USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 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 4 MET CE :methyl -123:sc= -0.084 (180deg=-0.8) USER MOD Set 1.2: A 74 ASN : amide:sc= 0 K(o=-0.084,f=-0.88) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.989 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.15) USER MOD Single : A 16 HIS : no HD1:sc= -3.29 K(o=-3.3,f=-4.1!) USER MOD Single : A 18 THR OG1 : rot 160:sc= -1.86! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 28 CYS SG : rot -135:sc= -6.98! USER MOD Single : A 35 CYS SG : rot -2:sc= -7.94! USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 0.185 (180deg=0.0556) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -2.4 K(o=-2.4,f=-10!) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.29 K(o=-1.3,f=-8.2!) USER MOD Single : A 62 MET CE :methyl -136:sc= -5.88! (180deg=-9.68!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.00852 X(o=0.0085,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.749 -2.323 -11.660 1.00 0.00 N ATOM 77 CA MET A 4 -2.833 -3.117 -10.853 1.00 0.00 C ATOM 78 C MET A 4 -3.367 -3.241 -9.431 1.00 0.00 C ATOM 79 O MET A 4 -4.529 -2.928 -9.172 1.00 0.00 O ATOM 80 CB MET A 4 -1.439 -2.484 -10.850 1.00 0.00 C ATOM 81 CG MET A 4 -0.793 -2.433 -12.225 1.00 0.00 C ATOM 82 SD MET A 4 0.816 -1.621 -12.206 1.00 0.00 S ATOM 83 CE MET A 4 1.908 -3.037 -12.101 1.00 0.00 C ATOM 0 HA MET A 4 -2.755 -4.114 -11.286 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.509 -1.471 -10.453 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.794 -3.047 -10.175 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.679 -3.448 -12.607 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.454 -1.906 -12.913 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.542 -2.943 -11.220 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.315 -3.949 -12.026 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.532 -3.082 -12.994 1.00 0.00 H new ATOM 93 N PHE A 5 -2.529 -3.704 -8.511 1.00 0.00 N ATOM 94 CA PHE A 5 -2.955 -3.863 -7.129 1.00 0.00 C ATOM 95 C PHE A 5 -1.857 -3.484 -6.152 1.00 0.00 C ATOM 96 O PHE A 5 -0.736 -3.158 -6.540 1.00 0.00 O ATOM 97 CB PHE A 5 -3.416 -5.298 -6.872 1.00 0.00 C ATOM 98 CG PHE A 5 -2.322 -6.315 -7.031 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.741 -6.906 -5.921 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.876 -6.679 -8.291 1.00 0.00 C ATOM 101 CE1 PHE A 5 -0.733 -7.841 -6.065 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.870 -7.613 -8.442 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.297 -8.195 -7.327 1.00 0.00 C ATOM 0 H PHE A 5 -1.562 -3.973 -8.695 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.792 -3.184 -6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.821 -5.366 -5.862 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.228 -5.539 -7.558 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.079 -6.633 -4.932 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.320 -6.227 -9.166 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.287 -8.294 -5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.531 -7.888 -9.430 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.490 -8.925 -7.442 1.00 0.00 H new ATOM 113 N LEU A 6 -2.219 -3.492 -4.879 1.00 0.00 N ATOM 114 CA LEU A 6 -1.311 -3.110 -3.816 1.00 0.00 C ATOM 115 C LEU A 6 -1.380 -4.103 -2.643 1.00 0.00 C ATOM 116 O LEU A 6 -2.464 -4.394 -2.140 1.00 0.00 O ATOM 117 CB LEU A 6 -1.713 -1.702 -3.388 1.00 0.00 C ATOM 118 CG LEU A 6 -1.111 -1.188 -2.097 1.00 0.00 C ATOM 119 CD1 LEU A 6 -0.855 0.309 -2.210 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.040 -1.504 -0.938 1.00 0.00 C ATOM 0 H LEU A 6 -3.148 -3.763 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.276 -3.125 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.443 -1.013 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.798 -1.671 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.157 -1.682 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.422 0.675 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.164 0.499 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.796 0.826 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.604 -1.133 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.004 -1.024 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.179 -2.583 -0.867 1.00 0.00 H new ATOM 132 N THR A 7 -0.221 -4.633 -2.224 1.00 0.00 N ATOM 133 CA THR A 7 -0.174 -5.607 -1.122 1.00 0.00 C ATOM 134 C THR A 7 0.179 -4.952 0.212 1.00 0.00 C ATOM 135 O THR A 7 1.318 -4.532 0.438 1.00 0.00 O ATOM 136 CB THR A 7 0.831 -6.724 -1.416 1.00 0.00 C ATOM 137 OG1 THR A 7 0.583 -7.307 -2.688 1.00 0.00 O ATOM 138 CG2 THR A 7 0.804 -7.827 -0.369 1.00 0.00 C ATOM 0 H THR A 7 0.688 -4.407 -2.627 1.00 0.00 H new ATOM 0 HA THR A 7 -1.176 -6.030 -1.043 1.00 0.00 H new ATOM 0 HB THR A 7 1.814 -6.254 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.237 -8.017 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.536 -8.592 -0.628 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.047 -7.408 0.607 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.190 -8.273 -0.336 1.00 0.00 H new ATOM 146 N VAL A 8 -0.808 -4.895 1.099 1.00 0.00 N ATOM 147 CA VAL A 8 -0.629 -4.310 2.425 1.00 0.00 C ATOM 148 C VAL A 8 -0.178 -5.360 3.432 1.00 0.00 C ATOM 149 O VAL A 8 -0.391 -6.548 3.234 1.00 0.00 O ATOM 150 CB VAL A 8 -1.934 -3.665 2.931 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.656 -2.737 4.102 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.640 -2.919 1.806 1.00 0.00 C ATOM 0 H VAL A 8 -1.748 -5.250 0.923 1.00 0.00 H new ATOM 0 HA VAL A 8 0.140 -3.543 2.332 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.594 -4.460 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.591 -2.292 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.205 -3.304 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.973 -1.948 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.558 -2.472 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.986 -2.135 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.881 -3.615 1.003 1.00 0.00 H new ATOM 162 N TYR A 9 0.455 -4.909 4.509 1.00 0.00 N ATOM 163 CA TYR A 9 0.945 -5.809 5.545 1.00 0.00 C ATOM 164 C TYR A 9 0.128 -5.673 6.817 1.00 0.00 C ATOM 165 O TYR A 9 -0.027 -4.574 7.366 1.00 0.00 O ATOM 166 CB TYR A 9 2.426 -5.554 5.833 1.00 0.00 C ATOM 167 CG TYR A 9 3.354 -6.419 5.010 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.481 -7.001 5.576 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.099 -6.652 3.665 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.329 -7.792 4.822 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.941 -7.442 2.906 1.00 0.00 C ATOM 172 CZ TYR A 9 5.054 -8.008 3.488 1.00 0.00 C ATOM 173 OH TYR A 9 5.895 -8.796 2.736 1.00 0.00 O ATOM 0 H TYR A 9 0.641 -3.922 4.687 1.00 0.00 H new ATOM 0 HA TYR A 9 0.836 -6.829 5.177 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.651 -4.505 5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.619 -5.731 6.891 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.698 -6.833 6.621 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.228 -6.209 3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.202 -8.238 5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.728 -7.615 1.862 1.00 0.00 H new ATOM 0 HH TYR A 9 5.559 -8.848 1.817 1.00 0.00 H new ATOM 183 N LEU A 10 -0.397 -6.810 7.265 1.00 0.00 N ATOM 184 CA LEU A 10 -1.217 -6.874 8.464 1.00 0.00 C ATOM 185 C LEU A 10 -0.366 -7.106 9.705 1.00 0.00 C ATOM 186 O LEU A 10 0.542 -7.937 9.705 1.00 0.00 O ATOM 187 CB LEU A 10 -2.248 -7.999 8.330 1.00 0.00 C ATOM 188 CG LEU A 10 -3.701 -7.538 8.239 1.00 0.00 C ATOM 189 CD1 LEU A 10 -4.639 -8.733 8.181 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.048 -6.643 9.419 1.00 0.00 C ATOM 0 H LEU A 10 -0.264 -7.711 6.805 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.728 -5.917 8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.012 -8.583 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.148 -8.667 9.186 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.823 -6.963 7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.670 -8.384 8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.405 -9.337 7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.516 -9.336 9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.087 -6.323 9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.909 -7.196 10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.397 -5.768 9.416 1.00 0.00 H new ATOM 241 N GLU A 14 6.081 -9.757 8.893 1.00 0.00 N ATOM 242 CA GLU A 14 6.635 -9.567 7.557 1.00 0.00 C ATOM 243 C GLU A 14 6.117 -10.628 6.584 1.00 0.00 C ATOM 244 O GLU A 14 6.605 -10.736 5.459 1.00 0.00 O ATOM 245 CB GLU A 14 8.165 -9.611 7.610 1.00 0.00 C ATOM 246 CG GLU A 14 8.820 -8.262 7.365 1.00 0.00 C ATOM 247 CD GLU A 14 8.296 -7.182 8.291 1.00 0.00 C ATOM 248 OE1 GLU A 14 7.998 -6.072 7.801 1.00 0.00 O ATOM 249 OE2 GLU A 14 8.184 -7.445 9.507 1.00 0.00 O ATOM 0 HA GLU A 14 6.313 -8.590 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.476 -9.985 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.526 -10.321 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.898 -8.357 7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.650 -7.962 6.331 1.00 0.00 H new ATOM 256 N GLN A 15 5.132 -11.410 7.020 1.00 0.00 N ATOM 257 CA GLN A 15 4.563 -12.458 6.179 1.00 0.00 C ATOM 258 C GLN A 15 3.051 -12.341 6.078 1.00 0.00 C ATOM 259 O GLN A 15 2.438 -13.013 5.247 1.00 0.00 O ATOM 260 CB GLN A 15 4.952 -13.838 6.712 1.00 0.00 C ATOM 261 CG GLN A 15 5.457 -14.786 5.637 1.00 0.00 C ATOM 262 CD GLN A 15 4.359 -15.233 4.691 1.00 0.00 C ATOM 263 OE1 GLN A 15 3.598 -16.152 4.995 1.00 0.00 O ATOM 264 NE2 GLN A 15 4.270 -14.581 3.537 1.00 0.00 N ATOM 0 H GLN A 15 4.713 -11.338 7.947 1.00 0.00 H new ATOM 0 HA GLN A 15 4.972 -12.333 5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.724 -13.720 7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.088 -14.286 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.246 -14.295 5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.903 -15.661 6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.922 -13.825 3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.550 -14.836 2.861 1.00 0.00 H new ATOM 273 N HIS A 16 2.436 -11.471 6.880 1.00 0.00 N ATOM 274 CA HIS A 16 0.998 -11.306 6.773 1.00 0.00 C ATOM 275 C HIS A 16 0.728 -10.053 5.967 1.00 0.00 C ATOM 276 O HIS A 16 1.155 -8.957 6.328 1.00 0.00 O ATOM 277 CB HIS A 16 0.375 -11.166 8.164 1.00 0.00 C ATOM 278 CG HIS A 16 -1.116 -11.292 8.182 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.869 -11.560 7.060 1.00 0.00 N ATOM 280 CD2 HIS A 16 -1.995 -11.169 9.203 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.147 -11.595 7.391 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.251 -11.360 8.687 1.00 0.00 N ATOM 0 H HIS A 16 2.895 -10.892 7.584 1.00 0.00 H new ATOM 0 HA HIS A 16 0.560 -12.177 6.286 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.801 -11.926 8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.652 -10.197 8.578 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.752 -10.959 10.234 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.969 -11.784 6.716 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.122 -11.326 9.217 1.00 0.00 H new ATOM 291 N PHE A 17 0.017 -10.230 4.872 1.00 0.00 N ATOM 292 CA PHE A 17 -0.319 -9.126 4.001 1.00 0.00 C ATOM 293 C PHE A 17 -1.698 -9.290 3.409 1.00 0.00 C ATOM 294 O PHE A 17 -2.216 -10.402 3.304 1.00 0.00 O ATOM 295 CB PHE A 17 0.704 -8.987 2.883 1.00 0.00 C ATOM 296 CG PHE A 17 1.027 -10.285 2.229 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.133 -11.021 2.635 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.224 -10.772 1.211 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.438 -12.221 2.034 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.525 -11.976 0.603 1.00 0.00 C ATOM 301 CZ PHE A 17 1.635 -12.701 1.013 1.00 0.00 C ATOM 0 H PHE A 17 -0.340 -11.134 4.564 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.309 -8.221 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.324 -8.293 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.618 -8.551 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.760 -10.648 3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.640 -10.209 0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.300 -12.786 2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.103 -12.352 -0.191 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.873 -13.640 0.536 1.00 0.00 H new ATOM 311 N THR A 18 -2.255 -8.192 2.954 1.00 0.00 N ATOM 312 CA THR A 18 -3.536 -8.226 2.292 1.00 0.00 C ATOM 313 C THR A 18 -3.475 -7.323 1.072 1.00 0.00 C ATOM 314 O THR A 18 -3.323 -6.106 1.193 1.00 0.00 O ATOM 315 CB THR A 18 -4.657 -7.792 3.237 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.921 -7.929 2.615 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.523 -6.357 3.698 1.00 0.00 C ATOM 0 H THR A 18 -1.840 -7.264 3.031 1.00 0.00 H new ATOM 0 HA THR A 18 -3.757 -9.247 1.982 1.00 0.00 H new ATOM 0 HB THR A 18 -4.575 -8.446 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.621 -7.962 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.349 -6.111 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.578 -6.232 4.227 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.545 -5.694 2.833 1.00 0.00 H new ATOM 325 N GLU A 19 -3.566 -7.927 -0.102 1.00 0.00 N ATOM 326 CA GLU A 19 -3.492 -7.176 -1.343 1.00 0.00 C ATOM 327 C GLU A 19 -4.869 -6.956 -1.940 1.00 0.00 C ATOM 328 O GLU A 19 -5.787 -7.748 -1.728 1.00 0.00 O ATOM 329 CB GLU A 19 -2.590 -7.892 -2.348 1.00 0.00 C ATOM 330 CG GLU A 19 -2.716 -9.407 -2.324 1.00 0.00 C ATOM 331 CD GLU A 19 -1.924 -10.076 -3.431 1.00 0.00 C ATOM 332 OE1 GLU A 19 -2.535 -10.804 -4.242 1.00 0.00 O ATOM 333 OE2 GLU A 19 -0.693 -9.873 -3.486 1.00 0.00 O ATOM 0 H GLU A 19 -3.691 -8.932 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.064 -6.200 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.825 -7.534 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.553 -7.621 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.373 -9.781 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.767 -9.682 -2.417 1.00 0.00 H new ATOM 340 N VAL A 20 -5.008 -5.863 -2.677 1.00 0.00 N ATOM 341 CA VAL A 20 -6.287 -5.529 -3.296 1.00 0.00 C ATOM 342 C VAL A 20 -6.104 -4.833 -4.643 1.00 0.00 C ATOM 343 O VAL A 20 -5.243 -3.963 -4.790 1.00 0.00 O ATOM 344 CB VAL A 20 -7.135 -4.613 -2.383 1.00 0.00 C ATOM 345 CG1 VAL A 20 -8.587 -5.067 -2.371 1.00 0.00 C ATOM 346 CG2 VAL A 20 -6.572 -4.575 -0.968 1.00 0.00 C ATOM 0 H VAL A 20 -4.259 -5.196 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.805 -6.476 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.092 -3.602 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.168 -4.411 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.989 -5.027 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.645 -6.089 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.188 -3.923 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.573 -5.581 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.551 -4.193 -0.993 1.00 0.00 H new ATOM 356 N PRO A 21 -6.935 -5.189 -5.641 1.00 0.00 N ATOM 357 CA PRO A 21 -6.880 -4.573 -6.966 1.00 0.00 C ATOM 358 C PRO A 21 -7.521 -3.192 -6.943 1.00 0.00 C ATOM 359 O PRO A 21 -8.736 -3.066 -6.790 1.00 0.00 O ATOM 360 CB PRO A 21 -7.694 -5.534 -7.831 1.00 0.00 C ATOM 361 CG PRO A 21 -8.688 -6.126 -6.892 1.00 0.00 C ATOM 362 CD PRO A 21 -8.011 -6.197 -5.548 1.00 0.00 C ATOM 0 HA PRO A 21 -5.863 -4.426 -7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.185 -5.011 -8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.061 -6.302 -8.276 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.588 -5.513 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.995 -7.117 -7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.704 -5.968 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.611 -7.192 -5.354 1.00 0.00 H new ATOM 370 N VAL A 22 -6.699 -2.158 -7.062 1.00 0.00 N ATOM 371 CA VAL A 22 -7.197 -0.790 -7.017 1.00 0.00 C ATOM 372 C VAL A 22 -6.833 -0.005 -8.268 1.00 0.00 C ATOM 373 O VAL A 22 -5.759 -0.175 -8.844 1.00 0.00 O ATOM 374 CB VAL A 22 -6.656 -0.033 -5.771 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.405 -0.712 -5.232 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.366 1.434 -6.085 1.00 0.00 C ATOM 0 H VAL A 22 -5.690 -2.239 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.283 -0.864 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.433 -0.065 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.042 -0.167 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.642 -1.737 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.634 -0.719 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.990 1.930 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.618 