USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 688 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 31 ASN : amide:sc= 0.131 K(o=-0.5,f=-3.9!) USER MOD Set 1.2: A 44 SER OG : rot 130:sc= -0.627 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 57:sc= 0.802 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 68 ASN : amide:sc=-0.00886 K(o=-0.0089,f=-0.56) USER MOD Single : A 71 ASN : amide:sc= -0.389 K(o=-0.39,f=-3.2!) USER MOD Single : A 74 ASN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.337 USER MOD Single : A 77 HIS : no HE2:sc= -3.58! C(o=-3.6!,f=-6.7!) USER MOD Single : A 79 GLN : amide:sc= -0.0175 K(o=-0.018,f=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ -113:sc=-0.00458 (180deg=-0.609) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00121 USER MOD Single : A 92 THR OG1 : rot 180:sc= -2.18 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0354 F(o=-0.83,f=-0.035) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 30:sc= -0.0784 USER MOD Single : A 103 SER OG : rot -52:sc= 0.264 USER MOD ----------------------------------------------------------------- ATOM 164 N GLU A 15 -6.884 9.371 -8.773 1.00 0.00 N ATOM 165 CA GLU A 15 -7.065 7.950 -9.017 1.00 0.00 C ATOM 166 C GLU A 15 -5.848 7.167 -8.520 1.00 0.00 C ATOM 167 O GLU A 15 -4.853 7.757 -8.103 1.00 0.00 O ATOM 168 CB GLU A 15 -7.324 7.677 -10.500 1.00 0.00 C ATOM 169 CG GLU A 15 -8.765 7.216 -10.729 1.00 0.00 C ATOM 170 CD GLU A 15 -8.936 6.628 -12.131 1.00 0.00 C ATOM 171 OE1 GLU A 15 -8.348 7.213 -13.067 1.00 0.00 O ATOM 172 OE2 GLU A 15 -9.650 5.608 -12.236 1.00 0.00 O ATOM 0 HA GLU A 15 -7.941 7.614 -8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.131 8.580 -11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.633 6.914 -10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.035 6.469 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.445 8.058 -10.598 1.00 0.00 H new ATOM 179 N PRO A 16 -5.971 5.814 -8.582 1.00 0.00 N ATOM 180 CA PRO A 16 -4.894 4.943 -8.143 1.00 0.00 C ATOM 181 C PRO A 16 -3.756 4.921 -9.165 1.00 0.00 C ATOM 182 O PRO A 16 -3.938 4.462 -10.292 1.00 0.00 O ATOM 183 CB PRO A 16 -5.542 3.583 -7.946 1.00 0.00 C ATOM 184 CG PRO A 16 -6.848 3.627 -8.723 1.00 0.00 C ATOM 185 CD PRO A 16 -7.135 5.079 -9.069 1.00 0.00 C ATOM 0 HA PRO A 16 -4.428 5.284 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.896 2.786 -8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.723 3.386 -6.889 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.774 3.026 -9.629 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.660 3.208 -8.129 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.266 5.212 -10.143 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.051 5.426 -8.591 1.00 0.00 H new ATOM 193 N ARG A 17 -2.608 5.424 -8.736 1.00 0.00 N ATOM 194 CA ARG A 17 -1.440 5.467 -9.600 1.00 0.00 C ATOM 195 C ARG A 17 -0.597 4.204 -9.417 1.00 0.00 C ATOM 196 O ARG A 17 -0.443 3.713 -8.300 1.00 0.00 O ATOM 197 CB ARG A 17 -0.579 6.696 -9.300 1.00 0.00 C ATOM 198 CG ARG A 17 0.020 6.615 -7.894 1.00 0.00 C ATOM 199 CD ARG A 17 -0.191 7.926 -7.133 1.00 0.00 C ATOM 200 NE ARG A 17 0.392 9.053 -7.895 1.00 0.00 N ATOM 201 CZ ARG A 17 0.139 10.343 -7.638 1.00 0.00 C ATOM 202 NH1 ARG A 17 -0.688 10.678 -6.639 1.00 0.00 N ATOM 203 NH2 ARG A 17 0.712 11.299 -8.382 1.00 0.00 N ATOM 0 H ARG A 17 -2.461 5.805 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.791 5.526 -10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.221 6.773 -10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.183 7.599 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.440 5.793 -7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.086 6.396 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.256 8.096 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.273 7.863 -6.149 1.00 0.00 H new ATOM 0 HE ARG A 17 1.026 8.834 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.125 9.951 -6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.880 11.661 -6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.341 11.044 -9.144 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.519 12.281 -8.187 1.00 0.00 H new ATOM 217 N LYS A 18 -0.073 3.714 -10.531 1.00 0.00 N ATOM 218 CA LYS A 18 0.751 2.518 -10.508 1.00 0.00 C ATOM 219 C LYS A 18 2.117 2.856 -9.909 1.00 0.00 C ATOM 220 O LYS A 18 2.918 3.549 -10.534 1.00 0.00 O ATOM 221 CB LYS A 18 0.828 1.893 -11.902 1.00 0.00 C ATOM 222 CG LYS A 18 2.048 0.978 -12.026 1.00 0.00 C ATOM 223 CD LYS A 18 1.966 0.123 -13.293 1.00 0.00 C ATOM 224 CE LYS A 18 0.637 -0.633 -13.358 1.00 0.00 C ATOM 225 NZ LYS A 18 0.769 -1.839 -14.206 1.00 0.00 N ATOM 0 H LYS A 18 -0.203 4.124 -11.456 1.00 0.00 H new ATOM 0 HA LYS A 18 0.302 1.758 -9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.080 1.323 -12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.881 2.680 -12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.957 1.579 -12.047 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.113 0.332 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.071 0.758 -14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.793 -0.586 -13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.325 -0.920 -12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.140 0.018 -13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.141 -2.341 -14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.046 -1.558 -15.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.496 -2.467 -13.806 1.00 0.00 H new ATOM 239 N ILE A 19 2.342 2.351 -8.705 1.00 0.00 N ATOM 240 CA ILE A 19 3.598 2.591 -8.015 1.00 0.00 C ATOM 241 C ILE A 19 4.367 1.274 -7.891 1.00 0.00 C ATOM 242 O ILE A 19 4.087 0.469 -7.005 1.00 0.00 O ATOM 243 CB ILE A 19 3.349 3.286 -6.675 1.00 0.00 C ATOM 244 CG1 ILE A 19 2.621 4.617 -6.875 1.00 0.00 C ATOM 245 CG2 ILE A 19 4.654 3.458 -5.895 1.00 0.00 C ATOM 246 CD1 ILE A 19 1.595 4.853 -5.764 1.00 0.00 C ATOM 0 H ILE A 19 1.675 1.776 -8.189 1.00 0.00 H new ATOM 0 HA ILE A 19 4.224 3.273 -8.590 1.00 0.00 H new ATOM 0 HB ILE A 19 2.698 2.649 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.344 5.433 -6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.121 4.620 -7.844 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.448 3.955 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.095 2.480 -5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.349 4.062 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.092 5.806 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.860 4.048 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.102 4.874 -4.799 1.00 0.00 H new ATOM 258 N ILE A 20 5.321 1.096 -8.793 1.00 0.00 N ATOM 259 CA ILE A 20 6.132 -0.109 -8.796 1.00 0.00 C ATOM 260 C ILE A 20 7.331 0.086 -7.864 1.00 0.00 C ATOM 261 O ILE A 20 8.257 0.828 -8.186 1.00 0.00 O ATOM 262 CB ILE A 20 6.520 -0.491 -10.225 1.00 0.00 C ATOM 263 CG1 ILE A 20 5.355 -1.173 -10.946 1.00 0.00 C ATOM 264 CG2 ILE A 20 7.785 -1.351 -10.239 1.00 0.00 C ATOM 265 CD1 ILE A 20 5.166 -0.595 -12.350 1.00 0.00 C ATOM 0 H ILE A 20 5.550 1.766 -9.527 1.00 0.00 H new ATOM 0 HA ILE A 20 5.561 -0.953 -8.410 1.00 0.00 H new ATOM 0 HB ILE A 20 6.747 0.424 -10.773 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.541 -2.245 -11.012 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.439 -1.043 -10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.039 -1.608 -11.267 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.608 -0.795 -9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.611 -2.264 -9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.332 -1.097 -12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.956 0.472 -12.279 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.075 -0.748 -12.932 1.00 0.00 H new ATOM 277 N LEU A 21 7.274 -0.594 -6.729 1.00 0.00 N ATOM 278 CA LEU A 21 8.343 -0.506 -5.749 1.00 0.00 C ATOM 279 C LEU A 21 9.178 -1.786 -5.794 1.00 0.00 C ATOM 280 O LEU A 21 8.637 -2.880 -5.954 1.00 0.00 O ATOM 281 CB LEU A 21 7.775 -0.191 -4.363 1.00 0.00 C ATOM 282 CG LEU A 21 6.969 1.105 -4.247 1.00 0.00 C ATOM 283 CD1 LEU A 21 6.391 1.266 -2.840 1.00 0.00 C ATOM 284 CD2 LEU A 21 7.811 2.313 -4.663 1.00 0.00 C ATOM 0 H LEU A 21 6.504 -1.209 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 21 9.012 0.320 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.138 -1.020 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.602 -0.146 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 21 6.127 1.047 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.823 2.195 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.734 0.425 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.203 1.293 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.215 3.221 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.686 2.387 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.133 2.193 -5.697 1.00 0.00 H new ATOM 296 N HIS A 22 10.484 -1.609 -5.652 1.00 0.00 N ATOM 297 CA HIS A 22 11.399 -2.737 -5.674 1.00 0.00 C ATOM 298 C HIS A 22 11.800 -3.102 -4.244 1.00 0.00 C ATOM 299 O HIS A 22 12.634 -2.431 -3.638 1.00 0.00 O ATOM 300 CB HIS A 22 12.604 -2.441 -6.570 1.00 0.00 C ATOM 301 CG HIS A 22 12.302 -2.508 -8.048 1.00 0.00 C ATOM 302 ND1 HIS A 22 12.361 -1.401 -8.876 1.00 0.00 N ATOM 303 CD2 HIS A 22 11.939 -3.561 -8.836 1.00 0.00 C ATOM 304 CE1 HIS A 22 12.045 -1.782 -10.106 1.00 0.00 C ATOM 305 NE2 HIS A 22 11.783 -3.120 -10.079 1.00 0.00 N ATOM 0 H HIS A 22 10.930 -0.701 -5.521 1.00 0.00 H new ATOM 0 HA HIS A 22 10.901 -3.605 -6.107 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.985 -1.448 -6.332 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.398 -3.151 -6.339 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.802 -4.580 -8.505 1.00 0.00 H new ATOM 0 HE1 HIS A 22 12.003 -1.144 -10.977 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.512 -3.688 -10.881 1.00 0.00 H new ATOM 313 N LYS A 23 11.186 -4.165 -3.744 1.00 0.00 N ATOM 314 CA LYS A 23 11.468 -4.627 -2.396 1.00 0.00 C ATOM 315 C LYS A 23 12.968 -4.506 -2.123 1.00 0.00 C ATOM 316 O LYS A 23 13.771 -5.224 -2.718 1.00 0.00 O ATOM 317 CB LYS A 23 10.917 -6.039 -2.188 1.00 0.00 C ATOM 318 CG LYS A 23 9.555 -5.999 -1.491 1.00 