00 0.00 C ATOM 584 CD2 LEU A 35 -1.004 5.052 -11.080 1.00 0.00 C ATOM 0 H LEU A 35 1.953 1.973 -13.167 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.012 3.180 -14.776 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.165 2.781 -12.345 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.150 3.905 -12.063 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.268 5.744 -12.946 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.679 5.380 -13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.740 4.455 -14.387 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.435 3.631 -12.972 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.723 5.864 -10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.420 4.140 -10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.083 5.311 -10.557 1.00 0.00 H new ATOM 664 N ILE A 41 -4.525 2.447 -12.900 1.00 0.00 N ATOM 665 CA ILE A 41 -3.927 1.951 -11.674 1.00 0.00 C ATOM 666 C ILE A 41 -4.601 0.666 -11.203 1.00 0.00 C ATOM 667 O ILE A 41 -3.930 -0.258 -10.763 1.00 0.00 O ATOM 668 CB ILE A 41 -3.928 3.012 -10.530 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.273 2.418 -9.267 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.342 3.528 -10.248 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.170 3.358 -8.103 1.00 0.00 C ATOM 0 HA ILE A 41 -2.886 1.733 -11.914 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.340 3.872 -10.849 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.844 1.542 -8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.272 2.071 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.307 4.265 -9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.747 3.990 -11.148 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.980 2.696 -9.949 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.696 2.848 -7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.571 4.224 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.168 3.686 -7.811 1.00 0.00 H new ATOM 683 N LYS A 42 -5.918 0.588 -11.354 1.00 0.00 N ATOM 684 CA LYS A 42 -6.643 -0.599 -10.944 1.00 0.00 C ATOM 685 C LYS A 42 -6.261 -1.791 -11.807 1.00 0.00 C ATOM 686 O LYS A 42 -6.210 -2.922 -11.329 1.00 0.00 O ATOM 687 CB LYS A 42 -8.161 -0.373 -10.923 1.00 0.00 C ATOM 688 CG LYS A 42 -8.778 0.098 -12.234 1.00 0.00 C ATOM 689 CD LYS A 42 -10.287 0.320 -12.101 1.00 0.00 C ATOM 690 CE LYS A 42 -11.017 -0.976 -11.770 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.469 -0.799 -11.615 1.00 0.00 N ATOM 0 H LYS A 42 -6.497 1.327 -11.754 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.351 -0.822 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.644 -1.305 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.390 0.362 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.300 1.026 -12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.586 -0.640 -13.013 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.480 1.056 -11.321 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.678 0.731 -13.031 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.828 -1.704 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.608 -1.391 -10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.908 -1.715 -11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.656 -0.127 -10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.870 -0.430 -12.501 1.00 0.00 H new ATOM 705 N THR A 43 -5.939 -1.519 -13.052 1.00 0.00 N ATOM 706 CA THR A 43 -5.509 -2.534 -13.956 1.00 0.00 C ATOM 707 C THR A 43 -4.081 -2.969 -13.584 1.00 0.00 C ATOM 708 O THR A 43 -3.766 -4.174 -13.563 1.00 0.00 O ATOM 709 CB THR A 43 -5.528 -2.019 -15.394 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.754 -1.311 -15.629 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.451 -3.182 -16.365 1.00 0.00 C ATOM 0 H THR A 43 -5.972 -0.583 -13.456 1.00 0.00 H new ATOM 0 HA THR A 43 -6.189 -3.383 -13.884 1.00 0.00 H new ATOM 0 HB THR A 43 -4.673 -1.359 -15.543 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.768 -0.978 -16.551 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.465 -2.804 -17.387 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.528 -3.737 -16.196 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.304 -3.842 -16.210 1.00 0.00 H new ATOM 719 N SER A 44 -3.237 -1.979 -13.249 1.00 0.00 N ATOM 720 CA SER A 44 -1.874 -2.213 -12.825 1.00 0.00 C ATOM 721 C SER A 44 -1.865 -3.093 -11.565 1.00 0.00 C ATOM 722 O SER A 44 -1.032 -3.996 -11.431 1.00 0.00 O ATOM 723 CB SER A 44 -1.183 -0.874 -12.556 1.00 0.00 C ATOM 724 OG SER A 44 -1.329 0.003 -13.666 1.00 0.00 O ATOM 0 H SER A 44 -3.497 -0.993 -13.270 1.00 0.00 H new ATOM 0 HA SER A 44 -1.330 -2.734 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.608 -0.413 -11.665 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.125 -1.040 -12.355 1.00 0.00 H new ATOM 0 HG SER A 44 -0.895 -0.390 -14.452 1.00 0.00 H new ATOM 730 N ILE A 45 -2.822 -2.822 -10.663 1.00 0.00 N ATOM 731 CA ILE A 45 -3.042 -3.602 -9.437 1.00 0.00 C ATOM 732 C ILE A 45 -3.177 -5.091 -9.772 1.00 0.00 C ATOM 733 O ILE A 45 -2.521 -5.933 -9.161 1.00 0.00 O ATOM 734 CB ILE A 45 -4.344 -3.112 -8.682 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.171 -1.703 -8.072 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.807 -4.098 -7.615 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.188 -1.625 -6.916 1.00 0.00 C ATOM 0 H ILE A 45 -3.473 -2.044 -10.767 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.181 -3.453 -8.785 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.122 -3.057 -9.444 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.843 -1.021 -8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.143 -1.349 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.703 -3.713 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.031 -5.058 -8.080 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.019 -4.228 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.133 -0.598 -6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.523 -2.277 -6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.202 -1.943 -7.255 1.00 0.00 H new ATOM 749 N ILE A 46 -3.984 -5.387 -10.785 1.00 0.00 N ATOM 750 CA ILE A 46 -4.278 -6.760 -11.185 1.00 0.00 C ATOM 751 C ILE A 46 -3.007 -7.539 -11.539 1.00 0.00 C ATOM 752 O ILE A 46 -2.806 -8.642 -11.036 1.00 0.00 O ATOM 753 CB ILE A 46 -5.270 -6.817 -12.381 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.562 -6.068 -12.031 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.580 -8.273 -12.753 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.588 -6.031 -13.147 1.00 0.00 C ATOM 0 H ILE A 46 -4.454 -4.682 -11.353 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.746 -7.231 -10.320 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.807 -6.334 -13.241 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.013 -6.536 -11.155 