1.496 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.283 1.924 -6.413 1.00 0.00 H new ATOM 386 N THR A 23 -7.729 0.894 -8.638 1.00 0.00 N ATOM 387 CA THR A 23 -7.525 1.773 -9.773 1.00 0.00 C ATOM 388 C THR A 23 -7.154 3.144 -9.229 1.00 0.00 C ATOM 389 O THR A 23 -7.269 3.372 -8.026 1.00 0.00 O ATOM 390 CB THR A 23 -8.793 1.849 -10.624 1.00 0.00 C ATOM 391 OG1 THR A 23 -9.939 1.564 -9.841 1.00 0.00 O ATOM 392 CG2 THR A 23 -8.783 0.885 -11.790 1.00 0.00 C ATOM 0 H THR A 23 -8.618 1.034 -8.159 1.00 0.00 H new ATOM 0 HA THR A 23 -6.728 1.395 -10.414 1.00 0.00 H new ATOM 0 HB THR A 23 -8.824 2.867 -11.012 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.741 1.619 -10.402 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.710 0.987 -12.355 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.936 1.108 -12.439 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.696 -0.136 -11.417 1.00 0.00 H new ATOM 400 N PRO A 24 -6.701 4.084 -10.065 1.00 0.00 N ATOM 401 CA PRO A 24 -6.333 5.407 -9.574 1.00 0.00 C ATOM 402 C PRO A 24 -7.552 6.209 -9.135 1.00 0.00 C ATOM 403 O PRO A 24 -7.879 7.247 -9.713 1.00 0.00 O ATOM 404 CB PRO A 24 -5.631 6.050 -10.762 1.00 0.00 C ATOM 405 CG PRO A 24 -6.189 5.356 -11.959 1.00 0.00 C ATOM 406 CD PRO A 24 -6.516 3.951 -11.521 1.00 0.00 C ATOM 0 HA PRO A 24 -5.701 5.363 -8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.823 7.122 -10.802 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.550 5.922 -10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.080 5.867 -12.324 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.468 5.350 -12.776 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.416 3.577 -12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.711 3.257 -11.762 1.00 0.00 H new ATOM 414 N GLU A 25 -8.214 5.707 -8.097 1.00 0.00 N ATOM 415 CA GLU A 25 -9.399 6.342 -7.539 1.00 0.00 C ATOM 416 C GLU A 25 -9.414 6.169 -6.024 1.00 0.00 C ATOM 417 O GLU A 25 -9.610 7.130 -5.280 1.00 0.00 O ATOM 418 CB GLU A 25 -10.666 5.741 -8.150 1.00 0.00 C ATOM 419 CG GLU A 25 -11.762 6.762 -8.405 1.00 0.00 C ATOM 420 CD GLU A 25 -12.923 6.188 -9.193 1.00 0.00 C ATOM 421 OE1 GLU A 25 -13.216 6.716 -10.287 1.00 0.00 O ATOM 422 OE2 GLU A 25 -13.538 5.211 -8.717 1.00 0.00 O ATOM 0 H GLU A 25 -7.942 4.847 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.372 7.405 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.410 5.253 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.049 4.968 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.128 7.142 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.344 7.610 -8.947 1.00 0.00 H new ATOM 429 N THR A 26 -9.187 4.935 -5.571 1.00 0.00 N ATOM 430 CA THR A 26 -9.156 4.640 -4.145 1.00 0.00 C ATOM 431 C THR A 26 -7.751 4.821 -3.595 1.00 0.00 C ATOM 432 O THR A 26 -6.766 4.569 -4.290 1.00 0.00 O ATOM 433 CB THR A 26 -9.634 3.222 -3.862 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.016 2.295 -4.737 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.131 3.063 -3.999 1.00 0.00 C ATOM 0 H THR A 26 -9.023 4.128 -6.173 1.00 0.00 H new ATOM 0 HA THR A 26 -9.831 5.338 -3.651 1.00 0.00 H new ATOM 0 HB THR A 26 -9.356 3.023 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.337 1.391 -4.536 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.408 2.031 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.633 3.727 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.432 3.316 -5.015 1.00 0.00 H new ATOM 443 N ILE A 27 -7.658 5.252 -2.345 1.00 0.00 N ATOM 444 CA ILE A 27 -6.351 5.451 -1.720 1.00 0.00 C ATOM 445 C ILE A 27 -6.311 4.975 -0.270 1.00 0.00 C ATOM 446 O ILE A 27 -7.130 5.379 0.554 1.00 0.00 O ATOM 447 CB ILE A 27 -5.992 6.947 -1.742 1.00 0.00 C ATOM 448 CG1 ILE A 27 -6.938 7.753 -0.831 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.041 7.479 -3.165 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.406 7.392 -0.949 1.00 0.00 C ATOM 0 H ILE A 27 -8.456 5.469 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.636 4.860 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.977 7.061 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.627 7.613 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.821 8.813 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.785 8.539 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.328 6.933 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.045 7.348 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.989 8.013 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.741 7.561 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.544 6.342 -0.690 1.00 0.00 H new ATOM 462 N CYS A 28 -5.317 4.144 0.034 1.00 0.00 N ATOM 463 CA CYS A 28 -5.092 3.611 1.382 1.00 0.00 C ATOM 464 C CYS A 28 -6.401 3.288 2.097 1.00 0.00 C ATOM 465 O CYS A 28 -6.445 3.197 3.326 1.00 0.00 O ATOM 466 CB CYS A 28 -4.247 4.558 2.220 1.00 0.00 C ATOM 467 SG CYS A 28 -3.490 3.775 3.665 1.00 0.00 S ATOM 0 H CYS A 28 -4.637 3.817 -0.652 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.543 2.677 1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.461 4.980 1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.870 5.388 2.553 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.636 4.545 4.702 1.00 0.00 H new ATOM 473 N ARG A 29 -7.447 3.070 1.323 1.00 0.00 N ATOM 474 CA ARG A 29 -8.743 2.717 1.873 1.00 0.00 C ATOM 475 C ARG A 29 -8.756 1.226 2.058 1.00 0.00 C ATOM 476 O ARG A 29 -9.138 0.706 3.104 1.00 0.00 O ATOM 477 CB ARG A 29 -9.872 3.154 0.935 1.00 0.00 C ATOM 478 CG ARG A 29 -10.202 4.634 1.026 1.00 0.00 C ATOM 479 CD ARG A 29 -10.884 5.132 -0.239 1.00 0.00 C ATOM 480 NE ARG A 29 -12.291 4.742 -0.294 1.00 0.00 N ATOM 481 CZ ARG A 29 -13.121 5.095 -1.272 1.00 0.00 C ATOM 482 NH1 ARG A 29 -12.691 5.846 -2.278 1.00 0.00 N ATOM 483 NH2 ARG A 29 -14.386 4.697 -1.244 1.00 0.00 N ATOM 0 H ARG A 29 -7.424 3.132 0.305 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.904 3.225 2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.593 2.915 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.767 2.576 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.850 4.811 1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.287 5.202 1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.807 6.218 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.364 4.736 -1.111 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.659 4.165 0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.720 6.156 -2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.332 6.113 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.722 4.120 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.022 4.968 -1.994 1.00 0.00 H new ATOM 497 N ASP A 30 -8.272 0.551 1.031 1.00 0.00 N ATOM 498 CA ASP A 30 -8.153 -0.893 1.058 1.00 0.00 C ATOM 499 C ASP A 30 -7.003 -1.281 1.983 1.00 0.00 C ATOM 500 O ASP A 30 -7.031 -2.334 2.623 1.00 0.00 O ATOM 501 CB ASP A 30 -7.909 -1.433 -0.350 1.00 0.00 C ATOM 502 CG ASP A 30 -9.166 -2.009 -0.974 1.00 0.00 C ATOM 503 OD1 ASP A 30 -10.027 -2.511 -0.222 1.00 0.00 O ATOM 504 OD2 ASP A 30 -9.289 -1.955 -2.216 1.00 0.00 O ATOM 0 H ASP A 30 -7.954 0.984 0.164 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.081 -1.327 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.527 -0.632 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.139 -2.204 -0.312 1.00 0.00 H new ATOM 509 N VAL A 31 -5.995 -0.407 2.055 1.00 0.00 N ATOM 510 CA VAL A 31 -4.834 -0.640 2.906 1.00 0.00 C ATOM 511 C VAL A 31 -5.224 -0.586 4.380 1.00 0.00 C ATOM 512 O VAL A 31 -4.934 -1.511 5.140 1.00 0.00 O ATOM 513 CB VAL A 31 -3.729 0.411 2.639 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.502 0.164 3.506 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.341 0.430 1.170 1.00 0.00 C ATOM 0 H VAL A 31 -5.963 0.468 1.532 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.450 -1.632 2.668 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.138 1.386 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.747 0.920 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.783 0.219 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.097 -0.824 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.563 1.177 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.967 -0.552 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.214 0.679 0.566 1.00 0.00 H new ATOM 525 N VAL A 32 -5.884 0.496 4.781 1.00 0.00 N ATOM 526 CA VAL A 32 -6.306 0.650 6.169 1.00 0.00 C ATOM 527 C VAL A 32 -7.483 -0.263 6.506 1.00 0.00 C ATOM 528 O VAL A 32 -7.501 -0.898 7.560 1.00 0.00 O ATOM 529 CB VAL A 32 -6.677 2.111 6.488 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.202 2.232 7.913 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.472 3.016 6.280 1.00 0.00 C ATOM 0 H VAL A 32 -6.137 1.273 4.171 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.455 0.361 6.786 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.468 2.426 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.459 3.271 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.089 1.609 8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.434 1.902 8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.747 4.046 6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.663 2.701 6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.142 2.950 5.243 1.00 0.00 H new ATOM 541 N ASP A 33 -8.467 -0.315 5.616 1.00 0.00 N ATOM 542 CA ASP A 33 -9.650 -1.141 5.834 1.00 0.00 C ATOM 543 C ASP A 33 -9.289 -2.608 6.045 1.00 0.00 C ATOM 544 O ASP A 33 -9.825 -3.262 6.940 1.00 0.00 O ATOM 545 CB ASP A 33 -10.619 -1.013 4.657 1.00 0.00 C ATOM 546 CG ASP A 33 -11.334 0.324 4.637 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.538 0.904 5.723 1.00 0.00 O ATOM 548 OD2 ASP A 33 -11.688 0.791 3.534 1.00 0.00 O ATOM 0 H ASP A 33 -8.470 0.204 4.738 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.132 -0.778 6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.071 -1.142 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.356 -1.815 4.708 1.00 0.00 H new ATOM 553 N LEU A 34 -8.394 -3.133 5.211 1.00 0.00 N ATOM 554 CA LEU A 34 -7.999 -4.533 5.319 1.00 0.00 C ATOM 555 C LEU A 34 -6.989 -4.758 6.443 1.00 0.00 C ATOM 556 O LEU A 34 -7.014 -5.798 7.100 1.00 0.00 O ATOM 557 CB LEU A 34 -7.422 -5.028 3.992 1.00 0.00 C ATOM 558 CG LEU A 34 -8.456 -5.270 2.889 1.00 0.00 C ATOM 559 CD1 LEU A 34 -7.768 -5.606 1.576 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.416 -6.382 3.290 1.00 0.00 C ATOM 0 H LEU A 34 -7.934 -2.616 4.462 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.896 -5.104 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.695 -4.299 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.880 -5.957 4.172 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.031 -4.354 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.519 -5.775 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.124 -4.778 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.167 -6.507 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.143 -6.539 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.857 -7.302 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.936 -6.101 4.206 1.00 0.00 H new ATOM 572 N CYS A 35 -6.100 -3.792 6.664 1.00 0.00 N ATOM 573 CA CYS A 35 -5.097 -3.923 7.713 1.00 0.00 C ATOM 574 C CYS A 35 -5.428 -3.055 8.920 1.00 0.00 C ATOM 575 O CYS A 35 -4.542 -2.470 9.542 1.00 0.00 O ATOM 576 CB CYS A 35 -3.714 -3.568 7.174 1.00 0.00 C ATOM 577 SG CYS A 35 -3.013 -4.808 6.063 1.00 0.00 S ATOM 0 H CYS A 35 -6.055 -2.920 6.136 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.098 -4.963 8.040 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.775 -2.616 6.646 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.035 -3.423 8.014 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.829 -5.816 5.967 1.00 0.00 H new ATOM 583 N LYS A 36 -6.706 -2.993 9.253 1.00 0.00 N ATOM 584 CA LYS A 36 -7.163 -2.214 10.397 1.00 0.00 C ATOM 585 C LYS A 36 -7.169 -3.070 11.661 1.00 0.00 C ATOM 586 O LYS A 36 -6.810 -4.248 11.625 1.00 0.00 O ATOM 587 CB LYS A 36 -8.564 -1.652 10.142 1.00 0.00 C ATOM 588 CG LYS A 36 -8.693 -0.174 10.469 1.00 0.00 C ATOM 589 CD LYS A 36 -10.145 0.228 10.669 1.00 0.00 C ATOM 590 CE LYS A 36 -10.910 0.220 9.354 1.00 0.00 C ATOM 591 NZ LYS A 36 -11.078 1.593 8.799 1.00 0.00 N ATOM 0 H LYS A 36 -7.450 -3.474 8.747 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.472 -1.383 10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.825 -1.808 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.285 -2.212 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.125 0.051 11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.258 0.417 9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.620 -0.456 11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.191 1.223 11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.382 -0.402 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.890 -0.232 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.236 1.536 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.895 2.052 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.220 2.151 8.987 1.00 0.00 H new ATOM 679 N CYS A 43 -4.314 6.661 11.218 1.00 0.00 N ATOM 680 CA CYS A 43 -3.249 5.740 10.842 1.00 0.00 C ATOM 681 C CYS A 43 -2.733 6.041 9.437 1.00 0.00 C ATOM 682 O CYS A 43 -3.463 6.566 8.596 1.00 0.00 O ATOM 683 CB CYS A 43 -3.746 4.295 10.914 1.00 0.00 C ATOM 684 SG CYS A 43 -4.331 3.798 12.552 1.00 0.00 S ATOM 0 HA CYS A 43 -2.428 5.872 11.546 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.555 4.164 10.195 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.939 3.629 10.610 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.733 2.562 12.513 1.00 0.00 H new ATOM 690 N HIS A 44 -1.471 5.703 9.194 1.00 0.00 N ATOM 691 CA HIS A 44 -0.849 5.931 7.894 1.00 0.00 C ATOM 692 C HIS A 44 -0.299 4.623 7.326 1.00 0.00 C ATOM 693 O HIS A 44 -0.043 3.671 8.068 1.00 0.00 O ATOM 694 CB HIS A 44 0.261 6.988 8.012 1.00 0.00 C ATOM 695 CG HIS A 44 1.649 6.425 8.100 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.316 5.892 7.017 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.496 6.316 9.152 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.512 5.478 7.398 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.645 5.725 8.688 1.00 0.00 N ATOM 0 H HIS A 44 -0.857 5.269 9.883 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.606 6.306 7.205 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.206 7.652 7.150 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.073 7.597 8.896 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.944 5.827 6.069 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.303 6.634 10.166 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.254 5.017 6.763 1.00 0.00 H new ATOM 708 N LEU A 45 -0.115 4.579 6.010 1.00 0.00 N ATOM 709 CA LEU A 45 0.408 3.388 5.364 1.00 0.00 C ATOM 710 C LEU A 45 1.875 3.601 5.012 1.00 0.00 C ATOM 711 O LEU A 45 2.288 4.721 4.743 1.00 0.00 O ATOM 712 CB LEU A 45 -0.428 3.061 4.120 1.00 0.00 C ATOM 713 CG LEU A 45 0.252 2.183 3.065 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.526 0.798 3.624 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.605 2.093 1.809 1.00 0.00 C ATOM 0 H LEU A 45 -0.320 5.351 5.376 1.00 0.00 H new ATOM 0 HA LEU A 45 0.342 2.538 6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.343 2.564 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.723 3.998 3.648 1.00 0.00 H new ATOM 0 HG LEU A 45 1.204 2.642 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.009 0.187 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.180 0.879 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.414 0.332 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.105 1.465 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.573 1.658 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.751 3.091 1.396 1.00 0.00 H new ATOM 727 N ALA A 46 2.662 2.532 5.040 1.00 0.00 N ATOM 728 CA ALA A 46 4.089 2.633 4.740 1.00 0.00 C ATOM 729 C ALA A 46 4.442 1.904 3.446 1.00 0.00 C ATOM 730 O ALA A 46 3.769 0.949 3.058 1.00 0.00 O ATOM 731 CB ALA A 46 4.908 2.079 5.895 1.00 0.00 C ATOM 0 H ALA A 46 2.341 1.590 5.266 1.00 0.00 H new ATOM 0 HA ALA A 46 4.328 3.688 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.969 2.160 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.692 2.648 6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.650 1.032 6.055 1.00 0.00 H new ATOM 737 N GLU A 47 5.511 2.351 2.787 1.00 0.00 N ATOM 738 CA GLU A 47 5.954 1.716 1.553 1.00 0.00 C ATOM 739 C GLU A 47 7.473 1.534 1.552 1.00 0.00 C ATOM 740 O GLU A 47 8.230 2.501 1.473 1.00 0.00 O ATOM 741 CB GLU A 47 5.522 2.547 0.352 1.00 0.00 C ATOM 742 CG GLU A 47 6.218 3.894 0.246 1.00 0.00 C ATOM 743 CD GLU A 47 5.522 4.832 -0.719 1.00 0.00 C ATOM 744 OE1 GLU A 47 4.856 5.779 -0.250 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.643 4.621 -1.944 1.00 0.00 O ATOM 0 H GLU A 47 6.080 3.143 3.086 1.00 0.00 H new ATOM 0 HA GLU A 47 5.491 0.731 