0.00 C ATOM 319 CD LYS A 23 9.372 -7.212 -0.577 1.00 0.00 C ATOM 320 CE LYS A 23 8.841 -8.414 -1.360 1.00 0.00 C ATOM 321 NZ LYS A 23 9.097 -9.670 -0.620 1.00 0.00 N ATOM 0 H LYS A 23 10.494 -4.719 -4.249 1.00 0.00 H new ATOM 0 HA LYS A 23 10.959 -4.000 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.822 -6.542 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.618 -6.623 -1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.468 -5.083 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.761 -5.978 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.324 -7.468 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.681 -6.964 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.771 -8.299 -1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.319 -8.458 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.730 -10.476 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.121 -9.786 -0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.620 -9.632 0.304 1.00 0.00 H new ATOM 335 N GLY A 24 13.302 -3.592 -1.224 1.00 0.00 N ATOM 336 CA GLY A 24 14.692 -3.368 -0.865 1.00 0.00 C ATOM 337 C GLY A 24 15.212 -4.487 0.040 1.00 0.00 C ATOM 338 O GLY A 24 16.315 -4.991 -0.163 1.00 0.00 O ATOM 0 H GLY A 24 12.634 -2.998 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.300 -3.313 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.790 -2.409 -0.356 1.00 0.00 H new ATOM 342 N SER A 25 14.393 -4.841 1.019 1.00 0.00 N ATOM 343 CA SER A 25 14.757 -5.891 1.955 1.00 0.00 C ATOM 344 C SER A 25 13.645 -6.078 2.990 1.00 0.00 C ATOM 345 O SER A 25 13.060 -7.156 3.090 1.00 0.00 O ATOM 346 CB SER A 25 16.082 -5.574 2.652 1.00 0.00 C ATOM 347 OG SER A 25 17.174 -6.277 2.067 1.00 0.00 O ATOM 0 H SER A 25 13.479 -4.420 1.184 1.00 0.00 H new ATOM 0 HA SER A 25 14.885 -6.818 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.272 -4.502 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.007 -5.834 3.708 1.00 0.00 H new ATOM 0 HG SER A 25 17.228 -6.062 1.112 1.00 0.00 H new ATOM 353 N THR A 26 13.387 -5.012 3.733 1.00 0.00 N ATOM 354 CA THR A 26 12.356 -5.045 4.756 1.00 0.00 C ATOM 355 C THR A 26 10.973 -5.182 4.115 1.00 0.00 C ATOM 356 O THR A 26 10.196 -6.060 4.487 1.00 0.00 O ATOM 357 CB THR A 26 12.504 -3.790 5.618 1.00 0.00 C ATOM 358 OG1 THR A 26 12.071 -2.732 4.768 1.00 0.00 O ATOM 359 CG2 THR A 26 13.967 -3.454 5.916 1.00 0.00 C ATOM 0 H THR A 26 13.874 -4.120 3.647 1.00 0.00 H new ATOM 0 HA THR A 26 12.468 -5.916 5.402 1.00 0.00 H new ATOM 0 HB THR A 26 11.965 -3.928 6.555 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.133 -1.880 5.249 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.016 -2.555 6.531 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.430 -4.284 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.499 -3.283 4.980 1.00 0.00 H new ATOM 367 N GLY A 27 10.708 -4.299 3.163 1.00 0.00 N ATOM 368 CA GLY A 27 9.432 -4.310 2.467 1.00 0.00 C ATOM 369 C GLY A 27 9.441 -3.331 1.292 1.00 0.00 C ATOM 370 O GLY A 27 10.442 -3.210 0.587 1.00 0.00 O ATOM 0 H GLY A 27 11.355 -3.572 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.220 -5.316 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.633 -4.045 3.160 1.00 0.00 H new ATOM 374 N LEU A 28 8.313 -2.658 1.116 1.00 0.00 N ATOM 375 CA LEU A 28 8.178 -1.693 0.038 1.00 0.00 C ATOM 376 C LEU A 28 8.609 -0.313 0.537 1.00 0.00 C ATOM 377 O LEU A 28 8.747 0.622 -0.251 1.00 0.00 O ATOM 378 CB LEU A 28 6.760 -1.725 -0.535 1.00 0.00 C ATOM 379 CG LEU A 28 6.430 -2.911 -1.443 1.00 0.00 C ATOM 380 CD1 LEU A 28 7.584 -3.205 -2.403 1.00 0.00 C ATOM 381 CD2 LEU A 28 6.042 -4.141 -0.620 1.00 0.00 C ATOM 0 H LEU A 28 7.484 -2.762 1.702 1.00 0.00 H new ATOM 0 HA LEU A 28 8.837 -1.952 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.054 -1.721 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.596 -0.806 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 28 5.565 -2.645 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.323 -4.052 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.771 -2.330 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.481 -3.442 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.812 -4.969 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.871 -4.420 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.166 -3.911 -0.013 1.00 0.00 H new ATOM 393 N GLY A 29 8.809 -0.227 1.844 1.00 0.00 N ATOM 394 CA GLY A 29 9.221 1.023 2.458 1.00 0.00 C ATOM 395 C GLY A 29 8.009 1.894 2.796 1.00 0.00 C ATOM 396 O GLY A 29 8.079 3.119 2.714 1.00 0.00 O ATOM 0 H GLY A 29 8.693 -1.004 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.789 0.817 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.884 1.563 1.782 1.00 0.00 H new ATOM 400 N PHE A 30 6.926 1.227 3.167 1.00 0.00 N ATOM 401 CA PHE A 30 5.701 1.925 3.517 1.00 0.00 C ATOM 402 C PHE A 30 4.774 1.026 4.338 1.00 0.00 C ATOM 403 O PHE A 30 4.748 -0.188 4.144 1.00 0.00 O ATOM 404 CB PHE A 30 5.005 2.292 2.204 1.00 0.00 C ATOM 405 CG PHE A 30 4.356 1.104 1.491 1.00 0.00 C ATOM 406 CD1 PHE A 30 3.299 0.464 2.060 1.00 0.00 C ATOM 407 CD2 PHE A 30 4.835 0.689 0.288 1.00 0.00 C ATOM 408 CE1 PHE A 30 2.696 -0.638 1.397 1.00 0.00 C ATOM 409 CE2 PHE A 30 4.232 -0.413 -0.374 1.00 0.00 C ATOM 410 CZ PHE A 30 3.176 -1.054 0.195 1.00 0.00 C ATOM 0 H PHE A 30 6.872 0.211 3.233 1.00 0.00 H new ATOM 0 HA PHE A 30 5.932 2.806 4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.241 3.042 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.733 2.751 1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.918 0.794 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.674 1.197 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.856 -1.146 1.848 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.612 -0.742 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.719 -1.893 -0.308 1.00 0.00 H new ATOM 420 N ASN A 31 4.034 1.658 5.237 1.00 0.00 N ATOM 421 CA ASN A 31 3.108 0.931 6.089 1.00 0.00 C ATOM 422 C ASN A 31 1.714 0.960 5.460 1.00 0.00 C ATOM 423 O ASN A 31 1.496 1.636 4.455 1.00 0.00 O ATOM 424 CB ASN A 31 3.015 1.573 7.475 1.00 0.00 C ATOM 425 CG ASN A 31 3.126 0.517 8.576 1.00 0.00 C ATOM 426 OD1 ASN A 31 3.395 -0.648 8.331 1.00 0.00 O ATOM 427 ND2 ASN A 31 2.905 0.987 9.801 1.00 0.00 N ATOM 0 H ASN A 31 4.057 2.666 5.394 1.00 0.00 H new ATOM 0 HA ASN A 31 3.473 -0.091 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.809 2.311 7.592 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.069 2.105 7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.956 0.361 10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.684 1.974 9.937 1.00 0.00 H new ATOM 434 N ILE A 32 0.806 0.218 6.076 1.00 0.00 N ATOM 435 CA ILE A 32 -0.561 0.150 5.589 1.00 0.00 C ATOM 436 C ILE A 32 -1.520 0.077 6.779 1.00 0.00 C ATOM 437 O ILE A 32 -1.166 -0.446 7.835 1.00 0.00 O ATOM 438 CB ILE A 32 -0.721 -1.007 4.600 1.00 0.00 C ATOM 439 CG1 ILE A 32 -0.226 -2.321 5.209 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.027 -0.693 3.273 1.00 0.00 C ATOM 441 CD1 ILE A 32 -0.930 -3.520 4.570 1.00 0.00 C ATOM 0 H ILE A 32 0.990 -0.342 6.909 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.811 1.053 5.032 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.783 -1.131 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.851 -2.409 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.407 -2.319 6.284 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.156 -1.531 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.466 0.204 2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.036 -0.528 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.560 -4.441 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.005 -3.441 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.727 -3.533 3.499 1.00 0.00 H new ATOM 453 N VAL A 33 -2.714 0.611 6.570 1.00 0.00 N ATOM 454 CA VAL A 33 -3.726 0.613 7.613 1.00 0.00 C ATOM 455 C VAL A 33 -5.077 0.228 7.008 1.00 0.00 C ATOM 456 O VAL A 33 -5.187 0.034 5.798 1.00 0.00 O ATOM 457 CB VAL A 33 -3.751 1.973 8.315 1.00 0.00 C ATOM 458 CG1 VAL A 33 -2.332 2.497 8.545 1.00 0.00 C ATOM 459 CG2 VAL A 33 -4.586 2.982 7.525 1.00 0.00 C ATOM 0 H VAL A 33 -3.004 1.045 5.694 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.489 -0.128 8.376 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.221 1.839 9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.378 3.464 9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.780 1.793 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.825 2.608 7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.587 3.940 8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.158 3.110 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.609 2.616 7.435 1.00 0.00 H new ATOM 469 N GLY A 34 -6.072 0.130 7.877 1.00 0.00 N ATOM 470 CA GLY A 34 -7.412 -0.229 7.443 1.00 0.00 C ATOM 471 C GLY A 34 -7.789 -1.630 7.928 1.00 0.00 C ATOM 472 O GLY A 34 -7.268 -2.102 8.937 1.00 0.00 O ATOM 0 H GLY A 34 -5.978 0.293 8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.129 0.497 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.468 -0.190 6.355 1.00 0.00 H new ATOM 476 N GLY A 35 -8.692 -2.255 7.187 1.00 0.00 N ATOM 477 CA GLY A 35 -9.145 -3.593 7.529 1.00 0.00 C ATOM 478 C GLY A 35 -10.343 -3.539 8.478 1.00 0.00 C ATOM 479 O GLY A 35 -10.512 -4.420 9.321 1.00 0.00 O ATOM 0 H GLY A 35 -9.122 -1.860 6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.419 -4.131 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.331 -4.148 7.996 1.00 0.00 H new ATOM 483 N GLU A 36 -11.145 -2.498 8.310 1.00 0.00 N ATOM 484 CA GLU A 36 -12.323 -2.318 9.142 1.00 0.00 C ATOM 485 C GLU A 36 -13.573 -2.188 8.270 1.00 0.00 C ATOM 486 O GLU A 36 -13.659 -1.293 7.431 1.00 0.00 O ATOM 487 CB GLU A 36 -12.166 -1.105 10.060 1.00 0.00 C ATOM 488 CG GLU A 36 -11.020 -1.312 11.052 1.00 0.00 C ATOM 489 CD GLU A 36 -11.432 -0.887 12.463 1.00 0.00 C ATOM 490 OE1 GLU A 36 -12.128 -1.693 13.118 1.00 0.00 O ATOM 491 OE2 GLU A 36 -11.041 0.233 12.855 1.00 0.00 O ATOM 0 H GLU A 36 -11.002 -1.770 7.610 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.435 -3.198 9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.977 -0.214 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.095 -0.933 10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.723 -2.361 11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.151 -0.736 10.734 1.00 0.00 H new ATOM 498 N ASP A 37 -14.512 -3.095 8.498 1.00 0.00 N ATOM 499 CA ASP A 37 -15.754 -3.093 7.744 1.00 0.00 C ATOM 500 C ASP A 37 -15.453 -2.787 6.275 1.00 0.00 C ATOM 501 O ASP A 37 -16.264 -2.169 5.587 1.00 0.00 O ATOM 502 CB ASP A 37 -16.712 -2.019 8.263 1.00 0.00 C ATOM 503 CG ASP A 37 -18.185 -2.432 8.305 1.00 0.00 C ATOM 504 OD1 ASP A 37 -18.530 -3.379 7.566 1.00 0.00 O ATOM 505 OD2 ASP A 37 -18.932 -1.791 9.075 1.00 0.00 O ATOM 0 H ASP A 37 -14.437 -3.836 9.195 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.217 -4.074 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.402 -1.732 9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.616 -1.134 7.635 1.00 0.00 H new ATOM 510 N GLY A 38 -14.285 -3.236 5.838 1.00 0.00 N ATOM 511 CA GLY A 38 -13.867 -3.018 4.463 1.00 0.00 C ATOM 512 C GLY A 38 -13.869 -1.527 4.119 1.00 0.00 C ATOM 513 O GLY A 38 -14.388 -1.127 3.078 1.00 0.00 O ATOM 0 H GLY A 38 -13.616 -3.749 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.868 -3.428 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.535 -3.552 3.787 1.00 0.00 H new ATOM 517 N GLU A 39 -13.283 -0.745 5.014 1.00 0.00 N ATOM 518 CA GLU A 39 -13.210 0.693 4.818 1.00 0.00 C ATOM 519 C GLU A 39 -12.169 1.031 3.749 1.00 0.00 C ATOM 520 O GLU A 39 -12.245 2.081 3.114 1.00 0.00 O ATOM 521 CB GLU A 39 -12.898 1.410 6.133 1.00 0.00 C ATOM 522 CG GLU A 39 -11.391 1.447 6.393 1.00 0.00 C ATOM 523 CD GLU A 39 -10.810 2.823 6.061 1.00 0.00 C ATOM 524 OE1 GLU A 39 -11.589 3.798 6.127 1.00 0.00 O ATOM 525 OE2 GLU A 39 -9.601 2.868 5.748 1.00 0.00 O ATOM 0 H GLU A 39 -12.854 -1.080 5.877 1.00 0.00 H new ATOM 0 HA GLU A 39 -14.183 1.043 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.290 2.427 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.400 0.902 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.193 1.207 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.896 0.685 5.791 1.00 0.00 H new ATOM 532 N GLY A 40 -11.221 0.120 3.582 1.00 0.00 N ATOM 533 CA GLY A 40 -10.167 0.309 2.600 1.00 0.00 C ATOM 534 C GLY A 40 -8.791 0.321 3.269 1.00 0.00 C ATOM 535 O GLY A 40 -8.691 0.432 4.490 1.00 0.00 O ATOM 0 H GLY A 40 -11.161 -0.751 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.208 -0.489 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.325 1.247 2.068 1.00 0.00 H new ATOM 539 N ILE A 41 -7.764 0.205 2.440 1.00 0.00 N ATOM 540 CA ILE A 41 -6.398 0.201 2.936 1.00 0.00 C ATOM 541 C ILE A 41 -5.735 1.539 2.601 1.00 0.00 C ATOM 542 O ILE A 41 -6.015 2.131 1.560 1.00 0.00 O ATOM 543 CB ILE A 41 -5.637 -1.013 2.401 1.00 0.00 C ATOM 544 CG1 ILE A 41 -6.413 -2.306 2.664 1.00 0.00 C ATOM 545 CG2 ILE A 41 -4.220 -1.069 2.975 1.00 0.00 C ATOM 546 CD1 ILE A 41 -6.279 -2.739 4.125 1.00 0.00 C ATOM 0 H ILE A 41 -7.850 0.113 1.428 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.387 0.102 4.021 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.543 -0.908 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.465 -2.159 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.042 -3.096 2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.701 -1.942 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.678 -0.166 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.270 -1.140 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.840 -3.660 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.228 -2.909 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.674 -1.957 4.774 1.00 0.00 H new ATOM 558 N PHE A 42 -4.869 1.976 3.503 1.00 0.00 N ATOM 559 CA PHE A 42 -4.164 3.233 3.317 1.00 0.00 C ATOM 560 C PHE A 42 -2.764 3.172 3.930 1.00 0.00 C ATOM 561 O PHE A 42 -2.517 2.389 4.847 1.00 0.00 O ATOM 562 CB PHE A 42 -4.976 4.312 4.034 1.00 0.00 C ATOM 563 CG PHE A 42 -6.363 4.550 3.433 1.00 0.00 C ATOM 564 CD1 PHE A 42 -7.341 3.618 3.591 1.00 0.00 C ATOM 565 CD2 PHE A 42 -6.618 5.693 2.742 1.00 0.00 C ATOM 566 CE1 PHE A 42 -8.628 3.838 3.034 1.00 0.00 C ATOM 567 CE2 PHE A 42 -7.906 5.913 2.185 1.00 0.00 C ATOM 568 CZ PHE A 42 -8.884 4.981 2.342 1.00 0.00 C ATOM 0 H PHE A 42 -4.639 1.482 4.365 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.056 3.445 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.088 4.032 5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.417 5.247 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.138 2.710 4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.842 6.433 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.404 3.098 3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.109 6.821 1.636 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.863 5.148 1.918 1.00 0.00 H new ATOM 578 N VAL A 43 -1.883 4.009 3.401 1.00 0.00 N ATOM 579 CA VAL A 43 -0.515 4.060 3.885 1.00 0.00 C ATOM 580 C VAL A 43 -0.485 4.767 5.242 1.00 0.00 C ATOM 581 O VAL A 43 -1.112 5.810 5.417 1.00 0.00 O ATOM 582 CB VAL A 43 0.384 4.729 2.843 1.00 0.00 C ATOM 583 CG1 VAL A 43 1.761 5.048 3.431 1.00 0.00 C ATOM 584 CG2 VAL A 43 0.511 3.860 1.590 1.00 0.00 C ATOM 0 H VAL A 43 -2.091 4.657 2.642 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.125 3.053 4.034 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.083 5.670 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.380 5.523 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.647 5.723 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.237 4.126 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.155 4.358 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.944 2.896 1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.475 3.706 1.153 1.00 0.00 H new ATOM 594 N SER A 44 0.251 4.170 6.168 1.00 0.00 N ATOM 595 CA SER A 44 0.371 4.729 7.504 1.00 0.00 C ATOM 596 C SER A 44 1.675 5.520 7.625 1.00 0.00 C ATOM 597 O SER A 44 1.756 6.477 8.393 1.00 0.00 O ATOM 598 CB SER A 44 0.317 3.630 8.568 1.00 0.00 C ATOM 599 OG SER A 44 1.572 3.456 9.220 1.00 0.00 O ATOM 0 H SER A 44 0.770 3.305 6.019 1.00 0.00 H new ATOM 0 HA SER A 44 -0.471 5.401 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.444 3.878 9.307 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.016 2.691 8.104 1.00 0.00 H new ATOM 0 HG SER A 44 1.440 3.467 10.191 1.00 0.00 H new ATOM 605 N PHE A 45 2.664 5.091 6.854 1.00 0.00 N ATOM 606 CA PHE A 45 3.960 5.748 6.865 1.00 0.00 C ATOM 607 C PHE A 45 4.842 5.239 5.724 1.00 0.00 C ATOM 608 O PHE A 45 4.571 4.188 5.145 1.00 0.00 O ATOM 609 CB PHE A 45 4.625 5.403 8.200 1.00 0.00 C ATOM 610 CG PHE A 45 6.136 5.641 8.222 1.00 0.00 C ATOM 611 CD1 PHE A 45 6.625 6.892 8.434 1.00 0.00 C ATOM 612 CD2 PHE A 45 6.991 4.600 8.030 1.00 0.00 C ATOM 613 CE1 PHE A 45 8.028 7.112 8.454 1.00 0.00 C ATOM 614 CE2 PHE A 45 8.393 4.821 8.050 1.00 0.00 C ATOM 615 CZ PHE A 45 8.882 6.072 8.262 1.00 0.00 C ATOM 0 H PHE A 45 2.594 4.297 6.218 1.00 0.00 H new ATOM 0 HA PHE A 45 3.833 6.823 6.739 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.163 5.996 8.989 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.429 4.356 8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.947 7.718 8.587 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.603 3.606 7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.416 8.106 8.622 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.072 3.995 7.897 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.949 6.239 8.278 1.00 0.00 H new ATOM 625 N ILE A 46 5.881 6.009 5.433 1.00 0.00 N ATOM 626 CA ILE A 46 6.805 5.650 4.370 1.00 0.00 C ATOM 627 C ILE A 46 8.234 5.664 4.917 1.00 0.00 C ATOM 628 O ILE A 46 8.719 6.700 5.369 1.00 0.00 O ATOM 629 CB ILE A 46 6.602 6.556 3.155 1.00 0.00 C ATOM 630 CG1 ILE A 46 5.180 6.428 2.606 1.00 0.00 C ATOM 631 CG2 ILE A 46 7.657 6.279 2.082 1.00 0.00 C ATOM 632 CD1 ILE A 46 5.185 5.801 1.210 1.00 0.00 C ATOM 0 H ILE A 46 6.103 6.880 5.915 1.00 0.00 H new ATOM 0 HA ILE A 46 6.608 4.637 4.019 1.00 0.00 H new ATOM 0 HB ILE A 46 6.731 7.590 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.580 5.818 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.712 7.412 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.490 6.937 1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.650 6.462 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.584 5.240 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.162 5.722 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.766 6.427 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.631 4.808 1.259 1.00 0.00 H new ATOM 644 N LEU A 47 8.868 4.502 4.856 1.00 0.00 N ATOM 645 CA LEU A 47 10.232 4.368 5.339 1.00 0.00 C ATOM 646 C LEU A 47 11.130 5.362 4.601 1.00 0.00 C ATOM 647 O LEU A 47 10.849 5.730 3.461 1.00 0.00 O ATOM 648 CB LEU A 47 10.700 2.915 5.227 1.00 0.00 C ATOM 649 CG LEU A 47 12.129 2.633 5.694 1.00 0.00 C ATOM 650 CD1 LEU A 47 12.139 2.060 7.113 1.00 0.00 C ATOM 651 CD2 LEU A 47 12.860 1.724 4.704 1.00 0.00 C ATOM 0 H LEU A 47 8.462 3.645 4.480 1.00 0.00 H new ATOM 0 HA LEU A 47 10.287 4.615 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.020 2.289 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.611 2.605 4.186 1.00 0.00 H new ATOM 0 HG LEU A 47 12.671 3.578 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.167 1.868 7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.683 2.775 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.575 1.128 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.874 1.539 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.327 0.777 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.901 2.207 3.728 1.00 0.00 H new ATOM 663 N ALA A 48 12.192 5.769 5.280 1.00 0.00 N ATOM 664 CA ALA A 48 13.133 6.713 4.702 1.00 0.00 C ATOM 665 C ALA A 48 14.312 5.947 4.098 1.00 0.00 C ATOM 666 O ALA A 48 15.109 5.354 4.824 1.00 0.00 O ATOM 667 CB ALA A 48 13.575 7.713 5.773 1.00 0.00 C ATOM 0 H ALA A 48 12.422 5.462 6.225 1.00 0.00 H new ATOM 0 HA ALA A 48 12.663 7.281 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.281 8.422 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.705 8.251 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.054 7.179 6.594 1.00 0.00 H