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.310 -5.045 -11.752 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.276 -8.294 -13.592 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.657 -8.781 -13.034 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.027 -8.780 -11.898 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.469 -5.482 -12.813 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.160 -5.535 -14.018 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.874 -7.049 -13.413 1.00 0.00 H new ATOM 768 N TYR A 47 -2.135 -6.936 -12.356 1.00 0.00 N ATOM 769 CA TYR A 47 -0.905 -7.613 -12.818 1.00 0.00 C ATOM 770 C TYR A 47 -0.044 -7.995 -11.640 1.00 0.00 C ATOM 771 O TYR A 47 0.512 -9.098 -11.569 1.00 0.00 O ATOM 772 CB TYR A 47 -0.053 -6.705 -13.699 1.00 0.00 C ATOM 773 CG TYR A 47 -0.762 -6.036 -14.832 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.513 -6.756 -15.740 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.677 -4.670 -14.981 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.159 -6.128 -16.771 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.316 -4.022 -16.003 1.00 0.00 C ATOM 778 CZ TYR A 47 -2.063 -4.761 -16.908 1.00 0.00 C ATOM 779 OH TYR A 47 -2.722 -4.137 -17.952 1.00 0.00 O ATOM 0 H TYR A 47 -2.252 -5.987 -12.712 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.230 -8.487 -13.382 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.391 -5.934 -13.069 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.767 -7.295 -14.108 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.592 -7.828 -15.636 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.093 -4.097 -14.276 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.742 -6.703 -17.475 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.240 -2.949 -16.103 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.558 -3.172 -17.912 1.00 0.00 H new ATOM 789 N VAL A 48 0.047 -7.082 -10.723 1.00 0.00 N ATOM 790 CA VAL A 48 0.878 -7.229 -9.576 1.00 0.00 C ATOM 791 C VAL A 48 0.288 -8.254 -8.624 1.00 0.00 C ATOM 792 O VAL A 48 0.965 -9.195 -8.211 1.00 0.00 O ATOM 793 CB VAL A 48 1.061 -5.871 -8.871 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.004 -5.978 -7.697 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.567 -4.848 -9.859 1.00 0.00 C ATOM 0 H VAL A 48 -0.464 -6.200 -10.754 1.00 0.00 H new ATOM 0 HA VAL A 48 1.858 -7.584 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 48 0.092 -5.555 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.109 -5.001 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.606 -6.690 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.979 -6.320 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.695 -3.889 -9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.524 -5.176 -10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.848 -4.739 -10.671 1.00 0.00 H new ATOM 805 N TYR A 49 -0.979 -8.107 -8.331 1.00 0.00 N ATOM 806 CA TYR A 49 -1.657 -8.999 -7.415 1.00 0.00 C ATOM 807 C TYR A 49 -1.686 -10.426 -7.936 1.00 0.00 C ATOM 808 O TYR A 49 -1.435 -11.349 -7.189 1.00 0.00 O ATOM 809 CB TYR A 49 -3.067 -8.502 -7.064 1.00 0.00 C ATOM 810 CG TYR A 49 -3.118 -7.302 -6.113 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.045 -6.418 -5.981 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.244 -7.074 -5.334 1.00 0.00 C ATOM 813 CE1 TYR A 49 -2.103 -5.350 -5.111 1.00 0.00 C ATOM 814 CE2 TYR A 49 -4.306 -6.005 -4.460 1.00 0.00 C ATOM 815 CZ TYR A 49 -3.232 -5.147 -4.355 1.00 0.00 C ATOM 816 OH TYR A 49 -3.286 -4.088 -3.486 1.00 0.00 O ATOM 0 H TYR A 49 -1.570 -7.371 -8.716 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.078 -9.000 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.581 -8.235 -7.987 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.624 -9.325 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.154 -6.574 -6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.087 -7.744 -5.412 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.264 -4.675 -5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.191 -5.843 -3.863 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.955 -4.268 -2.792 1.00 0.00 H new ATOM 826 N SER A 50 -1.914 -10.582 -9.227 1.00 0.00 N ATOM 827 CA SER A 50 -1.969 -11.890 -9.860 1.00 0.00 C ATOM 828 C SER A 50 -0.586 -12.592 -9.845 1.00 0.00 C ATOM 829 O SER A 50 -0.501 -13.822 -9.755 1.00 0.00 O ATOM 830 CB SER A 50 -2.504 -11.746 -11.300 1.00 0.00 C ATOM 831 OG SER A 50 -2.584 -12.992 -11.979 1.00 0.00 O ATOM 0 H SER A 50 -2.067 -9.804 -9.869 1.00 0.00 H new ATOM 0 HA SER A 50 -2.650 -12.521 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.492 -11.287 -11.273 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.855 -11.072 -11.859 1.00 0.00 H new ATOM 0 HG SER A 50 -2.929 -12.849 -12.885 1.00 0.00 H new ATOM 837 N SER A 51 0.475 -11.817 -9.902 1.00 0.00 N ATOM 838 CA SER A 51 1.807 -12.385 -9.930 1.00 0.00 C ATOM 839 C SER A 51 2.309 -12.683 -8.508 1.00 0.00 C ATOM 840 O SER A 51 3.093 -13.608 -8.290 1.00 0.00 O ATOM 841 CB SER A 51 2.763 -11.425 -10.661 1.00 0.00 C ATOM 842 OG SER A 51 4.075 -11.959 -10.792 1.00 0.00 O ATOM 0 H SER A 51 0.443 -10.798 -9.930 1.00 0.00 H new ATOM 0 HA SER A 51 1.775 -13.331 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.364 -11.203 -11.651 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.811 -10.481 -10.118 1.00 0.00 H new ATOM 0 HG SER A 51 4.645 -11.315 -11.263 1.00 0.00 H new ATOM 848 N HIS A 52 1.816 -11.934 -7.543 1.00 0.00 N ATOM 849 CA HIS A 52 2.303 -12.043 -6.167 1.00 0.00 C ATOM 850 C HIS A 52 1.161 -12.512 -5.241 1.00 0.00 C ATOM 851 O HIS A 52 1.114 -12.146 -4.064 1.00 0.00 O ATOM 852 CB HIS A 52 2.850 -10.665 -5.687 1.00 0.00 C ATOM 853 CG HIS A 52 3.938 -10.040 -6.562 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.279 -10.315 -6.438 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.855 -9.119 -7.560 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.962 -9.591 -7.309 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.118 -8.862 -7.999 1.00 0.00 N ATOM 0 H HIS A 52 1.079 -11.242 -7.677 1.00 0.00 H new ATOM 0 HA HIS A 52 3.110 -12.775 -6.131 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.016 -9.966 -5.623 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.245 -10.783 -4.678 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.948 -8.671 -7.937 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.035 -9.599 -7.431 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.367 -8.210 -8.743 1.00 0.00 H new ATOM 866 N LEU A 53 0.299 -13.386 -5.785 1.00 0.00 N ATOM 867 CA LEU A 53 -0.938 -13.888 -5.120 1.00 0.00 C ATOM 868 C LEU A 53 -0.762 -14.347 -3.684 1.00 0.00 C ATOM 869 O LEU A 53 -1.632 -14.090 -2.848 1.00 0.00 O ATOM 870 CB LEU A 53 -1.557 -15.047 -5.902 1.00 0.00 C ATOM 871 CG LEU A 53 -2.214 -14.723 -7.231 