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.714 1.978 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.445 2.710 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.259 4.357 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.248 3.743 -0.078 1.00 0.00 H new ATOM 752 N VAL A 48 7.902 0.277 1.629 1.00 0.00 N ATOM 753 CA VAL A 48 9.322 -0.067 1.626 1.00 0.00 C ATOM 754 C VAL A 48 9.654 -1.055 0.518 1.00 0.00 C ATOM 755 O VAL A 48 9.001 -2.092 0.396 1.00 0.00 O ATOM 756 CB VAL A 48 9.783 -0.650 2.977 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.303 -0.670 3.054 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.192 0.142 4.136 1.00 0.00 C ATOM 0 H VAL A 48 7.279 -0.528 1.695 1.00 0.00 H new ATOM 0 HA VAL A 48 9.857 0.866 1.450 1.00 0.00 H new ATOM 0 HB VAL A 48 9.422 -1.676 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.613 -1.084 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.700 -1.286 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.686 0.346 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.530 -0.287 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.518 1.180 4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.104 0.100 4.088 1.00 0.00 H new ATOM 768 N TRP A 49 10.674 -0.760 -0.273 1.00 0.00 N ATOM 769 CA TRP A 49 11.068 -1.671 -1.337 1.00 0.00 C ATOM 770 C TRP A 49 12.581 -1.657 -1.552 1.00 0.00 C ATOM 771 O TRP A 49 13.194 -0.594 -1.660 1.00 0.00 O ATOM 772 CB TRP A 49 10.305 -1.342 -2.620 1.00 0.00 C ATOM 773 CG TRP A 49 11.144 -0.838 -3.738 1.00 0.00 C ATOM 774 CD1 TRP A 49 11.660 -1.542 -4.783 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.549 0.498 -3.906 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.363 -0.700 -5.606 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.314 0.570 -5.079 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.324 1.638 -3.161 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.865 1.768 -5.526 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.866 2.834 -3.596 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.632 2.891 -4.772 1.00 0.00 C ATOM 0 H TRP A 49 11.236 0.088 -0.201 1.00 0.00 H new ATOM 0 HA TRP A 49 10.805 -2.686 -1.040 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.782 -2.238 -2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.544 -0.595 -2.391 1.00 0.00 H new ATOM 0 HD1 TRP A 49 11.535 -2.603 -4.940 1.00 0.00 H new ATOM 0 HE1 TRP A 49 12.842 -0.970 -6.465 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.736 1.597 -2.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.453 1.812 -6.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.698 3.735 -3.024 1.00 0.00 H new ATOM 0 HH2 TRP A 49 13.046 3.837 -5.089 1.00 0.00 H new ATOM 792 N CYS A 50 13.174 -2.846 -1.617 1.00 0.00 N ATOM 793 CA CYS A 50 14.613 -2.976 -1.823 1.00 0.00 C ATOM 794 C CYS A 50 15.392 -2.167 -0.790 1.00 0.00 C ATOM 795 O CYS A 50 16.472 -1.651 -1.076 1.00 0.00 O ATOM 796 CB CYS A 50 14.990 -2.523 -3.235 1.00 0.00 C ATOM 797 SG CYS A 50 15.061 -3.863 -4.445 1.00 0.00 S ATOM 0 H CYS A 50 12.679 -3.734 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 50 14.876 -4.027 -1.703 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.266 -1.781 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.961 -2.028 -3.199 1.00 0.00 H new ATOM 0 HG CYS A 50 15.385 -3.381 -5.608 1.00 0.00 H new ATOM 803 N GLY A 51 14.836 -2.060 0.412 1.00 0.00 N ATOM 804 CA GLY A 51 15.492 -1.311 1.467 1.00 0.00 C ATOM 805 C GLY A 51 15.036 0.135 1.528 1.00 0.00 C ATOM 806 O GLY A 51 15.238 0.813 2.535 1.00 0.00 O ATOM 0 H GLY A 51 13.943 -2.478 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.294 -1.791 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.571 -1.342 1.312 1.00 0.00 H new ATOM 810 N SER A 52 14.418 0.609 0.449 1.00 0.00 N ATOM 811 CA SER A 52 13.934 1.983 0.391 1.00 0.00 C ATOM 812 C SER A 52 12.599 2.112 1.113 1.00 0.00 C ATOM 813 O SER A 52 11.545 1.845 0.537 1.00 0.00 O ATOM 814 CB SER A 52 13.783 2.432 -1.065 1.00 0.00 C ATOM 815 OG SER A 52 14.379 3.702 -1.270 1.00 0.00 O ATOM 0 H SER A 52 14.242 0.063 -0.394 1.00 0.00 H new ATOM 0 HA SER A 52 14.663 2.623 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.246 1.698 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.726 2.476 -1.328 1.00 0.00 H new ATOM 0 HG SER A 52 14.271 3.967 -2.207 1.00 0.00 H new ATOM 821 N GLU A 53 12.649 2.523 2.374 1.00 0.00 N ATOM 822 CA GLU A 53 11.441 2.687 3.171 1.00 0.00 C ATOM 823 C GLU A 53 10.953 4.131 3.134 1.00 0.00 C ATOM 824 O GLU A 53 11.730 5.064 3.339 1.00 0.00 O ATOM 825 CB GLU A 53 11.696 2.260 4.618 1.00 0.00 C ATOM 826 CG GLU A 53 12.936 2.892 5.229 1.00 0.00 C ATOM 827 CD GLU A 53 13.010 2.695 6.730 1.00 0.00 C ATOM 828 OE1 GLU A 53 14.127 2.477 7.247 1.00 0.00 O ATOM 829 OE2 GLU A 53 11.952 2.761 7.391 1.00 0.00 O ATOM 0 H GLU A 53 13.513 2.749 2.866 1.00 0.00 H new ATOM 0 HA GLU A 53 10.667 2.051 2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.829 2.522 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.795 1.175 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.824 2.463 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.944 3.959 5.005 1.00 0.00 H new ATOM 836 N ARG A 54 9.663 4.309 2.873 1.00 0.00 N ATOM 837 CA ARG A 54 9.072 5.641 2.811 1.00 0.00 C ATOM 838 C ARG A 54 7.655 5.634 3.381 1.00 0.00 C ATOM 839 O ARG A 54 6.943 4.635 3.284 1.00 0.00 O ATOM 840 CB ARG A 54 9.049 6.145 1.367 1.00 0.00 C ATOM 841 CG ARG A 54 10.406 6.608 0.862 1.00 0.00 C ATOM 842 CD ARG A 54 10.562 8.115 0.986 1.00 0.00 C ATOM 843 NE ARG A 54 11.898 8.561 0.596 1.00 0.00 N ATOM 844 CZ ARG A 54 12.378 9.775 0.851 1.00 0.00 C ATOM 845 NH1 ARG A 54 11.636 10.669 1.494 1.00 0.00 N ATOM 846 NH2 ARG A 54 13.604 10.098 0.463 1.00 0.00 N ATOM 0 H ARG A 54 9.006 3.548 2.701 1.00 0.00 H new ATOM 0 HA ARG A 54 9.685 6.312 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.682 5.349 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.341 6.970 1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.195 6.112 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.528 6.313 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.818 8.609 0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.365 8.416 2.015 1.00 0.00 H new ATOM 0 HE ARG A 54 12.498 7.902 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.692 10.426 1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.010 11.598 1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.179 9.416 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.972 11.029 0.658 1.00 0.00 H new ATOM 860 N PRO A 55 7.227 6.752 3.992 1.00 0.00 N ATOM 861 CA PRO A 55 5.895 6.870 4.580 1.00 0.00 C ATOM 862 C PRO A 55 4.833 7.243 3.550 1.00 0.00 C ATOM 863 O PRO A 55 4.931 8.279 2.893 1.00 0.00 O ATOM 864 CB PRO A 55 6.077 7.999 5.589 1.00 0.00 C ATOM 865 CG PRO A 55 7.107 8.885 4.975 1.00 0.00 C ATOM 866 CD PRO A 55 8.013 7.990 4.162 1.00 0.00 C ATOM 0 HA PRO A 55 5.547 5.932 5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.143 8.534 5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.406 7.618 6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.641 9.642 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.672 9.414 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.262 8.440 3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.954 7.799 4.678 1.00 0.00 H new ATOM 874 N VAL A 56 3.815 6.397 3.416 1.00 0.00 N ATOM 875 CA VAL A 56 2.735 6.650 2.468 1.00 0.00 C ATOM 876 C VAL A 56 1.496 7.212 3.168 1.00 0.00 C ATOM 877 O VAL A 56 1.032 6.681 4.191 1.00 0.00 O ATOM 878 CB VAL A 56 2.336 5.384 1.653 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.233 4.191 1.980 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.863 5.035 1.875 1.00 0.00 C ATOM 0 H VAL A 56 3.716 5.534 3.950 1.00 0.00 H new ATOM 0 HA VAL A 56 3.125 7.390 1.769 1.00 0.00 H new ATOM 0 HB VAL A 56 2.479 5.618 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.921 3.329 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.268 4.438 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.151 3.954 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.608 4.148 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.691 4.839 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.239 5.869 1.554 1.00 0.00 H new ATOM 890 N ALA A 57 0.951 8.272 2.586 1.00 0.00 N ATOM 891 CA ALA A 57 -0.241 8.909 3.114 1.00 0.00 C ATOM 892 C ALA A 57 -1.474 8.109 2.729 1.00 0.00 C ATOM 893 O ALA A 57 -1.554 7.569 1.623 1.00 0.00 O ATOM 894 CB ALA A 57 -0.349 10.324 2.582 1.00 0.00 C ATOM 0 H ALA A 57 1.321 8.709 1.742 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.172 8.945 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.246 10.796 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.528 10.895 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.407 10.300 1.494 1.00 0.00 H new ATOM 900 N ASP A 58 -2.426 8.014 3.644 1.00 0.00 N ATOM 901 CA ASP A 58 -3.631 7.249 3.382 1.00 0.00 C ATOM 902 C ASP A 58 -4.408 7.784 2.186 1.00 0.00 C ATOM 903 O ASP A 58 -5.310 7.116 1.685 1.00 0.00 O ATOM 904 CB ASP A 58 -4.544 7.206 4.604 1.00 0.00 C ATOM 905 CG ASP A 58 -3.791 6.884 5.880 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.793 5.703 6.288 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.200 7.812 6.471 1.00 0.00 O ATOM 0 H ASP A 58 -2.388 8.452 4.564 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.300 6.237 3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.044 8.168 4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.322 6.459 4.446 1.00 0.00 H new ATOM 912 N ASN A 59 -4.078 8.984 1.733 1.00 0.00 N ATOM 913 CA ASN A 59 -4.784 9.567 0.603 1.00 0.00 C ATOM 914 C ASN A 59 -4.028 9.361 -0.711 1.00 0.00 C ATOM 915 O ASN A 59 -4.252 10.085 -1.681 1.00 0.00 O ATOM 916 CB ASN A 59 -5.028 11.059 0.840 1.00 0.00 C ATOM 917 CG ASN A 59 -6.467 11.460 0.576 1.00 0.00 C ATOM 918 OD1 ASN A 59 -7.274 10.652 0.117 1.00 0.00 O ATOM 919 ND2 ASN A 59 -6.794 12.714 0.867 1.00 0.00 N ATOM 0 H ASN A 59 -3.337 9.566 2.124 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.742 9.054 0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.768 11.308 1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.368 11.639 0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.747 13.042 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.092 13.349 1.246 1.00 0.00 H new ATOM 926 N GLU A 60 -3.133 8.377 -0.743 1.00 0.00 N ATOM 927 CA GLU A 60 -2.356 8.094 -1.943 1.00 0.00 C ATOM 928 C GLU A 60 -2.972 6.948 -2.749 1.00 0.00 C ATOM 929 O GLU A 60 -3.302 5.897 -2.198 1.00 0.00 O ATOM 930 CB GLU A 60 -0.918 7.753 -1.562 1.00 0.00 C ATOM 931 CG GLU A 60 -0.237 8.831 -0.735 1.00 0.00 C ATOM 932 CD GLU A 60 0.597 9.773 -1.580 1.00 0.00 C ATOM 933 OE1 GLU A 60 1.187 9.311 -2.579 1.00 0.00 O ATOM 934 OE2 GLU A 60 0.660 10.974 -1.243 1.00 0.00 O ATOM 0 H GLU A 60 -2.929 7.765 0.047 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.364 8.986 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.911 6.818 -1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.340 7.584 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.993 9.404 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.400 8.361 0.015 1.00 0.00 H new ATOM 941 N ARG A 61 -3.118 7.158 -4.056 1.00 0.00 N ATOM 942 CA ARG A 61 -3.690 6.144 -4.942 1.00 0.00 C ATOM 943 C ARG A 61 -2.696 5.007 -5.159 1.00 0.00 C ATOM 944 O ARG A 61 -1.488 5.233 -5.176 1.00 0.00 O ATOM 945 CB ARG A 61 -4.079 6.769 -6.285 1.00 0.00 C ATOM 946 CG ARG A 61 -5.564 7.055 -6.427 1.00 0.00 C ATOM 947 CD ARG A 61 -5.867 8.531 -6.214 1.00 0.00 C ATOM 948 NE ARG A 61 -7.275 8.841 -6.445 1.00 0.00 N ATOM 949 CZ ARG A 61 -7.787 10.068 -6.359 1.00 0.00 C ATOM 950 NH1 ARG A 61 -7.011 11.096 -6.042 1.00 0.00 N ATOM 951 NH2 ARG A 61 -9.077 10.264 -6.590 1.00 0.00 N ATOM 0 H ARG A 61 -2.848 8.022 -4.526 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.586 5.739 -4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.526 7.700 -6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.770 6.100 -7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.901 6.752 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.122 6.459 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.596 8.813 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.250 9.128 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.903 8.074 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.018 10.949 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.408 12.034 -5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.677 9.476 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.470 11.203 -6.524 1.00 0.00 H new ATOM 965 N MET A 62 -3.213 3.787 -5.333 1.00 0.00 N ATOM 966 CA MET A 62 -2.361 2.607 -5.551 1.00 0.00 C ATOM 967 C MET A 62 -1.107 2.986 -6.336 1.00 0.00 C ATOM 968 O MET A 62 -0.033 3.185 -5.761 1.00 0.00 O ATOM 969 CB MET A 62 -3.134 1.514 -6.284 1.00 0.00 C ATOM 970 CG MET A 62 -2.299 0.280 -6.594 1.00 0.00 C ATOM 971 SD MET A 62 -2.081 0.011 -8.362 1.00 0.00 S ATOM 972 CE MET A 62 -0.404 -0.618 -8.404 1.00 0.00 C ATOM 0 H MET A 62 -4.213 3.588 -5.328 1.00 0.00 H new ATOM 0 HA MET A 62 -2.057 2.223 -4.577 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.992 1.219 -5.679 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.526 1.921 -7.216 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.321 0.381 -6.123 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.776 -0.596 -6.154 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.143 -0.143 -9.218 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.091 -0.398 -7.458 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.424 -1.696 -8.561 1.00 0.00 H new ATOM 982 N PHE A 63 -1.261 3.114 -7.646 1.00 0.00 N ATOM 983 CA PHE A 63 -0.147 3.493 -8.517 1.00 0.00 C ATOM 984 C PHE A 63 0.479 4.809 -8.063 1.00 0.00 C ATOM 985 O PHE A 63 1.687 5.014 -8.208 1.00 0.00 O ATOM 986 CB PHE A 63 -0.601 3.635 -9.976 1.00 0.00 C ATOM 987 CG PHE A 63 -1.681 2.677 -10.391 1.00 0.00 C ATOM 988 CD1 PHE A 63 -1.369 1.510 -11.071 1.00 0.00 C ATOM 989 CD2 PHE A 63 -3.008 2.949 -10.109 1.00 0.00 C ATOM 990 CE1 PHE A 63 -2.365 0.633 -11.458 1.00 0.00 C ATOM 991 CE2 PHE A 63 -4.005 2.077 -10.492 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.684 0.917 -11.167 1.00 0.00 C ATOM 0 H PHE A 63 -2.144 2.962 -8.133 1.00 0.00 H new ATOM 0 HA PHE A 63 0.594 2.696 -8.450 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.956 4.653 -10.135 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.262 3.493 -10.627 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.338 1.284 -11.301 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.266 3.856 -9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.111 -0.273 -11.988 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.036 2.302 -10.264 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.464 0.232 -11.467 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.340 5.702 -7.507 1.00 0.00 N ATOM 1003 CA ASP A 64 0.148 6.996 -7.041 1.00 0.00 C ATOM 1004 C ASP A 64 1.305 6.807 -6.084 1.00 0.00 C ATOM 1005 O ASP A 64 2.301 7.527 -6.137 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.969 7.776 -6.358 1.00 0.00 C ATOM 1007 CG ASP A 64 -0.703 9.268 -6.330 1.00 0.00 C ATOM 1008 OD1 ASP A 64 0.458 9.658 -6.082 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -1.653 10.046 -6.555 1.00 0.00 O ATOM 0 H ASP A 64 -1.340 5.552 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 64 0.492 7.564 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.909 7.588 -6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.090 7.413 -5.337 1.00 0.00 H new ATOM 1014 N VAL A 65 1.173 5.811 -5.225 1.00 0.00 N ATOM 1015 CA VAL A 65 2.218 5.500 -4.272 1.00 0.00 C ATOM 1016 C VAL A 65 3.345 4.762 -4.976 1.00 0.00 C ATOM 1017 O VAL A 65 4.503 4.839 -4.570 1.00 0.00 O ATOM 1018 CB VAL A 65 1.687 4.631 -3.117 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.768 4.413 -2.069 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.451 5.264 -2.498 1.00 0.00 C ATOM 0 H VAL A 65 0.353 5.206 -5.170 1.00 0.00 H new ATOM 0 HA VAL A 65 2.583 6.438 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 65 1.405 3.658 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.373 3.797 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.621 3.910 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.086 5.376 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.090 4.636 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.703 6.251 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.327 5.359 -3.255 1.00 0.00 H new ATOM 1030 N LEU A 66 2.984 4.051 -6.043 1.00 0.00 N ATOM 1031 CA LEU A 66 3.940 3.285 -6.824 1.00 0.00 C ATOM 1032 C LEU A 66 4.757 4.180 -7.756 1.00 0.00 C ATOM 1033 O LEU A 66 5.752 3.741 -8.333 1.00 0.00 O ATOM 1034 CB LEU A 66 3.199 2.214 -7.627 1.00 0.00 C ATOM 1035 CG LEU A 66 3.669 0.781 -7.376 1.00 0.00 C ATOM 1036 CD1 LEU A 66 3.714 0.489 -5.885 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.760 -0.210 -8.085 