new ATOM 673 N GLY A 49 14.386 5.985 2.776 1.00 0.00 N ATOM 674 CA GLY A 49 15.454 5.301 2.066 1.00 0.00 C ATOM 675 C GLY A 49 14.917 4.088 1.304 1.00 0.00 C ATOM 676 O GLY A 49 15.588 3.562 0.417 1.00 0.00 O ATOM 0 H GLY A 49 13.724 6.479 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.932 5.990 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.219 4.981 2.773 1.00 0.00 H new ATOM 680 N GLY A 50 13.713 3.680 1.677 1.00 0.00 N ATOM 681 CA GLY A 50 13.079 2.539 1.040 1.00 0.00 C ATOM 682 C GLY A 50 12.719 2.853 -0.414 1.00 0.00 C ATOM 683 O GLY A 50 13.035 3.930 -0.917 1.00 0.00 O ATOM 0 H GLY A 50 13.160 4.120 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.749 1.680 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.179 2.264 1.590 1.00 0.00 H new ATOM 687 N PRO A 51 12.046 1.867 -1.065 1.00 0.00 N ATOM 688 CA PRO A 51 11.639 2.028 -2.451 1.00 0.00 C ATOM 689 C PRO A 51 10.440 2.970 -2.565 1.00 0.00 C ATOM 690 O PRO A 51 10.297 3.682 -3.558 1.00 0.00 O ATOM 691 CB PRO A 51 11.337 0.620 -2.938 1.00 0.00 C ATOM 692 CG PRO A 51 11.136 -0.220 -1.687 1.00 0.00 C ATOM 693 CD PRO A 51 11.655 0.579 -0.502 1.00 0.00 C ATOM 0 HA PRO A 51 12.412 2.491 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.445 0.606 -3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.157 0.231 -3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.081 -0.460 -1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.670 -1.167 -1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.887 0.698 0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.501 0.081 -0.029 1.00 0.00 H new ATOM 701 N ALA A 52 9.608 2.945 -1.534 1.00 0.00 N ATOM 702 CA ALA A 52 8.425 3.789 -1.506 1.00 0.00 C ATOM 703 C ALA A 52 8.846 5.243 -1.285 1.00 0.00 C ATOM 704 O ALA A 52 8.028 6.154 -1.399 1.00 0.00 O ATOM 705 CB ALA A 52 7.467 3.288 -0.424 1.00 0.00 C ATOM 0 H ALA A 52 9.730 2.354 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 52 7.896 3.741 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.580 3.921 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.175 2.261 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.962 3.325 0.546 1.00 0.00 H new ATOM 711 N ASP A 53 10.122 5.415 -0.971 1.00 0.00 N ATOM 712 CA ASP A 53 10.661 6.743 -0.733 1.00 0.00 C ATOM 713 C ASP A 53 11.620 7.111 -1.867 1.00 0.00 C ATOM 714 O ASP A 53 11.463 8.151 -2.504 1.00 0.00 O ATOM 715 CB ASP A 53 11.443 6.792 0.581 1.00 0.00 C ATOM 716 CG ASP A 53 12.012 8.165 0.945 1.00 0.00 C ATOM 717 OD1 ASP A 53 11.372 9.166 0.554 1.00 0.00 O ATOM 718 OD2 ASP A 53 13.073 8.183 1.604 1.00 0.00 O ATOM 0 H ASP A 53 10.798 4.657 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 53 9.826 7.442 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.789 6.461 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.265 6.078 0.524 1.00 0.00 H new ATOM 723 N LEU A 54 12.591 6.236 -2.085 1.00 0.00 N ATOM 724 CA LEU A 54 13.574 6.456 -3.132 1.00 0.00 C ATOM 725 C LEU A 54 12.860 6.588 -4.478 1.00 0.00 C ATOM 726 O LEU A 54 13.064 7.563 -5.200 1.00 0.00 O ATOM 727 CB LEU A 54 14.639 5.357 -3.106 1.00 0.00 C ATOM 728 CG LEU A 54 15.501 5.287 -1.845 1.00 0.00 C ATOM 729 CD1 LEU A 54 16.536 4.166 -1.949 1.00 0.00 C ATOM 730 CD2 LEU A 54 16.150 6.641 -1.549 1.00 0.00 C ATOM 0 H LEU A 54 12.718 5.374 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 54 14.108 7.391 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.143 4.395 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.297 5.496 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 54 14.853 5.049 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.135 4.139 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.026 3.211 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.185 4.348 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.758 6.564 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.781 6.933 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.374 7.392 -1.400 1.00 0.00 H new ATOM 742 N SER A 55 12.036 5.594 -4.775 1.00 0.00 N ATOM 743 CA SER A 55 11.290 5.587 -6.022 1.00 0.00 C ATOM 744 C SER A 55 10.652 6.958 -6.258 1.00 0.00 C ATOM 745 O SER A 55 10.381 7.333 -7.397 1.00 0.00 O ATOM 746 CB SER A 55 10.216 4.497 -6.015 1.00 0.00 C ATOM 747 OG SER A 55 9.603 4.344 -7.293 1.00 0.00 O ATOM 0 H SER A 55 11.868 4.788 -4.173 1.00 0.00 H new ATOM 0 HA SER A 55 11.984 5.371 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.662 3.550 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.455 4.743 -5.275 1.00 0.00 H new ATOM 0 HG SER A 55 8.925 3.638 -7.248 1.00 0.00 H new ATOM 753 N GLY A 56 10.431 7.669 -5.161 1.00 0.00 N ATOM 754 CA GLY A 56 9.831 8.990 -5.235 1.00 0.00 C ATOM 755 C GLY A 56 8.305 8.896 -5.295 1.00 0.00 C ATOM 756 O GLY A 56 7.613 9.910 -5.210 1.00 0.00 O ATOM 0 H GLY A 56 10.657 7.355 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.129 9.578 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.202 9.513 -6.117 1.00 0.00 H new ATOM 760 N GLU A 57 7.825 7.670 -5.442 1.00 0.00 N ATOM 761 CA GLU A 57 6.394 7.430 -5.515 1.00 0.00 C ATOM 762 C GLU A 57 5.857 6.998 -4.148 1.00 0.00 C ATOM 763 O GLU A 57 6.620 6.864 -3.193 1.00 0.00 O ATOM 764 CB GLU A 57 6.066 6.389 -6.587 1.00 0.00 C ATOM 765 CG GLU A 57 6.543 6.852 -7.965 1.00 0.00 C ATOM 766 CD GLU A 57 5.361 7.270 -8.842 1.00 0.00 C ATOM 767 OE1 GLU A 57 4.656 8.217 -8.431 1.00 0.00 O ATOM 768 OE2 GLU A 57 5.189 6.633 -9.904 1.00 0.00 O ATOM 0 H GLU A 57 8.402 6.832 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 57 5.904 8.361 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.539 5.440 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.991 6.213 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.232 7.690 -7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.095 6.048 -8.452 1.00 0.00 H new ATOM 775 N LEU A 58 4.549 6.792 -4.100 1.00 0.00 N ATOM 776 CA LEU A 58 3.902 6.378 -2.867 1.00 0.00 C ATOM 777 C LEU A 58 4.174 7.419 -1.779 1.00 0.00 C ATOM 778 O LEU A 58 5.166 8.143 -1.841 1.00 0.00 O ATOM 779 CB LEU A 58 4.335 4.962 -2.484 1.00 0.00 C ATOM 780 CG LEU A 58 3.206 3.959 -2.237 1.00 0.00 C ATOM 781 CD1 LEU A 58 3.766 2.585 -1.863 1.00 0.00 C ATOM 782 CD2 LEU A 58 2.226 4.484 -1.186 1.00 0.00 C ATOM 0 H LEU A 58 3.920 6.904 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 58 2.821 6.331 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.974 4.572 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.945 5.021 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 58 2.648 3.838 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.943 1.891 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.392 2.214 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.363 2.670 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.434 3.752 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.755 4.653 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.791 5.422 -1.531 1.00 0.00 H new ATOM 794 N ARG A 59 3.274 7.461 -0.807 1.00 0.00 N ATOM 795 CA ARG A 59 3.405 8.401 0.293 1.00 0.00 C ATOM 796 C ARG A 59 2.291 8.176 1.318 1.00 0.00 C ATOM 797 O ARG A 59 1.249 7.609 0.994 1.00 0.00 O ATOM 798 CB ARG A 59 3.344 9.846 -0.207 1.00 0.00 C ATOM 799 CG ARG A 59 2.400 9.972 -1.404 1.00 0.00 C ATOM 800 CD ARG A 59 2.466 11.376 -2.008 1.00 0.00 C ATOM 801 NE ARG A 59 1.248 11.642 -2.806 1.00 0.00 N ATOM 802 CZ ARG A 59 0.895 12.853 -3.258 1.00 0.00 C ATOM 803 NH1 ARG A 59 1.664 13.917 -2.992 1.00 0.00 N ATOM 804 NH2 ARG A 59 -0.228 13.000 -3.974 1.00 0.00 N ATOM 0 H ARG A 59 2.452 6.859 -0.759 1.00 0.00 H new ATOM 0 HA ARG A 59 4.375 8.231 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.006 10.499 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.342 10.179 -0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.666 9.234 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.379 9.754 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.560 12.118 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.351 11.469 -2.638 1.00 0.00 H new ATOM 0 HE ARG A 59 0.639 10.854 -3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.518 13.805 -2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.396 14.839 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.814 12.190 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.497 13.922 -4.318 1.00 0.00 H new ATOM 818 N ARG A 60 2.549 8.633 2.535 1.00 0.00 N ATOM 819 CA ARG A 60 1.582 8.489 3.609 1.00 0.00 C ATOM 820 C ARG A 60 0.267 9.176 3.235 1.00 0.00 C ATOM 821 O ARG A 60 0.236 10.385 3.009 1.00 0.00 O ATOM 822 CB ARG A 60 2.111 9.092 4.912 1.00 0.00 C ATOM 823 CG ARG A 60 1.023 9.118 5.987 1.00 0.00 C ATOM 824 CD ARG A 60 1.518 9.820 7.252 1.00 0.00 C ATOM 825 NE ARG A 60 0.469 10.724 7.773 1.00 0.00 N ATOM 826 CZ ARG A 60 0.002 11.793 7.113 1.00 0.00 C ATOM 827 NH1 ARG A 60 0.489 12.098 5.903 1.00 0.00 N ATOM 828 NH2 ARG A 60 -0.952 12.557 7.663 1.00 0.00 N ATOM 0 H ARG A 60 3.414 9.103 2.801 1.00 0.00 H new ATOM 0 HA ARG A 60 1.410 7.423 3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.963 8.511 5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.470 10.105 4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.141 9.631 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.720 8.099 6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.781 9.081 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.422 10.387 7.033 1.00 0.00 H new ATOM 0 HE ARG A 60 0.077 10.521 8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.215 11.517 5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.134 12.911 5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.323 12.325 8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.307 13.370 7.160 1.00 0.00 H new ATOM 842 N GLY A 61 -0.788 8.375 3.181 1.00 0.00 N ATOM 843 CA GLY A 61 -2.102 8.891 2.839 1.00 0.00 C ATOM 844 C GLY A 61 -2.522 8.436 1.440 1.00 0.00 C ATOM 845 O GLY A 61 -3.240 9.149 0.740 1.00 0.00 O ATOM 0 H GLY A 61 -0.759 7.373 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.833 8.549 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.092 9.980 2.884 1.00 0.00 H new ATOM 849 N ASP A 62 -2.057 7.250 1.074 1.00 0.00 N ATOM 850 CA ASP A 62 -2.376 6.691 -0.229 1.00 0.00 C ATOM 851 C ASP