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.640 -16.008 -7.918 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.426 -13.824 -7.033 1.00 0.00 C ATOM 0 H LEU A 53 0.435 -13.778 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.590 -13.015 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.776 -15.785 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.303 -15.522 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.490 -14.196 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.111 -15.772 -8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.766 -16.635 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.349 -16.541 -7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.879 -13.606 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.153 -14.329 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.115 -12.893 -6.560 1.00 0.00 H new ATOM 885 N ASP A 54 0.337 -15.021 -3.401 1.00 0.00 N ATOM 886 CA ASP A 54 0.553 -15.616 -2.071 1.00 0.00 C ATOM 887 C ASP A 54 0.473 -14.592 -0.951 1.00 0.00 C ATOM 888 O ASP A 54 -0.307 -14.762 -0.024 1.00 0.00 O ATOM 889 CB ASP A 54 1.876 -16.377 -1.990 1.00 0.00 C ATOM 890 CG ASP A 54 2.084 -17.017 -0.633 1.00 0.00 C ATOM 891 OD1 ASP A 54 1.557 -18.115 -0.404 1.00 0.00 O ATOM 892 OD2 ASP A 54 2.789 -16.444 0.222 1.00 0.00 O ATOM 0 H ASP A 54 1.098 -15.176 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.263 -16.326 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.898 -17.147 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.700 -15.694 -2.198 1.00 0.00 H new ATOM 897 N GLU A 55 1.210 -13.502 -1.079 1.00 0.00 N ATOM 898 CA GLU A 55 1.206 -12.464 -0.054 1.00 0.00 C ATOM 899 C GLU A 55 -0.112 -11.694 -0.108 1.00 0.00 C ATOM 900 O GLU A 55 -0.649 -11.267 0.925 1.00 0.00 O ATOM 901 CB GLU A 55 2.396 -11.519 -0.249 1.00 0.00 C ATOM 902 CG GLU A 55 2.585 -10.456 0.847 1.00 0.00 C ATOM 903 CD GLU A 55 2.902 -11.034 2.217 1.00 0.00 C ATOM 904 OE1 GLU A 55 1.982 -11.360 2.973 1.00 0.00 O ATOM 905 OE2 GLU A 55 4.100 -11.160 2.562 1.00 0.00 O ATOM 0 H GLU A 55 1.817 -13.310 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 55 1.301 -12.928 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.305 -12.117 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.281 -11.012 -1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.390 -9.783 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.678 -9.856 0.918 1.00 0.00 H new ATOM 912 N ILE A 56 -0.655 -11.570 -1.315 1.00 0.00 N ATOM 913 CA ILE A 56 -1.892 -10.838 -1.531 1.00 0.00 C ATOM 914 C ILE A 56 -3.046 -11.499 -0.781 1.00 0.00 C ATOM 915 O ILE A 56 -3.812 -10.827 -0.121 1.00 0.00 O ATOM 916 CB ILE A 56 -2.270 -10.713 -3.040 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.147 -10.061 -3.865 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.571 -9.937 -3.217 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.691 -8.704 -3.378 1.00 0.00 C ATOM 0 H ILE A 56 -0.252 -11.971 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.719 -9.833 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.412 -11.727 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.289 -10.733 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.486 -9.963 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.810 -9.865 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.377 -10.455 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.457 -8.936 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.102 -8.332 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.531 -8.010 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.315 -8.791 -2.359 1.00 0.00 H new ATOM 931 N ARG A 57 -3.148 -12.811 -0.872 1.00 0.00 N ATOM 932 CA ARG A 57 -4.228 -13.520 -0.199 1.00 0.00 C ATOM 933 C ARG A 57 -3.929 -13.643 1.295 1.00 0.00 C ATOM 934 O ARG A 57 -4.843 -13.687 2.122 1.00 0.00 O ATOM 935 CB ARG A 57 -4.451 -14.924 -0.801 1.00 0.00 C ATOM 936 CG ARG A 57 -3.356 -15.927 -0.469 1.00 0.00 C ATOM 937 CD ARG A 57 -3.628 -17.294 -1.055 1.00 0.00 C ATOM 938 NE ARG A 57 -3.549 -17.300 -2.509 1.00 0.00 N ATOM 939 CZ ARG A 57 -2.562 -17.860 -3.205 1.00 0.00 C ATOM 940 NH1 ARG A 57 -1.490 -18.359 -2.574 1.00 0.00 N ATOM 941 NH2 ARG A 57 -2.636 -17.894 -4.526 1.00 0.00 N ATOM 0 H ARG A 57 -2.507 -13.405 -1.398 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.140 -12.941 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.405 -15.313 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.529 -14.834 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.402 -15.557 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.261 -16.011 0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.910 -18.009 -0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.618 -17.628 -0.746 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.300 -16.845 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.428 -18.310 -1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.736 -18.787 -3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.444 -17.493 -5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.885 -18.321 -5.068 1.00 0.00 H new ATOM 955 N LYS A 58 -2.644 -13.662 1.627 1.00 0.00 N ATOM 956 CA LYS A 58 -2.185 -13.858 2.982 1.00 0.00 C ATOM 957 C LYS A 58 -2.542 -12.628 3.813 1.00 0.00 C ATOM 958 O LYS A 58 -2.858 -12.723 5.007 1.00 0.00 O ATOM 959 CB LYS A 58 -0.673 -14.168 2.936 1.00 0.00 C ATOM 960 CG LYS A 58 -0.010 -14.675 4.207 1.00 0.00 C ATOM 961 CD LYS A 58 0.272 -13.574 5.188 1.00 0.00 C ATOM 962 CE LYS A 58 1.711 -13.609 5.619 1.00 0.00 C ATOM 963 NZ LYS A 58 2.632 -13.469 4.468 1.00 0.00 N ATOM 0 H LYS A 58 -1.890 -13.540 0.951 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.673 -14.704 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.508 -14.909 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.155 -13.260 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.653 -15.419 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.923 -15.177 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.045 -12.609 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.377 -13.679 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.896 -12.807 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.913 -14.548 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.508 -13.002 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.857 -14.410 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.178 -12.896 3.728 1.00 0.00 H new ATOM 977 N ASN A 59 -2.531 -11.488 3.171 1.00 0.00 N ATOM 978 CA ASN A 59 -2.967 -10.258 3.786 1.00 0.00 C ATOM 979 C ASN A 59 -3.977 -9.587 2.897 1.00 0.00 C ATOM 980 O ASN A 59 -3.836 -8.411 2.541 1.00 0.00 O ATOM 981 CB ASN A 59 -1.811 -9.299 4.088 1.00 0.00 C ATOM 982 CG ASN A 59 -0.894 -9.788 5.175 1.00 0.00 C ATOM 983 OD1 ASN A 59 0.189 -10.399 4.813 1.00 0.00 O flip ATOM 984 ND2 ASN A 59 -1.143 -9.570 6.350 