1.00 0.00 C ATOM 0 H LEU A 66 2.025 3.993 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 66 4.640 2.810 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.136 2.278 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.308 2.436 -8.689 1.00 0.00 H new ATOM 0 HG LEU A 66 4.676 0.674 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.051 -0.535 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.405 1.178 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.718 0.614 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.110 -1.225 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.742 -0.101 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.776 -0.015 -9.157 1.00 0.00 H new ATOM 1049 N GLN A 67 4.331 5.431 -7.906 1.00 0.00 N ATOM 1050 CA GLN A 67 5.027 6.373 -8.777 1.00 0.00 C ATOM 1051 C GLN A 67 6.169 7.087 -8.049 1.00 0.00 C ATOM 1052 O GLN A 67 6.963 7.788 -8.676 1.00 0.00 O ATOM 1053 CB GLN A 67 4.040 7.404 -9.329 1.00 0.00 C ATOM 1054 CG GLN A 67 3.612 7.128 -10.761 1.00 0.00 C ATOM 1055 CD GLN A 67 2.395 7.935 -11.172 1.00 0.00 C ATOM 1056 OE1 GLN A 67 1.348 7.378 -11.500 1.00 0.00 O ATOM 1057 NE2 GLN A 67 2.529 9.257 -11.153 1.00 0.00 N ATOM 0 H GLN A 67 3.510 5.815 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 67 5.461 5.802 -9.598 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.156 7.426 -8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 67 4.494 8.394 -9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.439 7.356 -11.434 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.394 6.066 -10.873 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.416 9.676 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.745 9.853 -11.417 1.00 0.00 H new ATOM 1066 N ARG A 68 6.249 6.920 -6.730 1.00 0.00 N ATOM 1067 CA ARG A 68 7.296 7.569 -5.950 1.00 0.00 C ATOM 1068 C ARG A 68 8.547 6.696 -5.849 1.00 0.00 C ATOM 1069 O ARG A 68 9.661 7.210 -5.747 1.00 0.00 O ATOM 1070 CB ARG A 68 6.780 7.917 -4.552 1.00 0.00 C ATOM 1071 CG ARG A 68 6.556 6.712 -3.654 1.00 0.00 C ATOM 1072 CD ARG A 68 7.350 6.834 -2.366 1.00 0.00 C ATOM 1073 NE ARG A 68 6.667 7.664 -1.375 1.00 0.00 N ATOM 1074 CZ ARG A 68 6.993 8.928 -1.102 1.00 0.00 C ATOM 1075 NH1 ARG A 68 7.989 9.525 -1.748 1.00 0.00 N ATOM 1076 NH2 ARG A 68 6.318 9.599 -0.180 1.00 0.00 N ATOM 0 H ARG A 68 5.606 6.346 -6.185 1.00 0.00 H new ATOM 0 HA ARG A 68 7.572 8.488 -6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.492 8.588 -4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.842 8.464 -4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.495 6.619 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.848 5.803 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.521 5.841 -1.951 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.329 7.261 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 68 5.891 7.249 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.512 9.016 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.230 10.492 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.551 9.149 0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.566 10.566 0.031 1.00 0.00 H new ATOM 1090 N PHE A 69 8.363 5.380 -5.879 1.00 0.00 N ATOM 1091 CA PHE A 69 9.488 4.454 -5.792 1.00 0.00 C ATOM 1092 C PHE A 69 10.454 4.668 -6.954 1.00 0.00 C ATOM 1093 O PHE A 69 11.614 5.029 -6.752 1.00 0.00 O ATOM 1094 CB PHE A 69 8.995 3.006 -5.797 1.00 0.00 C ATOM 1095 CG PHE A 69 8.005 2.688 -4.712 1.00 0.00 C ATOM 1096 CD1 PHE A 69 6.659 2.914 -4.905 1.00 0.00 C ATOM 1097 CD2 PHE A 69 8.424 2.139 -3.510 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.745 2.598 -3.923 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.520 1.824 -2.517 1.00 0.00 C ATOM 1100 CZ PHE A 69 6.174 2.054 -2.731 1.00 0.00 C ATOM 0 H PHE A 69 7.451 4.932 -5.962 1.00 0.00 H new ATOM 0 HA PHE A 69 10.011 4.649 -4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.539 2.793 -6.764 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.853 2.342 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.317 3.343 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.476 1.955 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.693 2.777 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.860 1.402 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.456 1.807 -1.963 1.00 0.00 H new ATOM 1110 N GLY A 70 9.966 4.441 -8.169 1.00 0.00 N ATOM 1111 CA GLY A 70 10.795 4.612 -9.348 1.00 0.00 C ATOM 1112 C GLY A 70 10.290 3.805 -10.529 1.00 0.00 C ATOM 1113 O GLY A 70 9.139 3.948 -10.940 1.00 0.00 O ATOM 0 H GLY A 70 9.010 4.141 -8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.825 5.668 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.817 4.313 -9.117 1.00 0.00 H new ATOM 1117 N SER A 71 11.154 2.954 -11.073 1.00 0.00 N ATOM 1118 CA SER A 71 10.788 2.119 -12.212 1.00 0.00 C ATOM 1119 C SER A 71 10.074 0.854 -11.748 1.00 0.00 C ATOM 1120 O SER A 71 8.964 0.558 -12.188 1.00 0.00 O ATOM 1121 CB SER A 71 12.031 1.749 -13.022 1.00 0.00 C ATOM 1122 OG SER A 71 12.246 2.671 -14.078 1.00 0.00 O ATOM 0 H SER A 71 12.111 2.824 -10.744 1.00 0.00 H new ATOM 0 HA SER A 71 10.108 2.689 -12.846 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.903 1.731 -12.368 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.917 0.745 -13.430 1.00 0.00 H new ATOM 0 HG SER A 71 13.048 2.413 -14.579 1.00 0.00 H new ATOM 1128 N GLN A 72 10.720 0.113 -10.853 1.00 0.00 N ATOM 1129 CA GLN A 72 10.147 -1.119 -10.325 1.00 0.00 C ATOM 1130 C GLN A 72 8.952 -0.816 -9.426 1.00 0.00 C ATOM 1131 O GLN A 72 9.102 -0.630 -8.218 1.00 0.00 O ATOM 1132 CB GLN A 72 11.205 -1.902 -9.546 1.00 0.00 C ATOM 1133 CG GLN A 72 12.316 -2.458 -10.424 1.00 0.00 C ATOM 1134 CD GLN A 72 13.695 -2.211 -9.845 1.00 0.00 C ATOM 1135 OE1 GLN A 72 14.228 -1.104 -9.927 1.00 0.00 O ATOM 1136 NE2 GLN A 72 14.282 -3.245 -9.253 1.00 0.00 N ATOM 0 H GLN A 72 11.640 0.345 -10.479 1.00 0.00 H new ATOM 0 HA GLN A 72 9.803 -1.725 -11.164 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.642 -1.252 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.722 -2.725 -9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.168 -3.530 -10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.254 -2.004 -11.413 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.804 -4.145 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.210 -3.139 -8.844 1.00 0.00 H new ATOM 1145 N ARG A 73 7.769 -0.761 -10.026 1.00 0.00 N ATOM 1146 CA ARG A 73 6.546 -0.473 -9.286 1.00 0.00 C ATOM 1147 C ARG A 73 6.041 -1.706 -8.541 1.00 0.00 C ATOM 1148 O ARG A 73 5.422 -1.592 -7.483 1.00 0.00 O ATOM 1149 CB ARG A 73 5.465 0.043 -10.239 1.00 0.00 C ATOM 1150 CG ARG A 73 5.161 -0.910 -11.384 1.00 0.00 C ATOM 1151 CD ARG A 73 5.435 -0.267 -12.735 1.00 0.00 C ATOM 1152 NE ARG A 73 4.496 -0.722 -13.758 1.00 0.00 N ATOM 1153 CZ ARG A 73 4.286 -0.083 -14.907 1.00 0.00 C ATOM 1154 NH1 ARG A 73 4.941 1.038 -15.181 1.00 0.00 N ATOM 1155 NH2 ARG A 73 3.417 -0.567 -15.784 1.00 0.00 N ATOM 0 H ARG A 73 7.630 -0.912 -11.025 1.00 0.00 H new ATOM 0 HA ARG A 73 6.774 0.296 -8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.550 0.224 -9.674 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.781 1.002 -10.649 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.766 -1.810 -11.279 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.117 -1.220 -11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.371 0.817 -12.640 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.453 -0.500 -13.048 1.00 0.00 H new ATOM 0 HE ARG A 73 3.971 -1.579 -13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.610 1.415 -14.510 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.776 1.523 -16.063 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.910 -1.428 -15.578 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.255 -0.078 -16.665 1.00 0.00 H new ATOM 1169 N ASN A 74 6.308 -2.883 -9.097 1.00 0.00 N ATOM 1170 CA ASN A 74 5.878 -4.133 -8.479 1.00 0.00 C ATOM 1171 C ASN A 74 7.000 -4.739 -7.639 1.00 0.00 C ATOM 1172 O ASN A 74 7.241 -5.946 -7.683 1.00 0.00 O ATOM 1173 CB ASN A 74 5.428 -5.128 -9.552 1.00 0.00 C ATOM 1174 CG ASN A 74 4.115 -5.800 -9.203 1.00 0.00 C ATOM 1175 OD1 ASN A 74 3.055 -5.408 -9.690 1.00 0.00 O ATOM 1176 ND2 ASN A 74 4.180 -6.819 -8.353 1.00 0.00 N ATOM 0 H ASN A 74 6.819 -2.998 -9.972 1.00 0.00 H new ATOM 0 HA ASN A 74 5.036 -3.915 -7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.325 -4.609 -10.505 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.198 -5.888 -9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.329 -7.310 -8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.081 -7.110 -7.974 1.00 0.00 H new ATOM 1183 N GLU A 75 7.684 -3.892 -6.877 1.00 0.00 N ATOM 1184 CA GLU A 75 8.786 -4.340 -6.029 1.00 0.00 C ATOM 1185 C GLU A 75 8.673 -3.780 -4.612 1.00 0.00 C ATOM 1186 O GLU A 75 9.542 -4.026 -3.775 1.00 0.00 O ATOM 1187 CB GLU A 75 10.120 -3.894 -6.632 1.00 0.00 C ATOM 1188 CG GLU A 75 11.304 -4.733 -6.180 1.00 0.00 C ATOM 1189 CD GLU A 75 11.618 -5.862 -7.142 1.00 0.00 C ATOM 1190 OE1 GLU A 75 10.948 -6.914 -7.063 1.00 0.00 O ATOM 1191 OE2 GLU A 75 12.533 -5.695 -7.975 1.00 0.00 O ATOM 0 H GLU A 75 7.496 -2.891 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 75 8.737 -5.428 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.050 -3.936 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.300 -2.853 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.180 -4.093 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.096 -5.148 -5.194 1.00 0.00 H new ATOM 1198 N VAL A 76 7.615 -3.014 -4.351 1.00 0.00 N ATOM 1199 CA VAL A 76 7.415 -2.400 -3.039 1.00 0.00 C ATOM 1200 C VAL A 76 6.537 -3.252 -2.131 1.00 0.00 C ATOM 1201 O VAL A 76 5.836 -4.159 -2.580 1.00 0.00 O ATOM 1202 CB VAL A 76 6.802 -0.978 -3.157 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.573 -0.596 -4.614 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.510 -0.834 -2.343 1.00 0.00 C ATOM 0 H VAL A 76 6.883 -2.804 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 76 8.406 -2.325 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 76 7.528 -0.285 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.143 0.404 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.523 -0.610 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.888 -1.309 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.119 0.177 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.772 -1.551 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.720 -1.025 -1.291 1.00 0.00 H new ATOM 1214 N ARG A 77 6.563 -2.910 -0.851 1.00 0.00 N ATOM 1215 CA ARG A 77 5.759 -3.579 0.155 1.00 0.00 C ATOM 1216 C ARG A 77 4.931 -2.541 0.889 1.00 0.00 C ATOM 1217 O ARG A 77 5.438 -1.483 1.248 1.00 0.00 O ATOM 1218 CB ARG A 77 6.648 -4.345 1.136 1.00 0.00 C ATOM 1219 CG ARG A 77 6.946 -5.771 0.696 1.00 0.00 C ATOM 1220 CD ARG A 77 8.420 -5.966 0.377 1.00 0.00 C ATOM 1221 NE ARG A 77 8.712 -7.337 -0.037 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.822 -7.698 -0.676 1.00 0.00 C ATOM 1223 NH1 ARG A 77 10.749 -6.795 -0.972 1.00 0.00 N ATOM 1224 NH2 ARG A 77 10.006 -8.965 -1.020 1.00 0.00 N ATOM 0 H ARG A 77 7.145 -2.158 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 77 5.100 -4.300 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.588 -3.807 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.163 -4.368 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.650 -6.464 1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.349 -6.013 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.714 -5.277 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 77 9.017 -5.717 1.254 1.00 0.00 H new ATOM 0 HE ARG A 77 8.024 -8.060 0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.612 -5.819 -0.709 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.598 -7.077 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.297 -9.663 -0.795 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.857 -9.242 -1.510 1.00 0.00 H new ATOM 1238 N PHE A 78 3.657 -2.832 1.095 1.00 0.00 N ATOM 1239 CA PHE A 78 2.779 -1.912 1.783 1.00 0.00 C ATOM 1240 C PHE A 78 2.488 -2.455 3.168 1.00 0.00 C ATOM 1241 O PHE A 78 2.339 -3.658 3.342 1.00 0.00 O ATOM 1242 CB PHE A 78 1.516 -1.703 0.962 1.00 0.00 C ATOM 1243 CG PHE A 78 1.824 -1.396 -0.473 1.00 0.00 C ATOM 1244 CD1 PHE A 78 2.086 -0.097 -0.873 1.00 0.00 C ATOM 1245 CD2 PHE A 78 1.867 -2.407 -1.421 1.00 0.00 C ATOM 1246 CE1 PHE A 78 2.381 0.189 -2.191 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.160 -2.126 -2.738 1.00 0.00 C ATOM 1248 CZ PHE A 78 2.417 -0.829 -3.123 1.00 0.00 C ATOM 0 H PHE A 78 3.212 -3.699 0.794 1.00 0.00 H new ATOM 0 HA PHE A 78 3.252 -0.937 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.896 -2.598 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.936 -0.886 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.059 0.701 -0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.669 -3.426 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.583 1.206 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.188 -2.922 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.647 -0.608 -4.155 1.00 0.00 H new ATOM 1258 N PHE A 79 2.483 -1.580 4.158 1.00 0.00 N ATOM 1259 CA PHE A 79 2.284 -2.003 5.539 1.00 0.00 C ATOM 1260 C PHE A 79 1.437 -1.000 6.310 1.00 0.00 C ATOM 1261 O PHE A 79 1.524 0.206 6.081 1.00 0.00 O ATOM 1262 CB PHE A 79 3.654 -2.194 6.207 1.00 0.00 C ATOM 1263 CG PHE A 79 4.798 -2.125 5.225 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.622 -3.218 5.000 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.032 -0.962 4.511 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.651 -3.148 4.083 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.056 -0.884 3.590 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.867 -1.984 3.377 1.00 0.00 C ATOM 0 H PHE A 79 2.614 -0.576 4.036 1.00 0.00 H new ATOM 0 HA PHE A 79 1.743 -2.949 5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.790 -1.429 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.674 -3.158 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.456 -4.134 5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.402 -0.101 4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.287 -4.005 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.223 0.030 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.670 -1.931 2.657 1.00 0.00 H new ATOM 1278 N LEU A 80 0.608 -1.505 7.220 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.260 -0.639 8.011 1.00 0.00 C ATOM 1280 C LEU A 80 0.400 -0.247 9.328 1.00 0.00 C ATOM 1281 O LEU A 80 0.756 -1.106 10.137 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.596 -1.339 8.274 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.848 -0.492 8.020 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -3.083 0.475 9.169 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -2.734 0.256 6.698 1.00 0.00 C ATOM 0 H LEU A 80 0.519 -2.500 7.426 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.439 0.274 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.649 -2.230 7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.611 -1.676 9.310 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.706 -1.161 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.976 1.067 8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.218 -0.085 10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.223 1.138 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.633 0.851 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.865 0.913 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.622 -0.460 5.883 1.00 0.00 H new ATOM 1297 N ARG A 81 0.562 1.058 9.536 1.00 0.00 N ATOM 1298 CA ARG A 81 1.181 1.568 10.755 1.00 0.00 C ATOM 1299 C ARG A 81 0.121 2.018 11.755 1.00 0.00 C ATOM 1300 O ARG A 81 -0.656 2.933 11.483 1.00 0.00 O ATOM 1301 CB ARG A 81 2.116 2.733 10.429 1.00 0.00 C ATOM 1302 CG ARG A 81 3.042 2.459 9.254 1.00 0.00 C ATOM 1303 CD ARG A 81 4.309 1.747 9.697 1.00 0.00 C ATOM 1304 NE ARG A 81 4.117 0.302 9.801 1.00 0.00 N ATOM 1305 CZ ARG A 81 5.115 -0.580 9.815 1.00 0.00 C ATOM 1306 NH1 ARG A 81 6.373 -0.168 9.732 1.00 0.00 N ATOM 1307 NH2 ARG A 81 4.852 -1.875 9.913 1.00 0.00 N ATOM 0 H ARG A 81 0.273 1.780 8.876 1.00 0.00 H new ATOM 0 HA ARG A 81 1.760 0.761 11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.518 3.618 10.211 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.717 2.963 11.309 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.522 1.851 8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.303 3.399 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.109 1.956 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.628 2.141 10.662 1.00 0.00 H new ATOM 0 HE ARG A 81 3.163 -0.052 9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.580 0.828 9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.134 -0.847 9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.886 -2.196 9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.616 -2.551 9.924 1.00 0.00 H new