A 62 -3.157 5.388 -0.043 1.00 0.00 C ATOM 852 O ASP A 62 -2.619 4.405 0.463 1.00 0.00 O ATOM 853 CB ASP A 62 -1.104 6.371 -1.017 1.00 0.00 C ATOM 854 CG ASP A 62 -0.855 7.264 -2.233 1.00 0.00 C ATOM 855 OD1 ASP A 62 -1.587 7.083 -3.230 1.00 0.00 O ATOM 856 OD2 ASP A 62 0.063 8.108 -2.139 1.00 0.00 O ATOM 0 H ASP A 62 -1.462 6.661 1.657 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.965 7.427 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.249 6.451 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.152 5.334 -1.350 1.00 0.00 H new ATOM 861 N ARG A 63 -4.413 5.425 -0.461 1.00 0.00 N ATOM 862 CA ARG A 63 -5.274 4.259 -0.347 1.00 0.00 C ATOM 863 C ARG A 63 -4.776 3.140 -1.264 1.00 0.00 C ATOM 864 O ARG A 63 -4.706 3.313 -2.479 1.00 0.00 O ATOM 865 CB ARG A 63 -6.719 4.604 -0.714 1.00 0.00 C ATOM 866 CG ARG A 63 -7.682 3.518 -0.228 1.00 0.00 C ATOM 867 CD ARG A 63 -9.075 3.712 -0.830 1.00 0.00 C ATOM 868 NE ARG A 63 -9.985 2.648 -0.351 1.00 0.00 N ATOM 869 CZ ARG A 63 -9.891 1.360 -0.710 1.00 0.00 C ATOM 870 NH1 ARG A 63 -8.927 0.969 -1.555 1.00 0.00 N ATOM 871 NH2 ARG A 63 -10.761 0.464 -0.226 1.00 0.00 N ATOM 0 H ARG A 63 -4.856 6.243 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.244 3.924 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.992 5.562 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.807 4.716 -1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.297 2.536 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.745 3.543 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.467 4.690 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.016 3.689 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.731 2.911 0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.265 1.651 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.855 -0.011 -1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.496 0.762 0.416 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.689 -0.516 -0.500 1.00 0.00 H new ATOM 885 N ILE A 64 -4.444 2.016 -0.645 1.00 0.00 N ATOM 886 CA ILE A 64 -3.954 0.869 -1.390 1.00 0.00 C ATOM 887 C ILE A 64 -5.128 0.186 -2.095 1.00 0.00 C ATOM 888 O ILE A 64 -5.856 -0.594 -1.483 1.00 0.00 O ATOM 889 CB ILE A 64 -3.159 -0.065 -0.475 1.00 0.00 C ATOM 890 CG1 ILE A 64 -1.944 0.652 0.118 1.00 0.00 C ATOM 891 CG2 ILE A 64 -2.765 -1.348 -1.209 1.00 0.00 C ATOM 892 CD1 ILE A 64 -0.733 0.537 -0.809 1.00 0.00 C ATOM 0 H ILE A 64 -4.505 1.876 0.363 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.257 1.188 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.800 -0.355 0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.182 1.703 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.704 0.224 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.201 -1.994 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.664 -1.867 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.149 -1.098 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.116 1.055 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.483 -0.514 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.969 0.988 -1.773 1.00 0.00 H new ATOM 904 N LEU A 65 -5.275 0.503 -3.373 1.00 0.00 N ATOM 905 CA LEU A 65 -6.347 -0.070 -4.168 1.00 0.00 C ATOM 906 C LEU A 65 -6.061 -1.554 -4.409 1.00 0.00 C ATOM 907 O LEU A 65 -6.887 -2.408 -4.091 1.00 0.00 O ATOM 908 CB LEU A 65 -6.550 0.734 -5.454 1.00 0.00 C ATOM 909 CG LEU A 65 -7.381 2.012 -5.322 1.00 0.00 C ATOM 910 CD1 LEU A 65 -8.747 1.716 -4.700 1.00 0.00 C ATOM 911 CD2 LEU A 65 -6.616 3.085 -4.543 1.00 0.00 C ATOM 0 H LEU A 65 -4.669 1.150 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.293 -0.011 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.570 1.001 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.027 0.088 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.562 2.407 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.317 2.641 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.289 1.011 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.610 1.285 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.229 3.983 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.384 2.714 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.690 3.323 -5.066 1.00 0.00 H new ATOM 923 N SER A 66 -4.888 -1.814 -4.968 1.00 0.00 N ATOM 924 CA SER A 66 -4.483 -3.179 -5.255 1.00 0.00 C ATOM 925 C SER A 66 -2.973 -3.330 -5.054 1.00 0.00 C ATOM 926 O SER A 66 -2.244 -2.340 -5.037 1.00 0.00 O ATOM 927 CB SER A 66 -4.871 -3.582 -6.679 1.00 0.00 C ATOM 928 OG SER A 66 -4.571 -2.558 -7.623 1.00 0.00 O ATOM 0 H SER A 66 -4.206 -1.102 -5.230 1.00 0.00 H new ATOM 0 HA SER A 66 -5.004 -3.842 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.343 -4.495 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.937 -3.807 -6.715 1.00 0.00 H new ATOM 0 HG SER A 66 -4.832 -2.854 -8.520 1.00 0.00 H new ATOM 934 N VAL A 67 -2.550 -4.577 -4.906 1.00 0.00 N ATOM 935 CA VAL A 67 -1.141 -4.870 -4.707 1.00 0.00 C ATOM 936 C VAL A 67 -0.692 -5.916 -5.729 1.00 0.00 C ATOM 937 O VAL A 67 -1.065 -7.085 -5.631 1.00 0.00 O ATOM 938 CB VAL A 67 -0.896 -5.304 -3.260 1.00 0.00 C ATOM 939 CG1 VAL A 67 0.325 -6.220 -3.162 1.00 0.00 C ATOM 940 CG2 VAL A 67 -0.746 -4.090 -2.342 1.00 0.00 C ATOM 0 H VAL A 67 -3.158 -5.396 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.539 -3.977 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.766 -5.870 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.477 -6.514 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.162 -7.109 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.207 -5.690 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.573 -4.426 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.098 -3.486 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.657 -3.492 -2.378 1.00 0.00 H new ATOM 950 N ASN A 68 0.101 -5.460 -6.687 1.00 0.00 N ATOM 951 CA ASN A 68 0.604 -6.342 -7.726 1.00 0.00 C ATOM 952 C ASN A 68 -0.569 -6.857 -8.564 1.00 0.00 C ATOM 953 O ASN A 68 -0.575 -8.012 -8.986 1.00 0.00 O ATOM 954 CB ASN A 68 1.320 -7.551 -7.123 1.00 0.00 C ATOM 955 CG ASN A 68 2.504 -7.978 -7.993 1.00 0.00 C ATOM 956 OD1 ASN A 68 2.543 -7.747 -9.190 1.00 0.00 O ATOM 957 ND2 ASN A 68 3.465 -8.611 -7.326 1.00 0.00 N ATOM 0 H ASN A 68 0.408 -4.490 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 68 1.306 -5.776 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.670 -7.307 -6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.620 -8.380 -7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.298 -8.935 -7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.369 -8.772 -6.323 1.00 0.00 H new ATOM 964 N GLY A 69 -1.533 -5.974 -8.779 1.00 0.00 N ATOM 965 CA GLY A 69 -2.708 -6.325 -9.558 1.00 0.00 C ATOM 966 C GLY A 69 -3.639 -7.243 -8.764 1.00 0.00 C ATOM 967 O GLY A 69 -4.223 -8.172 -9.320 1.00 0.00 O ATOM 0 H GLY A 69 -1.524 -5.017 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.242 -5.419 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.403 -6.820 -10.480 1.00 0.00 H new ATOM 971 N VAL A 70 -3.749 -6.951 -7.477 1.00 0.00 N ATOM 972 CA VAL A 70 -4.599 -7.739 -6.600 1.00 0.00 C ATOM 973 C VAL A 70 -5.630 -6.823 -5.938 1.00 0.00 C ATOM 974 O VAL A 70 -5.270 -5.926 -5.177 1.00 0.00 O ATOM 975 CB VAL A 70 -3.742 -8.505 -5.590 1.00 0.00 C ATOM 976 CG1 VAL A 70 -4.617 -9.200 -4.544 1.00 0.00 C ATOM 977 CG2 VAL A 70 -2.828 -9.509 -6.295 1.00 0.00 C ATOM 0 H VAL A 70 -3.264 -6.179 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.149 -8.487 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.110 -7.784 -5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.983 -9.737 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.205 -8.455 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.286 -9.904 -5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.230 -10.040 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.434 -10.224 -6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.168 -8.980 -6.982 1.00 0.00 H new ATOM 987 N ASN A 71 -6.891 -7.081 -6.251 1.00 0.00 N ATOM 988 CA ASN A 71 -7.976 -6.291 -5.695 1.00 0.00 C ATOM 989 C ASN A 71 -7.994 -6.454 -4.174 1.00 0.00 C ATOM 990 O ASN A 71 -8.238 -7.548 -3.667 1.00 0.00 O ATOM 991 CB ASN A 71 -9.330 -6.756 -6.236 1.00 0.00 C ATOM 992 CG ASN A 71 -10.137 -5.576 -6.781 1.00 0.00 C ATOM 993 OD1 ASN A 71 -9.735 -4.427 -6.705 1.00 0.00 O ATOM 994 ND2 ASN A 71 -11.296 -5.924 -7.334 1.00 0.00 N ATOM 0 H ASN A 71 -7.186 -7.826 -6.882 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.813 -5.251 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.177 -7.492 -7.025 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.892 -7.250 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.908 -5.209 -7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.572 -6.905 -7.365 1.00 0.00 H new ATOM 1001 N LEU A 72 -7.732 -5.351 -3.489 1.00 0.00 N ATOM 1002 CA LEU A 72 -7.715 -5.359 -2.036 1.00 0.00 C ATOM 1003 C LEU A 72 -8.608 -4.232 -1.514 1.00 0.00 C ATOM 1004 O LEU A 72 -8.534 -3.869 -0.341 1.00 0.00 O ATOM 1005 CB LEU A 72 -6.277 -5.293 -1.517 1.00 0.00 C ATOM 1006 CG LEU A 72 -5.372 -6.467 -1.899 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -3.896 -6.077 -1.796 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -5.698 -7.705 -1.062 1.00 0.00 C ATOM 0 H LEU A 72 -7.530 -4.446 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.125 -6.294 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.821 -4.374 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.307 -5.222 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.565 -6.723 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.274 -6.929 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.692 -5.245 -2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.669 -5.779 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.041 -8.524 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.550 -7.479 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.735 -7.995 -1.230 1.00 0.00 H new ATOM 1020 N ARG A 73 -9.433 -3.710 -2.410 1.00 0.00 N ATOM 1021 CA ARG A 73 -10.340 -2.633 -2.054 1.00 0.00 C ATOM 1022 C ARG A 73 -10.915 -2.863 -0.655 1.00 0.00 C ATOM 1023 O ARG A 73 -10.806 -2.000 0.214 1.00 0.00 