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.219 -11.385 2.205 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.417 -10.515 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.232 -9.143 3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.219 -8.330 4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.003 -9.087 6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.491 -9.871 7.074 1.00 0.00 H new ATOM 991 N LYS A 60 -5.033 -10.321 2.562 1.00 0.00 N ATOM 992 CA LYS A 60 -6.065 -9.817 1.650 1.00 0.00 C ATOM 993 C LYS A 60 -6.783 -8.618 2.232 1.00 0.00 C ATOM 994 O LYS A 60 -7.350 -7.816 1.506 1.00 0.00 O ATOM 995 CB LYS A 60 -7.077 -10.899 1.252 1.00 0.00 C ATOM 996 CG LYS A 60 -7.940 -11.421 2.386 1.00 0.00 C ATOM 997 CD LYS A 60 -8.983 -12.382 1.864 1.00 0.00 C ATOM 998 CE LYS A 60 -9.913 -12.860 2.963 1.00 0.00 C ATOM 999 NZ LYS A 60 -9.201 -13.591 4.037 1.00 0.00 N ATOM 0 H LYS A 60 -5.201 -11.267 2.906 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.544 -9.506 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.728 -10.498 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.536 -11.737 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.314 -11.922 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.427 -10.588 2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.566 -11.895 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.490 -13.240 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.430 -12.003 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.675 -13.509 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.894 -14.011 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.620 -14.344 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.589 -12.932 4.559 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.764 -8.519 3.542 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.326 -7.397 4.242 1.00 0.00 C ATOM 1015 C GLU A 61 -6.536 -6.147 3.854 1.00 0.00 C ATOM 1016 O GLU A 61 -7.069 -5.195 3.276 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.173 -7.619 5.740 1.00 0.00 C ATOM 1018 CG GLU A 61 -7.713 -8.948 6.257 1.00 0.00 C ATOM 1019 CD GLU A 61 -9.172 -9.145 5.970 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -10.005 -8.448 6.565 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -9.511 -10.017 5.142 1.00 0.00 O ATOM 0 H GLU A 61 -6.353 -9.225 4.153 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.380 -7.283 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.116 -7.551 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.681 -6.810 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.147 -9.763 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.550 -9.005 7.333 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.235 -6.223 4.105 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.293 -5.152 3.840 1.00 0.00 C ATOM 1030 C PHE A 62 -4.290 -4.794 2.369 1.00 0.00 C ATOM 1031 O PHE A 62 -4.462 -3.634 2.002 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.886 -5.598 4.278 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.779 -4.613 3.996 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.573 -3.532 4.821 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.940 -4.788 2.903 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.556 -2.637 4.571 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.080 -3.897 2.645 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.271 -2.819 3.480 1.00 0.00 C ATOM 0 H PHE A 62 -4.799 -7.052 4.508 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.591 -4.268 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.905 -5.801 5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.649 -6.538 3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.217 -3.383 5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.089 -5.633 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.405 -1.793 5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.726 -4.044 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.067 -2.116 3.282 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.138 -5.801 1.535 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.041 -5.601 0.115 1.00 0.00 C ATOM 1050 C TYR A 63 -5.309 -5.105 -0.529 1.00 0.00 C ATOM 1051 O TYR A 63 -5.242 -4.436 -1.551 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.440 -6.804 -0.602 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.964 -6.940 -0.314 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.049 -6.118 -0.955 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.486 -7.860 0.600 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.299 -6.211 -0.693 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.138 -7.963 0.868 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.751 -7.134 0.219 1.00 0.00 C ATOM 1059 OH TYR A 63 2.093 -7.230 0.480 1.00 0.00 O ATOM 0 H TYR A 63 -4.079 -6.777 1.827 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.335 -4.780 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.958 -7.711 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.594 -6.703 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.401 -5.392 -1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.180 -8.509 1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.997 -5.562 -1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.220 -8.689 1.583 1.00 0.00 H new ATOM 0 HH TYR A 63 2.230 -7.747 1.301 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.462 -5.388 0.058 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.703 -4.856 -0.503 1.00 0.00 C ATOM 1071 C ASP A 64 -7.841 -3.400 -0.136 1.00 0.00 C ATOM 1072 O ASP A 64 -8.129 -2.552 -0.999 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.931 -5.627 -0.037 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.222 -5.039 -0.580 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.543 -5.275 -1.765 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.937 -4.340 0.165 1.00 0.00 O ATOM 0 H ASP A 64 -6.569 -5.962 0.894 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.646 -4.967 -1.586 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.846 -6.666 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.965 -5.628 1.052 1.00 0.00 H new ATOM 1081 N MET A 65 -7.590 -3.106 1.140 1.00 0.00 N ATOM 1082 CA MET A 65 -7.653 -1.749 1.650 1.00 0.00 C ATOM 1083 C MET A 65 -6.695 -0.838 0.927 1.00 0.00 C ATOM 1084 O MET A 65 -7.105 0.206 0.422 1.00 0.00 O ATOM 1085 CB MET A 65 -7.415 -1.685 3.162 1.00 0.00 C ATOM 1086 CG MET A 65 -8.547 -2.269 3.979 1.00 0.00 C ATOM 1087 SD MET A 65 -8.307 -2.101 5.765 1.00 0.00 S ATOM 1088 CE MET A 65 -6.932 -3.205 6.054 1.00 0.00 C ATOM 0 H MET A 65 -7.339 -3.803 1.841 1.00 0.00 H new ATOM 0 HA MET A 65 -8.667 -1.398 1.461 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.494 -2.218 3.399 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.266 -0.646 3.454 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.479 -1.778 3.698 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.656 -3.325 3.732 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.586 -3.094 7.082 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.250 -4.234 5.887 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.119 -2.961 5.370 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.429 -1.244 0.817 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.458 -0.393 0.155 1.00 0.00 C ATOM 1100 C ILE A 66 -4.796 -0.174 -1.304 1.00 0.00 C ATOM 1101 O ILE A 66 -4.731 0.933 -1.754 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.972 -0.825 0.292 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.717 -2.199 -0.312 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.545 -0.795 1.748 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.254 -2.509 -0.487 1.00 0.00 C ATOM 0 H ILE A 66 -5.066 -2.130 1.168 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.541 0.546 0.702 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.371 -0.109 -0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.169 -2.959 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.213 -2.260 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.502 -1.100 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.658 0.216 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.168 -1.479 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.142 -3.502 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.802 -1.770 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.757 -2.479 0.483 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.231 -1.228 -2.013 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.564 -1.121 -3.444 1.00 0.00 C ATOM 1119 C ALA A 67 -6.619 -0.057 -3.676 1.00 0.00 C ATOM 1120 O ALA A 67 -6.541 0.715 -4.627 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.057 -2.451 -3.984 1.00 0.00 C ATOM 0 H ALA A 67 -5.360 -2.161 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.654 -0.838 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.297 -2.348 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.279 -3.205 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.949 -2.757 -3.438 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.571 -0.011 -2.779 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.653 0.936 -2.824 1.00 0.00 C ATOM 1129 C GLU A 68 -8.109 2.357 -2.554 1.00 0.00 C ATOM 1130 O GLU A 68 -8.321 3.295 -3.350 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.667 0.532 -1.757 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.918 1.364 -1.711 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.764 1.217 -2.950 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.560 0.260 -3.045 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.690 2.074 -3.844 1.00 0.00 O ATOM 0 H GLU A 68 -7.615 -0.645 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.129 0.940 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.948 -0.508 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.182 0.580 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.507 1.079 -0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.647 2.412 -1.584 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.381 2.487 -1.455 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.788 3.757 -1.025 1.00 0.00 C ATOM 1144 C ILE A 69 -5.809 4.309 -2.075 1.00 0.00 C ATOM 1145 O ILE A 69 -5.823 5.512 -2.374 1.00 0.00 O ATOM 1146 CB ILE A 69 -6.060 3.589 0.334 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -7.053 3.167 1.415 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.346 4.874 0.746 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.399 2.852 2.737 1.00 0.00 C ATOM 0 H ILE A 69 -7.180 1.709 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.603 4.472 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.306 2.810 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.782 3.964 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.602 2.290 1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.846 4.722 1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.608 5.139 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.074 5.680 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.161 2.559 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.690 2.035 2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.873 3.734 3.102 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.984 3.424 -2.635 1.00 0.00 N ATOM 1162 CA LEU A 70 -4.008 3.777 -3.666 1.00 0.00 C ATOM 1163 C LEU A 70 -4.661 4.512 -4.808 1.00 0.00 C ATOM 1164 O LEU A 70 -4.183 5.547 -5.218 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.284 2.531 -4.203 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.365 1.791 -3.224 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.873 0.491 -3.826 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.189 2.661 -2.835 1.00 0.00 C ATOM 0 H LEU A 70 -4.974 2.435 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.275 4.433 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.037 1.828 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.690 2.829 -5.067 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.943 1.562 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.223 -0.017 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.725 -0.148 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.317 0.701 -4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.549 2.118 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.618 2.921 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.552 3.571 -2.358 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.780 3.999 -5.280 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.473 4.610 -6.407 1.00 0.00 C ATOM 1182 C GLN A 71 -7.062 5.962 -6.006 1.00 0.00 C ATOM 1183 O GLN A 71 -6.916 6.951 -6.717 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.564 3.676 -6.930 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.052 2.275 -7.216 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.102 1.338 -7.758 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.015 1.742 -8.479 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.012 0.091 -7.374 1.00 0.00 N ATOM 0 H GLN A 71 -6.231 3.164 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.753 4.778 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.370 3.621 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.989 4.096 -7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.232 2.338 -7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.643 1.854 -6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.240 -0.204 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.714 -0.586 -7.672 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.659 6.001 -4.833 