O ATOM 1024 CB ARG A 73 -11.489 -2.526 -3.059 1.00 0.00 C ATOM 1025 CG ARG A 73 -11.007 -1.930 -4.383 1.00 0.00 C ATOM 1026 CD ARG A 73 -11.921 -2.345 -5.537 1.00 0.00 C ATOM 1027 NE ARG A 73 -13.189 -1.584 -5.476 1.00 0.00 N ATOM 1028 CZ ARG A 73 -14.314 -1.947 -6.107 1.00 0.00 C ATOM 1029 NH1 ARG A 73 -14.336 -3.062 -6.849 1.00 0.00 N ATOM 1030 NH2 ARG A 73 -15.418 -1.195 -5.995 1.00 0.00 N ATOM 0 H ARG A 73 -9.492 -4.013 -3.382 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.772 -1.703 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.916 -3.513 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.283 -1.905 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.981 -0.843 -4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.988 -2.260 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.423 -2.163 -6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.126 -3.414 -5.483 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.208 -0.730 -4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.496 -3.635 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.192 -3.338 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.402 -0.346 -5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.274 -1.471 -6.475 1.00 0.00 H new ATOM 1044 N ASN A 74 -11.515 -4.031 -0.481 1.00 0.00 N ATOM 1045 CA ASN A 74 -12.107 -4.386 0.797 1.00 0.00 C ATOM 1046 C ASN A 74 -11.417 -5.637 1.345 1.00 0.00 C ATOM 1047 O ASN A 74 -12.049 -6.681 1.498 1.00 0.00 O ATOM 1048 CB ASN A 74 -13.598 -4.695 0.647 1.00 0.00 C ATOM 1049 CG ASN A 74 -14.305 -3.607 -0.164 1.00 0.00 C ATOM 1050 OD1 ASN A 74 -14.801 -3.834 -1.255 1.00 0.00 O ATOM 1051 ND2 ASN A 74 -14.324 -2.417 0.430 1.00 0.00 N ATOM 0 H ASN A 74 -11.604 -4.744 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.980 -3.540 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.725 -5.660 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.057 -4.775 1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.773 -1.625 -0.029 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.889 -2.297 1.345 1.00 0.00 H new ATOM 1058 N ALA A 75 -10.131 -5.490 1.624 1.00 0.00 N ATOM 1059 CA ALA A 75 -9.348 -6.595 2.151 1.00 0.00 C ATOM 1060 C ALA A 75 -8.845 -6.236 3.551 1.00 0.00 C ATOM 1061 O ALA A 75 -8.592 -5.068 3.843 1.00 0.00 O ATOM 1062 CB ALA A 75 -8.205 -6.917 1.186 1.00 0.00 C ATOM 0 H ALA A 75 -9.611 -4.622 1.495 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.961 -7.491 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.618 -7.746 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.616 -7.194 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.566 -6.041 1.073 1.00 0.00 H new ATOM 1068 N THR A 76 -8.717 -7.262 4.379 1.00 0.00 N ATOM 1069 CA THR A 76 -8.249 -7.070 5.741 1.00 0.00 C ATOM 1070 C THR A 76 -6.785 -6.624 5.745 1.00 0.00 C ATOM 1071 O THR A 76 -6.019 -6.990 4.855 1.00 0.00 O ATOM 1072 CB THR A 76 -8.490 -8.369 6.512 1.00 0.00 C ATOM 1073 OG1 THR A 76 -7.515 -9.268 5.990 1.00 0.00 O ATOM 1074 CG2 THR A 76 -9.827 -9.022 6.156 1.00 0.00 C ATOM 0 H THR A 76 -8.929 -8.229 4.133 1.00 0.00 H new ATOM 0 HA THR A 76 -8.800 -6.272 6.239 1.00 0.00 H new ATOM 0 HB THR A 76 -8.459 -8.167 7.583 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.599 -10.136 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.948 -9.940 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.641 -8.336 6.391 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.846 -9.255 5.091 1.00 0.00 H new ATOM 1082 N HIS A 77 -6.441 -5.840 6.756 1.00 0.00 N ATOM 1083 CA HIS A 77 -5.083 -5.341 6.887 1.00 0.00 C ATOM 1084 C HIS A 77 -4.091 -6.465 6.582 1.00 0.00 C ATOM 1085 O HIS A 77 -3.091 -6.247 5.900 1.00 0.00 O ATOM 1086 CB HIS A 77 -4.864 -4.716 8.267 1.00 0.00 C ATOM 1087 CG HIS A 77 -3.545 -3.997 8.413 1.00 0.00 C ATOM 1088 ND1 HIS A 77 -3.048 -3.583 9.637 1.00 0.00 N ATOM 1089 CD2 HIS A 77 -2.624 -3.625 7.478 1.00 0.00 C ATOM 1090 CE1 HIS A 77 -1.882 -2.988 9.436 1.00 0.00 C ATOM 1091 NE2 HIS A 77 -1.621 -3.015 8.097 1.00 0.00 N ATOM 0 H HIS A 77 -7.079 -5.538 7.492 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.913 -4.546 6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.673 -4.014 8.469 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.925 -5.499 9.023 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.503 -3.714 10.541 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -2.698 -3.798 6.414 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.249 -2.557 10.198 1.00 0.00 H new ATOM 1099 N GLU A 78 -4.402 -7.643 7.102 1.00 0.00 N ATOM 1100 CA GLU A 78 -3.551 -8.802 6.894 1.00 0.00 C ATOM 1101 C GLU A 78 -3.490 -9.155 5.406 1.00 0.00 C ATOM 1102 O GLU A 78 -2.406 -9.277 4.838 1.00 0.00 O ATOM 1103 CB GLU A 78 -4.036 -9.994 7.721 1.00 0.00 C ATOM 1104 CG GLU A 78 -2.862 -10.875 8.153 1.00 0.00 C ATOM 1105 CD GLU A 78 -3.347 -12.067 8.981 1.00 0.00 C ATOM 1106 OE1 GLU A 78 -3.694 -13.091 8.354 1.00 0.00 O ATOM 1107 OE2 GLU A 78 -3.359 -11.927 10.223 1.00 0.00 O ATOM 0 H GLU A 78 -5.232 -7.820 7.667 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.544 -8.555 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.571 -9.637 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.742 -10.584 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.328 -11.232 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.156 -10.285 8.737 1.00 0.00 H new ATOM 1114 N GLN A 79 -4.667 -9.309 4.818 1.00 0.00 N ATOM 1115 CA GLN A 79 -4.760 -9.645 3.408 1.00 0.00 C ATOM 1116 C GLN A 79 -3.847 -8.736 2.583 1.00 0.00 C ATOM 1117 O GLN A 79 -3.066 -9.215 1.762 1.00 0.00 O ATOM 1118 CB GLN A 79 -6.207 -9.558 2.918 1.00 0.00 C ATOM 1119 CG GLN A 79 -6.965 -10.854 3.213 1.00 0.00 C ATOM 1120 CD GLN A 79 -8.447 -10.715 2.860 1.00 0.00 C ATOM 1121 OE1 GLN A 79 -8.830 -10.008 1.942 1.00 0.00 O ATOM 1122 NE2 GLN A 79 -9.258 -11.426 3.639 1.00 0.00 N ATOM 0 H GLN A 79 -5.564 -9.207 5.292 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.428 -10.675 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.709 -8.721 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.220 -9.361 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.527 -11.673 2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.861 -11.108 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.872 -11.998 4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.266 -11.400 3.485 1.00 0.00 H new ATOM 1131 N ALA A 80 -3.974 -7.441 2.831 1.00 0.00 N ATOM 1132 CA ALA A 80 -3.170 -6.461 2.122 1.00 0.00 C ATOM 1133 C ALA A 80 -1.687 -6.751 2.367 1.00 0.00 C ATOM 1134 O ALA A 80 -0.838 -6.388 1.554 1.00 0.00 O ATOM 1135 CB ALA A 80 -3.570 -5.053 2.568 1.00 0.00 C ATOM 0 H ALA A 80 -4.622 -7.048 3.513 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.346 -6.525 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.967 -4.318 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.624 -4.887 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.405 -4.950 3.640 1.00 0.00 H new ATOM 1141 N ALA A 81 -1.422 -7.402 3.489 1.00 0.00 N ATOM 1142 CA ALA A 81 -0.057 -7.745 3.851 1.00 0.00 C ATOM 1143 C ALA A 81 0.332 -9.058 3.169 1.00 0.00 C ATOM 1144 O ALA A 81 1.404 -9.158 2.574 1.00 0.00 O ATOM 1145 CB ALA A 81 0.064 -7.822 5.374 1.00 0.00 C ATOM 0 H ALA A 81 -2.129 -7.701 4.160 1.00 0.00 H new ATOM 0 HA ALA A 81 0.635 -6.976 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.088 -8.079 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.195 -6.857 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.615 -8.585 5.755 1.00 0.00 H new ATOM 1151 N ALA A 82 -0.560 -10.031 3.277 1.00 0.00 N ATOM 1152 CA ALA A 82 -0.323 -11.334 2.677 1.00 0.00 C ATOM 1153 C ALA A 82 -0.107 -11.166 1.172 1.00 0.00 C ATOM 1154 O ALA A 82 0.606 -11.953 0.552 1.00 0.00 O ATOM 1155 CB ALA A 82 -1.494 -12.264 2.999 1.00 0.00 C ATOM 0 H ALA A 82 -1.448 -9.944 3.771 1.00 0.00 H new ATOM 0 HA ALA A 82 0.577 -11.789 3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.317 -13.241 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.586 -12.373 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.415 -11.842 2.598 1.00 0.00 H new ATOM 1161 N ALA A 83 -0.737 -10.135 0.628 1.00 0.00 N ATOM 1162 CA ALA A 83 -0.623 -9.854 -0.793 1.00 0.00 C ATOM 1163 C ALA A 83 0.768 -9.289 -1.087 1.00 0.00 C ATOM 1164 O ALA A 83 1.191 -9.242 -2.241 1.00 0.00 O ATOM 1165 CB ALA A 83 -1.741 -8.899 -1.216 1.00 0.00 C ATOM 0 H ALA A 83 -1.328 -9.484 1.146 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.737 -10.768 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.655 -8.688 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.708 -9.359 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.657 -7.969 -0.654 1.00 0.00 H new ATOM 1171 N LEU A 84 1.441 -8.876 -0.023 1.00 0.00 N ATOM 1172 CA LEU A 84 2.775 -8.317 -0.153 1.00 0.00 C ATOM 1173 C LEU A 84 3.810 -9.429 0.030 1.00 0.00 C ATOM 1174 O LEU A 84 4.862 -9.414 -0.607 1.00 0.00 O ATOM 1175 CB LEU A 84 2.960 -7.142 0.810 1.00 0.00 C ATOM 1176 CG LEU A 84 2.320 -5.819 0.384 1.00 0.00 C ATOM 1177 CD1 LEU A 84 2.390 -4.787 1.511 1.00 0.00 C ATOM 1178 CD2 LEU A 84 2.948 -5.298 -0.910 1.00 0.00 C ATOM 0 H LEU A 84 1.087 -8.918 0.933 1.00 0.00 H new ATOM 0 HA LEU A 84 2.920 -7.907 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.551 -7.425 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.028 -6.978 0.950 1.00 0.00 H new ATOM 0 HG LEU A 84 1.265 -6.001 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.928 -3.856 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.860 -5.166 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.432 -4.602 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.475 -4.357 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.015 -5.137 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.802 -6.029 -1.705 1.00 0.00 H new ATOM 1190 N LYS A 85 3.475 -10.368 0.903 1.00 0.00 N ATOM 1191 CA LYS A 85 4.361 -11.486 1.178 1.00 0.00 C ATOM 1192 C LYS A 85 4.356 -12.440 -0.018 1.00 0.00 C ATOM 1193 O LYS A 85 5.310 -13.190 -0.222 1.00 0.00 O ATOM 1194 CB LYS A 85 3.985 -12.155 2.501 1.00 0.00 C ATOM 1195 CG LYS A 85 4.604 -11.413 3.687 1.00 0.00 C ATOM 1196 CD LYS A 85 3.680 -10.297 4.178 1.00 