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.300 7.164 -4.307 1.00 0.00 C ATOM 1199 C ARG A 72 -7.303 8.319 -4.111 1.00 0.00 C ATOM 1200 O ARG A 72 -7.543 9.447 -4.536 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.928 6.745 -2.994 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.670 7.797 -2.248 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.320 7.171 -1.043 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.354 6.189 -1.411 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.715 5.114 -0.685 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -11.149 4.848 0.486 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.676 4.321 -1.126 1.00 0.00 N ATOM 0 H ARG A 72 -7.707 5.195 -4.210 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.054 7.540 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.612 5.920 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.140 6.359 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.990 8.592 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.424 8.253 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.558 6.682 -0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.767 7.952 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.840 6.336 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.424 5.464 0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.439 4.028 1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.139 4.525 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.954 3.505 -0.581 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.178 8.029 -3.506 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.201 9.054 -3.231 1.00 0.00 C ATOM 1223 C TYR A 73 -4.253 9.318 -4.381 1.00 0.00 C ATOM 1224 O TYR A 73 -3.585 10.353 -4.406 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.477 8.824 -1.915 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.325 9.170 -0.727 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.263 8.283 -0.231 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.200 10.405 -0.117 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.055 8.618 0.839 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -5.981 10.746 0.955 1.00 0.00 C ATOM 1231 CZ TYR A 73 -6.910 9.854 1.428 1.00 0.00 C ATOM 1232 OH TYR A 73 -7.701 10.202 2.489 1.00 0.00 O ATOM 0 H TYR A 73 -5.916 7.094 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.772 9.976 -3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.173 7.779 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.567 9.423 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.374 7.313 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.475 11.112 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.786 7.918 1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.866 11.711 1.425 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.469 11.106 2.787 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.197 8.420 -5.347 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.392 8.658 -6.536 1.00 0.00 C ATOM 1244 C TYR A 74 -4.006 9.808 -7.320 1.00 0.00 C ATOM 1245 O TYR A 74 -3.304 10.616 -7.920 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.247 7.363 -7.395 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.712 7.454 -8.839 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.853 7.856 -9.850 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -5.017 7.143 -9.182 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -3.287 7.943 -11.156 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -5.457 7.231 -10.480 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.591 7.634 -11.463 1.00 0.00 C ATOM 1253 OH TYR A 74 -5.031 7.720 -12.766 1.00 0.00 O ATOM 0 H TYR A 74 -4.692 7.528 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.379 8.936 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.198 7.067 -7.392 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.805 6.565 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.829 8.105 -9.611 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.704 6.824 -8.412 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.605 8.253 -11.934 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.480 6.984 -10.725 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.977 7.466 -12.809 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.317 9.887 -7.256 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.068 10.928 -7.908 1.00 0.00 C ATOM 1265 C LYS A 75 -5.899 12.252 -7.168 1.00 0.00 C ATOM 1266 O LYS A 75 -5.850 13.323 -7.782 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.546 10.542 -7.935 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.846 9.265 -8.691 1.00 0.00 C ATOM 1269 CD LYS A 75 -9.320 8.909 -8.621 1.00 0.00 C ATOM 1270 CE LYS A 75 -10.200 9.929 -9.336 1.00 0.00 C ATOM 1271 NZ LYS A 75 -9.865 10.065 -10.770 1.00 0.00 N ATOM 0 H LYS A 75 -5.895 9.221 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.697 11.048 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.899 10.434 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.114 11.357 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.548 9.379 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.254 8.449 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.475 7.926 -9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.625 8.839 -7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.245 9.634 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.095 10.898 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.619 10.593 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.965 10.576 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.775 9.121 -11.197 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.787 12.178 -5.854 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.715 13.375 -5.046 1.00 0.00 C ATOM 1287 C LYS A 76 -4.295 13.934 -4.923 1.00 0.00 C ATOM 1288 O LYS A 76 -4.065 15.118 -5.200 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.312 13.131 -3.645 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.344 14.389 -2.772 1.00 0.00 C ATOM 1291 CD LYS A 76 -6.955 14.152 -1.390 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.391 13.666 -1.481 1.00 0.00 C ATOM 1293 NZ LYS A 76 -9.081 13.723 -0.182 1.00 0.00 N ATOM 0 H LYS A 76 -5.744 11.305 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.309 14.126 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.326 12.746 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.730 12.361 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.328 14.766 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.913 15.164 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.357 13.418 -0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.921 15.077 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.933 14.274 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.403 