0.00 C ATOM 1197 CE LYS A 85 4.178 -8.927 3.712 1.00 0.00 C ATOM 1198 NZ LYS A 85 3.730 -7.868 4.644 1.00 0.00 N ATOM 0 H LYS A 85 2.601 -10.377 1.429 1.00 0.00 H new ATOM 0 HA LYS A 85 5.386 -11.138 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.900 -12.176 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.325 -13.191 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.796 -12.114 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.566 -10.992 3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.670 -10.466 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.626 -10.317 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.266 -8.930 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.804 -8.719 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.048 -7.247 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.277 -8.304 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.550 -7.308 4.953 1.00 0.00 H new ATOM 1212 N ARG A 86 3.272 -12.381 -0.777 1.00 0.00 N ATOM 1213 CA ARG A 86 3.131 -13.231 -1.947 1.00 0.00 C ATOM 1214 C ARG A 86 3.710 -12.537 -3.181 1.00 0.00 C ATOM 1215 O ARG A 86 3.911 -13.169 -4.217 1.00 0.00 O ATOM 1216 CB ARG A 86 1.662 -13.573 -2.205 1.00 0.00 C ATOM 1217 CG ARG A 86 0.953 -12.430 -2.935 1.00 0.00 C ATOM 1218 CD ARG A 86 -0.443 -12.856 -3.394 1.00 0.00 C ATOM 1219 NE ARG A 86 -0.658 -12.451 -4.801 1.00 0.00 N ATOM 1220 CZ ARG A 86 0.111 -12.850 -5.824 1.00 0.00 C ATOM 1221 NH1 ARG A 86 1.151 -13.666 -5.602 1.00 0.00 N ATOM 1222 NH2 ARG A 86 -0.159 -12.433 -7.068 1.00 0.00 N ATOM 0 H ARG A 86 2.483 -11.758 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 86 3.679 -14.153 -1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.596 -14.485 -2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.159 -13.772 -1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.875 -11.565 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.545 -12.121 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.553 -13.936 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.200 -12.400 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.440 -11.829 -5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.357 -13.983 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.736 -13.970 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.950 -11.812 -7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.426 -12.737 -7.846 1.00 0.00 H new ATOM 1236 N ALA A 87 3.963 -11.245 -3.030 1.00 0.00 N ATOM 1237 CA ALA A 87 4.515 -10.457 -4.119 1.00 0.00 C ATOM 1238 C ALA A 87 5.935 -10.939 -4.421 1.00 0.00 C ATOM 1239 O ALA A 87 6.195 -12.141 -4.445 1.00 0.00 O ATOM 1240 CB ALA A 87 4.469 -8.973 -3.751 1.00 0.00 C ATOM 0 H ALA A 87 3.796 -10.724 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 87 3.923 -10.586 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.883 -8.382 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.436 -8.674 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.055 -8.804 -2.848 1.00 0.00 H new ATOM 1246 N GLY A 88 6.818 -9.976 -4.645 1.00 0.00 N ATOM 1247 CA GLY A 88 8.205 -10.287 -4.944 1.00 0.00 C ATOM 1248 C GLY A 88 9.043 -9.011 -5.047 1.00 0.00 C ATOM 1249 O GLY A 88 8.739 -8.011 -4.398 1.00 0.00 O ATOM 0 H GLY A 88 6.599 -8.980 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.613 -10.932 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.263 -10.841 -5.881 1.00 0.00 H new ATOM 1253 N GLN A 89 10.080 -9.087 -5.867 1.00 0.00 N ATOM 1254 CA GLN A 89 10.964 -7.950 -6.063 1.00 0.00 C ATOM 1255 C GLN A 89 10.203 -6.790 -6.707 1.00 0.00 C ATOM 1256 O GLN A 89 10.237 -5.667 -6.207 1.00 0.00 O ATOM 1257 CB GLN A 89 12.182 -8.340 -6.903 1.00 0.00 C ATOM 1258 CG GLN A 89 13.332 -8.816 -6.014 1.00 0.00 C ATOM 1259 CD GLN A 89 14.583 -9.108 -6.845 1.00 0.00 C ATOM 1260 OE1 GLN A 89 15.456 -8.273 -7.015 1.00 0.00 O ATOM 1261 NE2 GLN A 89 14.621 -10.337 -7.352 1.00 0.00 N ATOM 0 H GLN A 89 10.328 -9.918 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 89 11.326 -7.624 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.908 -9.130 -7.603 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.507 -7.486 -7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.557 -8.055 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.032 -9.714 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.856 -10.987 -7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.415 -10.629 -7.922 1.00 0.00 H new ATOM 1270 N SER A 90 9.533 -7.102 -7.807 1.00 0.00 N ATOM 1271 CA SER A 90 8.764 -6.099 -8.524 1.00 0.00 C ATOM 1272 C SER A 90 7.288 -6.193 -8.134 1.00 0.00 C ATOM 1273 O SER A 90 6.543 -6.992 -8.698 1.00 0.00 O ATOM 1274 CB SER A 90 8.924 -6.261 -10.037 1.00 0.00 C ATOM 1275 OG SER A 90 9.835 -7.306 -10.369 1.00 0.00 O ATOM 0 H SER A 90 9.507 -8.035 -8.219 1.00 0.00 H new ATOM 0 HA SER A 90 9.144 -5.115 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.952 -6.472 -10.484 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.276 -5.323 -10.467 1.00 0.00 H new ATOM 0 HG SER A 90 9.908 -7.379 -11.344 1.00 0.00 H new ATOM 1281 N VAL A 91 6.910 -5.365 -7.171 1.00 0.00 N ATOM 1282 CA VAL A 91 5.536 -5.345 -6.698 1.00 0.00 C ATOM 1283 C VAL A 91 4.869 -4.040 -7.138 1.00 0.00 C ATOM 1284 O VAL A 91 5.315 -2.955 -6.767 1.00 0.00 O ATOM 1285 CB VAL A 91 5.501 -5.553 -5.183 1.00 0.00 C ATOM 1286 CG1 VAL A 91 4.084 -5.878 -4.707 1.00 0.00 C ATOM 1287 CG2 VAL A 91 6.486 -6.643 -4.756 1.00 0.00 C ATOM 0 H VAL A 91 7.531 -4.703 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 91 4.968 -6.165 -7.138 1.00 0.00 H new ATOM 0 HB VAL A 91 5.808 -4.620 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.087 -6.021 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.417 -5.055 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.737 -6.790 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.441 -6.771 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.223 -7.582 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.496 -6.354 -5.045 1.00 0.00 H new ATOM 1297 N THR A 92 3.812 -4.189 -7.922 1.00 0.00 N ATOM 1298 CA THR A 92 3.079 -3.036 -8.416 1.00 0.00 C ATOM 1299 C THR A 92 2.001 -2.619 -7.414 1.00 0.00 C ATOM 1300 O THR A 92 0.931 -3.224 -7.360 1.00 0.00 O ATOM 1301 CB THR A 92 2.522 -3.386 -9.798 1.00 0.00 C ATOM 1302 OG1 THR A 92 3.654 -3.307 -10.659 1.00 0.00 O ATOM 1303 CG2 THR A 92 1.570 -2.315 -10.334 1.00 0.00 C ATOM 0 H THR A 92 3.446 -5.091 -8.227 1.00 0.00 H new ATOM 0 HA THR A 92 3.731 -2.169 -8.523 1.00 0.00 H new ATOM 0 HB THR A 92 2.001 -4.342 -9.748 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.383 -3.521 -11.576 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.204 -2.613 -11.317 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.728 -2.202 -9.651 1.00 0.00 H new ATOM 0 HG23 THR A 92 2.099 -1.366 -10.416 1.00 0.00 H new ATOM 1311 N ILE A 93 2.320 -1.589 -6.645 1.00 0.00 N ATOM 1312 CA ILE A 93 1.392 -1.084 -5.647 1.00 0.00 C ATOM 1313 C ILE A 93 0.587 0.072 -6.244 1.00 0.00 C ATOM 1314 O ILE A 93 1.113 1.168 -6.429 1.00 0.00 O ATOM 1315 CB ILE A 93 2.135 -0.717 -4.361 1.00 0.00 C ATOM 1316 CG1 ILE A 93 2.799 -1.948 -3.741 1.00 0.00 C ATOM 1317 CG2 ILE A 93 1.205 -0.009 -3.373 1.00 0.00 C ATOM 1318 CD1 ILE A 93 4.247 -2.088 -4.217 1.00 0.00 C ATOM 0 H ILE A 93 3.208 -1.090 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 93 0.678 -1.858 -5.365 1.00 0.00 H new ATOM 0 HB ILE A 93 2.930 -0.015 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.776 -1.870 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.236 -2.843 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.758 0.241 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.820 0.904 -3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.374 -0.667 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.696 -2.971 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.265 -2.191 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.813 -1.203 -3.927 1.00 0.00 H new ATOM 1330 N VAL A 94 -0.676 -0.212 -6.528 1.00 0.00 N ATOM 1331 CA VAL A 94 -1.558 0.790 -7.100 1.00 0.00 C ATOM 1332 C VAL A 94 -2.417 1.400 -5.990 1.00 0.00 C ATOM 1333 O VAL A 94 -3.398 0.797 -5.557 1.00 0.00 O ATOM 1334 CB VAL A 94 -2.388 0.175 -8.228 1.00 0.00 C ATOM 1335 CG1 VAL A 94 -3.175 1.250 -8.980 1.00 0.00 C ATOM 1336 CG2 VAL A 94 -1.504 -0.627 -9.185 1.00 0.00 C ATOM 0 H VAL A 94 -1.109 -1.122 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.979 1.599 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.105 -0.512 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.756 0.785 -9.776 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.848 1.759 -8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.483 1.973 -9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.119 -1.053 -9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.752 0.030 -9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.010 -1.430 -8.638 1.00 0.00 H new ATOM 1346 N ALA A 95 -2.017 2.589 -5.562 1.00 0.00 N ATOM 1347 CA ALA A 95 -2.738 3.287 -4.511 1.00 0.00 C ATOM 1348 C ALA A 95 -3.093 4.695 -4.991 1.00 0.00 C ATOM 1349 O ALA A 95 -2.417 5.248 -5.857 1.00 0.00 O ATOM 1350 CB ALA A 95 -1.893 3.301 -3.235 1.00 0.00 C ATOM 0 H ALA A 95 -1.203 3.086 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.671 2.773 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.433 3.825 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.693 2.277 -2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.950 3.812 -3.429 1.00 0.00 H new ATOM 1356 N GLN A 96 -4.153 5.236 -4.407 1.00 0.00 N ATOM 1357 CA GLN A 96 -4.606 6.569 -4.764 1.00 0.00 C ATOM 1358 C GLN A 96 -4.684 7.455 -3.519 1.00 0.00 C ATOM 1359 O GLN A 96 -5.303 7.080 -2.524 1.00 0.00 O ATOM 1360 CB GLN A 96 -5.954 6.515 -5.485 1.00 0.00 C ATOM 1361 CG GLN A 96 -7.111 6.509 -4.483 1.00 0.00 C ATOM 1362 CD GLN A 96 -8.461 6.518 -5.204 1.00 0.00 C ATOM 1363 OE1 GLN A 96 -8.578 5.582 -6.142 1.00 0.00 O flip ATOM 1364 NE2 GLN A 96 -9.337 7.320 -4.926 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.711 4.774 -3.689 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.881 7.006 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.049 7.373 -6.151 