12.641 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.057 13.382 -0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.580 13.123 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.094 14.705 0.162 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.346 13.096 -4.545 1.00 0.00 N ATOM 1308 CA ILE A 77 -1.992 13.576 -4.271 1.00 0.00 C ATOM 1309 C ILE A 77 -0.958 12.950 -5.201 1.00 0.00 C ATOM 1310 O ILE A 77 0.069 13.556 -5.501 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.586 13.344 -2.777 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.519 11.842 -2.439 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.558 14.062 -1.851 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.269 11.533 -0.975 1.00 0.00 C ATOM 0 H ILE A 77 -3.479 12.092 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.006 14.649 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.589 13.758 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.456 11.373 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.728 11.385 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.265 13.893 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.541 15.131 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.565 13.677 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.238 10.453 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.317 11.968 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.072 11.956 -0.372 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.226 11.749 -5.649 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.323 11.078 -6.545 1.00 0.00 C ATOM 1328 C GLY A 78 0.071 9.737 -6.001 1.00 0.00 C ATOM 1329 O GLY A 78 0.249 9.594 -4.790 1.00 0.00 O ATOM 0 H GLY A 78 -2.062 11.218 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.795 10.955 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.567 11.689 -6.697 1.00 0.00 H new ATOM 1333 N ILE A 79 0.233 8.759 -6.882 1.00 0.00 N ATOM 1334 CA ILE A 79 0.550 7.385 -6.482 1.00 0.00 C ATOM 1335 C ILE A 79 1.885 7.318 -5.741 1.00 0.00 C ATOM 1336 O ILE A 79 2.014 6.604 -4.754 1.00 0.00 O ATOM 1337 CB ILE A 79 0.546 6.395 -7.706 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.872 4.949 -7.270 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.502 6.854 -8.806 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.104 4.360 -6.270 1.00 0.00 C ATOM 0 H ILE A 79 0.150 8.889 -7.890 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.239 7.066 -5.801 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.464 6.403 -8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.895 4.312 -8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.872 4.930 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.471 6.145 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.202 7.840 -9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.516 6.905 -8.409 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.201 3.344 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.111 4.970 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.104 4.343 -6.704 1.00 0.00 H new ATOM 1352 N GLU A 80 2.830 8.120 -6.177 1.00 0.00 N ATOM 1353 CA GLU A 80 4.158 8.137 -5.605 1.00 0.00 C ATOM 1354 C GLU A 80 4.140 8.608 -4.169 1.00 0.00 C ATOM 1355 O GLU A 80 4.909 8.124 -3.327 1.00 0.00 O ATOM 1356 CB GLU A 80 5.047 9.020 -6.424 1.00 0.00 C ATOM 1357 CG GLU A 80 5.222 8.523 -7.835 1.00 0.00 C ATOM 1358 CD GLU A 80 6.189 9.331 -8.615 1.00 0.00 C ATOM 1359 OE1 GLU A 80 7.381 9.029 -8.570 1.00 0.00 O ATOM 1360 OE2 GLU A 80 5.786 10.276 -9.329 1.00 0.00 O ATOM 0 H GLU A 80 2.699 8.782 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 80 4.543 7.117 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.630 10.027 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.023 9.090 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.558 7.487 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.257 8.533 -8.341 1.00 0.00 H new ATOM 1367 N ASN A 81 3.259 9.538 -3.898 1.00 0.00 N ATOM 1368 CA ASN A 81 3.102 10.076 -2.552 1.00 0.00 C ATOM 1369 C ASN A 81 2.538 8.990 -1.653 1.00 0.00 C ATOM 1370 O ASN A 81 3.046 8.744 -0.554 1.00 0.00 O ATOM 1371 CB ASN A 81 2.145 11.282 -2.526 1.00 0.00 C ATOM 1372 CG ASN A 81 2.440 12.220 -1.353 1.00 0.00 C ATOM 1373 OD1 ASN A 81 1.867 12.105 -0.259 1.00 0.00 O ATOM 1374 ND2 ASN A 81 3.336 13.147 -1.568 1.00 0.00 N ATOM 0 H ASN A 81 2.631 9.946 -4.591 1.00 0.00 H new ATOM 0 HA ASN A 81 4.080 10.409 -2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.231 11.834 -3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.116 10.928 -2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.581 13.801 -0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.790 13.216 -2.479 1.00 0.00 H new ATOM 1381 N VAL A 82 1.517 8.304 -2.168 1.00 0.00 N ATOM 1382 CA VAL A 82 0.810 7.254 -1.434 1.00 0.00 C ATOM 1383 C VAL A 82 1.726 6.057 -1.192 1.00 0.00 C ATOM 1384 O VAL A 82 1.692 5.454 -0.123 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.456 6.776 -2.191 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.299 5.867 -1.312 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.277 7.950 -2.652 1.00 0.00 C ATOM 0 H VAL A 82 1.156 8.461 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 82 0.504 7.684 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.130 6.212 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.182 5.544 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.713 4.995 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.608 6.409 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.160 7.591 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.585 8.540 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.681 8.571 -3.321 1.00 0.00 H new ATOM 1397 N ASN A 83 2.551 5.747 -2.189 1.00 0.00 N ATOM 1398 CA ASN A 83 3.548 4.657 -2.132 1.00 0.00 C ATOM 1399 C ASN A 83 4.377 4.809 -0.852 1.00 0.00 C ATOM 1400 O ASN A 83 4.467 3.899 -0.021 1.00 0.00 O ATOM 1401 CB ASN A 83 4.472 4.781 -3.384 1.00 0.00 C ATOM 1402 CG ASN A 83 5.543 3.689 -3.550 1.00 0.00 C ATOM 1403 OD1 ASN A 83 6.021 3.099 -2.596 1.00 0.00 O ATOM 1404 ND2 ASN A 83 5.968 3.472 -4.778 1.00 0.00 N ATOM 0 H ASN A 83 2.553 6.248 -3.077 1.00 0.00 H new ATOM 0 HA ASN A 83 3.060 3.682 -2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.844 4.782 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.973 5.749 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.714 2.797 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.551 3.979 -5.559 1.00 0.00 H new ATOM 1411 N GLN A 84 4.866 6.008 -0.657 1.00 0.00 N ATOM 1412 CA GLN A 84 5.702 6.342 0.476 1.00 0.00 C ATOM 1413 C GLN A 84 4.852 6.282 1.768 1.00 0.00 C ATOM 1414 O GLN A 84 5.293 5.763 2.797 1.00 0.00 O ATOM 1415 CB GLN A 84 6.272 7.758 0.259 1.00 0.00 C ATOM 1416 CG GLN A 84 7.593 8.093 0.975 1.00 0.00 C ATOM 1417 CD GLN A 84 7.556 7.965 2.485 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.212 8.899 3.184 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.948 6.830 2.987 1.00 0.00 N ATOM 0 H GLN A 84 4.694 6.792 -1.287 1.00 0.00 H new ATOM 0 HA GLN A 84 6.526 5.636 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.419 7.904 -0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.520 8.479 0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.374 7.437 0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.878 9.113 0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.229 6.069 2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.974 6.702 3.999 1.00 0.00 H new ATOM 1428 N LEU A 85 3.625 6.776 1.694 1.00 0.00 N ATOM 1429 CA LEU A 85 2.725 6.802 2.848 1.00 0.00 C ATOM 1430 C LEU A 85 2.432 5.396 3.361 1.00 0.00 C ATOM 1431 O LEU A 85 2.447 5.155 4.574 1.00 0.00 O ATOM 1432 CB LEU A 85 1.425 7.543 2.524 1.00 0.00 C ATOM 1433 CG LEU A 85 1.583 8.998 2.078 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.238 9.635 1.809 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.365 9.800 3.103 1.00 0.00 C ATOM 0 H LEU A 85 3.223 7.168 0.842 1.00 0.00 H new ATOM 0 HA LEU A 85 3.235 7.347 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.903 6.996 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.786 7.520 3.407 1.00 0.00 H new ATOM 0 HG LEU A 85 2.148 9.000 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.381 10.669 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.275 9.083 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.363 9.613 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.463 10.830 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.838 9.783 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.356 9.364 3.227 1.00 0.00 H new ATOM 1447 N ILE A 86 2.209 4.467 2.449 1.00 0.00 N ATOM 1448 CA ILE A 86 1.961 3.077 2.812 1.00 0.00 C ATOM 1449 C ILE A 86 3.208 2.490 3.479 1.00 0.00 C ATOM 1450 O ILE A 86 3.118 1.863 4.539 1.00 0.00 O ATOM 1451 CB ILE A 86 1.541 2.210 1.581 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.258 2.765 0.926 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.354 0.738 1.967 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -0.950 2.844 1.850 1.00 0.00 C ATOM 0 H ILE A 86 2.194 4.648 1.445 1.00 0.00 H new ATOM 0 HA ILE A 86 1.126 3.059 3.513 1.00 0.00 H new ATOM 0 HB ILE A 86 2.351 2.264 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.467 3.762 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.003 2.138 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.062 0.165 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.290 0.344 2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.576 0.657 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.802 3.245 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.192 1.847 2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.721 3.496 2.693 1.00 0.00 H new ATOM 1466 N LEU A 87 4.375 2.767 2.891 1.00 0.00 N ATOM 1467 CA LEU A 87 5.652 2.293 3.435 1.00 0.00 C ATOM 1468 C LEU A 87 5.892 2.856 4.835 1.00 0.00 C ATOM 1469 O LEU A 87 6.451 2.184 5.710 1.00 0.00 O ATOM 1470 CB LEU A 87 6.821 2.654 2.507 1.00 0.00 C ATOM 1471 CG LEU A 87 6.768 2.065 1.091 1.00 0.00 C ATOM 1472 CD1 LEU A 87 8.003 2.454 0.303 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.613 0.553 1.134 1.00 0.00 C ATOM 0 H LEU A 87 4.463 3.318 2.037 1.00 0.00 H new ATOM 0 HA LEU A 87 5.596 1.207 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.871 3.740 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.747 2.327 2.980 1.00 0.00 H new ATOM 0 HG LEU A 87 5.894 2.479 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.946 2.026 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.061 3.540 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.891 2.076 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.578 0.162 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.460 0.115 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.690 0.297 1.653 1.00 0.00 H new ATOM 1485 N THR A 88 5.444 4.075 5.042 1.00 0.00 N ATOM 1486 CA THR A 88 5.547 4.720 6.323 1.00 0.00 C ATOM 1487 C THR A 88 4.666 4.001 7.351 1.00 0.00 C ATOM 1488 O THR A 88 5.123 3.665 8.435 1.00 0.00 O ATOM 1489 CB THR A 88 5.109 6.198 6.226 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.901 6.881 5.239 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.248 6.904 7.577 1.00 0.00 C ATOM 0 H THR A 88 4.998 4.644 4.322 1.00 0.00 H new ATOM 0 HA THR A 88 6.589 4.676 6.640 1.00 0.00 H new ATOM 0 HB THR A 88 4.060 6.221 5.932 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.611 6.611 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.933 7.943 7.479 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.622 6.403 8.315 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.288 6.870 7.900 1.00 0.00 H new ATOM 1499 N THR A 89 3.439 3.710 6.954 1.00 0.00 N ATOM 1500 CA THR A 89 2.434 3.114 7.824 1.00 0.00 C ATOM 1501 C THR A 89 2.840 1.694 8.285 1.00 0.00 C ATOM 1502 O THR A 89 2.593 1.314 9.433 1.00 0.00 O ATOM 1503 CB THR A 89 1.063 3.109 7.088 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.817 4.441 6.606 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.098 2.717 8.015 1.00 0.00 C ATOM 0 H THR A 89 3.106 3.883 6.005 1.00 0.00 H new ATOM 0 HA THR A 89 2.350 3.714 8.730 1.00 0.00 H new ATOM 0 HB THR A 89 1.113 2.376 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.320 4.587 5.778 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.032 2.729 7.453 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.075 1.716 8.411 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.161 3.428 8.839 1.00 0.00 H new ATOM 1513 N ILE A 90 3.505 0.947 7.408 1.00 0.00 N ATOM 1514 CA ILE A 90 3.921 -0.418 7.739 1.00 0.00 C ATOM 1515 C ILE A 90 5.223 -0.476 8.540 1.00 0.00 C ATOM 1516 O ILE A 90 5.525 -1.495 9.183 1.00 0.00 O ATOM 1517 CB ILE A 90 4.016 -1.349 6.496 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.971 -0.782 5.437 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.636 -1.596 5.912 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.111 -1.650 4.201 1.00 0.00 C ATOM 0 H ILE A 90 3.766 1.257 6.472 1.00 0.00 H new ATOM 0 HA ILE A 90 3.121 -0.794 8.377 1.00 0.00 H new ATOM 0 HB ILE A 90 4.428 -2.304 6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.619 0.205 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.955 -0.646 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.720 -2.249 5.043 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.003 -2.070 6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.193 -0.647 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.803 -1.179 3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.494 -2.630 4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.137 -1.765 3.725 1.00 0.00 H new