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.002 5.621 -6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.041 5.627 -3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.037 7.380 -3.831 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.180 8.013 -4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.226 7.298 -5.426 1.00 0.00 H new ATOM 1373 N TYR A 97 -4.048 8.613 -3.615 1.00 0.00 N ATOM 1374 CA TYR A 97 -4.037 9.555 -2.508 1.00 0.00 C ATOM 1375 C TYR A 97 -5.457 9.825 -2.006 1.00 0.00 C ATOM 1376 O TYR A 97 -6.425 9.644 -2.742 1.00 0.00 O ATOM 1377 CB TYR A 97 -3.450 10.853 -3.065 1.00 0.00 C ATOM 1378 CG TYR A 97 -2.738 11.713 -2.019 1.00 0.00 C ATOM 1379 CD1 TYR A 97 -1.489 11.348 -1.559 1.00 0.00 C ATOM 1380 CD2 TYR A 97 -3.346 12.854 -1.534 1.00 0.00 C ATOM 1381 CE1 TYR A 97 -0.819 12.157 -0.574 1.00 0.00 C ATOM 1382 CE2 TYR A 97 -2.676 13.663 -0.550 1.00 0.00 C ATOM 1383 CZ TYR A 97 -1.446 13.275 -0.118 1.00 0.00 C ATOM 1384 OH TYR A 97 -0.813 14.040 0.812 1.00 0.00 O ATOM 0 H TYR A 97 -3.536 8.921 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.459 9.160 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.746 10.609 -3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -4.251 11.438 -3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.014 10.455 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -4.324 13.139 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.159 11.883 -0.206 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.140 14.558 -0.163 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.378 14.806 1.044 1.00 0.00 H new ATOM 1394 N ARG A 98 -5.536 10.254 -0.755 1.00 0.00 N ATOM 1395 CA ARG A 98 -6.821 10.552 -0.145 1.00 0.00 C ATOM 1396 C ARG A 98 -6.634 10.944 1.322 1.00 0.00 C ATOM 1397 O ARG A 98 -6.691 10.093 2.208 1.00 0.00 O ATOM 1398 CB ARG A 98 -7.762 9.348 -0.228 1.00 0.00 C ATOM 1399 CG ARG A 98 -8.924 9.626 -1.183 1.00 0.00 C ATOM 1400 CD ARG A 98 -10.268 9.490 -0.466 1.00 0.00 C ATOM 1401 NE ARG A 98 -11.353 10.027 -1.317 1.00 0.00 N ATOM 1402 CZ ARG A 98 -11.573 11.334 -1.518 1.00 0.00 C ATOM 1403 NH1 ARG A 98 -10.784 12.244 -0.931 1.00 0.00 N ATOM 1404 NH2 ARG A 98 -12.581 11.730 -2.307 1.00 0.00 N ATOM 0 H ARG A 98 -4.731 10.402 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.264 11.384 -0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.209 8.472 -0.568 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.149 9.115 0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.828 10.630 -1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.884 8.932 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.461 8.443 -0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.239 10.026 0.482 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.972 9.361 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.016 11.942 -0.331 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.951 13.239 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.181 11.037 -2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.748 12.724 -2.460 1.00 0.00 H new ATOM 1418 N PRO A 99 -6.408 12.268 1.539 1.00 0.00 N ATOM 1419 CA PRO A 99 -6.213 12.784 2.883 1.00 0.00 C ATOM 1420 C PRO A 99 -7.539 12.850 3.643 1.00 0.00 C ATOM 1421 O PRO A 99 -7.614 12.452 4.805 1.00 0.00 O ATOM 1422 CB PRO A 99 -5.569 14.147 2.692 1.00 0.00 C ATOM 1423 CG PRO A 99 -5.852 14.543 1.252 1.00 0.00 C ATOM 1424 CD PRO A 99 -6.334 13.305 0.514 1.00 0.00 C ATOM 0 HA PRO A 99 -5.578 12.141 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.985 14.877 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.496 14.102 2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.607 15.328 1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.953 14.942 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.306 13.474 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -5.645 13.026 -0.283 1.00 0.00 H new ATOM 1432 N GLU A 100 -8.553 13.355 2.957 1.00 0.00 N ATOM 1433 CA GLU A 100 -9.873 13.479 3.553 1.00 0.00 C ATOM 1434 C GLU A 100 -10.275 12.167 4.229 1.00 0.00 C ATOM 1435 O GLU A 100 -10.924 12.176 5.274 1.00 0.00 O ATOM 1436 CB GLU A 100 -10.909 13.897 2.508 1.00 0.00 C ATOM 1437 CG GLU A 100 -12.104 14.588 3.167 1.00 0.00 C ATOM 1438 CD GLU A 100 -13.131 15.025 2.120 1.00 0.00 C ATOM 1439 OE1 GLU A 100 -13.860 14.133 1.634 1.00 0.00 O ATOM 1440 OE2 GLU A 100 -13.165 16.240 1.830 1.00 0.00 O ATOM 0 H GLU A 100 -8.488 13.683 1.994 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.836 14.260 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.449 14.570 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.250 13.020 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.573 13.910 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.761 15.456 3.730 1.00 0.00 H new ATOM 1447 N GLU A 101 -9.872 11.069 3.605 1.00 0.00 N ATOM 1448 CA GLU A 101 -10.182 9.752 4.134 1.00 0.00 C ATOM 1449 C GLU A 101 -9.205 9.386 5.253 1.00 0.00 C ATOM 1450 O GLU A 101 -9.590 9.318 6.420 1.00 0.00 O ATOM 1451 CB GLU A 101 -10.165 8.698 3.025 1.00 0.00 C ATOM 1452 CG GLU A 101 -11.580 8.408 2.522 1.00 0.00 C ATOM 1453 CD GLU A 101 -12.282 7.385 3.418 1.00 0.00 C ATOM 1454 OE1 GLU A 101 -12.822 7.818 4.459 1.00 0.00 O ATOM 1455 OE2 GLU A 101 -12.261 6.193 3.043 1.00 0.00 O ATOM 0 H GLU A 101 -9.334 11.065 2.739 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.189 9.777 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.545 9.045 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.713 7.779 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.158 9.332 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.536 8.032 1.500 1.00 0.00 H new ATOM 1462 N TYR A 102 -7.961 9.160 4.859 1.00 0.00 N ATOM 1463 CA TYR A 102 -6.926 8.802 5.815 1.00 0.00 C ATOM 1464 C TYR A 102 -7.044 9.640 7.090 1.00 0.00 C ATOM 1465 O TYR A 102 -6.794 9.145 8.187 1.00 0.00 O ATOM 1466 CB TYR A 102 -5.594 9.119 5.132 1.00 0.00 C ATOM 1467 CG TYR A 102 -4.372 8.927 6.033 1.00 0.00 C ATOM 1468 CD1 TYR A 102 -3.823 7.671 6.191 1.00 0.00 C ATOM 1469 CD2 TYR A 102 -3.820 10.009 6.687 1.00 0.00 C ATOM 1470 CE1 TYR A 102 -2.673 7.490 7.038 1.00 0.00 C ATOM 1471 CE2 TYR A 102 -2.670 9.828 7.535 1.00 0.00 C ATOM 1472 CZ TYR A 102 -2.153 8.577 7.668 1.00 0.00 C ATOM 1473 OH TYR A 102 -1.067 8.406 8.469 1.00 0.00 O ATOM 0 H TYR A 102 -7.646 9.218 3.891 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.011 7.753 6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.488 8.484 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -5.614 10.150 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.256 6.824 5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.250 10.992 6.563 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.233 6.513 7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.228 10.666 8.053 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.529 7.658 8.136 1.00 0.00 H new ATOM 1483 N SER A 103 -7.426 10.895 6.902 1.00 0.00 N ATOM 1484 CA SER A 103 -7.580 11.806 8.023 1.00 0.00 C ATOM 1485 C SER A 103 -8.383 11.132 9.138 1.00 0.00 C ATOM 1486 O SER A 103 -8.164 11.405 10.317 1.00 0.00 O ATOM 1487 CB SER A 103 -8.262 13.104 7.588 1.00 0.00 C ATOM 1488 OG SER A 103 -9.614 12.890 7.189 1.00 0.00 O ATOM 0 H SER A 103 -7.633 11.302 5.990 1.00 0.00 H new ATOM 0 HA SER A 103 -6.588 12.057 8.399 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.236 13.820 8.409 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.706 13.546 6.761 1.00 0.00 H new ATOM 0 HG SER A 103 -9.650 12.167 6.528 1.00 0.00 H new ATOM 1494 N ARG A 104 -9.297 10.266 8.725 1.00 0.00 N ATOM 1495 CA ARG A 104 -10.134 9.552 9.674 1.00 0.00 C ATOM 1496 C ARG A 104 -9.269 8.727 10.629 1.00 0.00 C ATOM 1497 O ARG A 104 -9.679 8.438 11.751 1.00 0.00 O ATOM 1498 CB ARG A 104 -11.114 8.624 8.954 1.00 0.00 C ATOM 1499 CG ARG A 104 -10.419 7.340 8.497 1.00 0.00 C ATOM 1500 CD ARG A 104 -11.419 6.370 7.864 1.00 0.00 C ATOM 1501 NE ARG A 104 -11.439 5.098 8.621 1.00 0.00 N ATOM 1502 CZ ARG A 104 -12.429 4.198 8.551 1.00 0.00 C ATOM 1503 NH1 ARG A 104 -13.486 4.425 7.759 1.00 0.00 N ATOM 1504 NH2 ARG A 104 -12.363 3.072 9.274 1.00 0.00 N ATOM 0 H ARG A 104 -9.476 10.043 7.746 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.700 10.292 10.239 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.942 8.377 9.619 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.540 9.138 8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.637 7.582 7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.933 6.863 9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.414 6.814 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.147 6.181 6.826 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.650 4.894 9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.537 5.283 7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.240 3.740 7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.559 2.900 9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.117 2.387 9.221 1.00 0.00 H new ATOM 1518 N PHE A 105 -8.087 8.371 10.147 1.00 0.00 N ATOM 1519 CA PHE A 105 -7.160 7.585 10.944 1.00 0.00 C ATOM 1520 C PHE A 105 -6.168 8.487 11.680 1.00 0.00 C ATOM 1521 O PHE A 105 -5.975 8.349 12.887 1.00 0.00 O ATOM 1522 CB PHE A 105 -6.390 6.684 9.975 1.00 0.00 C ATOM 1523 CG PHE A 105 -7.112 5.379 9.633 1.00 0.00 C ATOM 1524 CD1 PHE A 105 -7.700 4.649 10.618 1.00 0.00 C ATOM 1525 CD2 PHE A 105 -7.164 4.949 8.344 1.00 0.00 C ATOM 1526 CE1 PHE A 105 -8.370 3.438 10.300 1.00 0.00 C ATOM 1527 CE2 PHE A 105 -7.833 3.738 8.026 1.00 0.00 C ATOM 1528 CZ PHE A 105 -8.422 3.007 9.011 1.00 0.00 C ATOM 0 H PHE A 105 -7.750 8.612 9.215 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.707 7.008 11.690 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.202 7.235 9.054 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -5.419 6.447 10.409 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.657 4.990 11.642 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.696 5.529 7.562 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.838 2.859 11.082 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.874 3.397 7.002 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.930 2.085 8.769 1.00 0.00 H new