USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 776 SER OG : rot -82:sc= 0.847 USER MOD Set 1.2: A 779 GLN : amide:sc= 0.952 K(o=1.8,f=-0.074!) USER MOD Set 2.1: A 724 ASN : amide:sc= 0 X(o=0.065,f=0.037) USER MOD Set 2.2: A 725 THR OG1 : rot 76:sc= 0.0646 USER MOD Single : A 722 TYR OH : rot -121:sc= 0.558 USER MOD Single : A 726 ASN : amide:sc= 0.951 K(o=0.95,f=-4.7!) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.18) USER MOD Single : A 745 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.14) USER MOD Single : A 749 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.4!) USER MOD Single : A 750 SER OG : rot 89:sc= 1.2 USER MOD Single : A 754 HIS : no HD1:sc= -0.699 K(o=-0.7,f=-1.4) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 761 GLN :FLIP amide:sc= -2.9! C(o=-4.1!,f=-2.9!) USER MOD Single : A 763 LYS NZ :NH3+ -164:sc= 1.16 (180deg=0.984) USER MOD Single : A 773 CYS SG : rot 46:sc= -0.0612 USER MOD Single : A 775 HIS : no HE2:sc= -0.397 K(o=-0.4,f=-2) USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 LYS NZ :NH3+ 162:sc= -0.0312 (180deg=-0.333) USER MOD Single : A 781 LYS NZ :NH3+ -144:sc= -1.65! (180deg=-4.08!) USER MOD Single : A 782 GLN :FLIP amide:sc= -0.174 F(o=-1,f=-0.17) USER MOD Single : A 796 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.329 14.738 7.447 1.00 10.44 N ATOM 148 CA ILE A 716 1.289 13.654 7.272 1.00 43.44 C ATOM 149 C ILE A 716 1.324 12.755 8.505 1.00 73.31 C ATOM 150 O ILE A 716 1.436 11.532 8.393 1.00 63.04 O ATOM 151 CB ILE A 716 2.697 14.206 6.968 1.00 23.02 C ATOM 152 CG1 ILE A 716 2.663 15.029 5.678 1.00 34.41 C ATOM 153 CG2 ILE A 716 3.716 13.083 6.860 1.00 72.14 C ATOM 154 CD1 ILE A 716 2.115 14.269 4.484 1.00 45.23 C ATOM 0 HA ILE A 716 0.965 13.057 6.420 1.00 43.44 H new ATOM 0 HB ILE A 716 3.002 14.849 7.793 1.00 23.02 H new ATOM 0 HG12 ILE A 716 2.055 15.919 5.841 1.00 34.41 H new ATOM 0 HG13 ILE A 716 3.672 15.370 5.448 1.00 34.41 H new ATOM 0 HG21 ILE A 716 4.699 13.503 6.645 1.00 72.14 H new ATOM 0 HG22 ILE A 716 3.754 12.534 7.801 1.00 72.14 H new ATOM 0 HG23 ILE A 716 3.427 12.406 6.056 1.00 72.14 H new ATOM 0 HD11 ILE A 716 2.121 14.916 3.607 1.00 45.23 H new ATOM 0 HD12 ILE A 716 2.736 13.394 4.294 1.00 45.23 H new ATOM 0 HD13 ILE A 716 1.094 13.951 4.693 1.00 45.23 H new ATOM 166 N GLY A 717 1.190 13.367 9.676 1.00 33.23 N ATOM 167 CA GLY A 717 1.117 12.609 10.912 1.00 41.55 C ATOM 168 C GLY A 717 -0.071 11.665 10.931 1.00 73.33 C ATOM 169 O GLY A 717 -0.050 10.630 11.596 1.00 11.00 O ATOM 0 H GLY A 717 1.130 14.379 9.792 1.00 33.23 H new ATOM 0 HA2 GLY A 717 2.036 12.038 11.042 1.00 41.55 H new ATOM 0 HA3 GLY A 717 1.047 13.296 11.755 1.00 41.55 H new ATOM 173 N GLU A 718 -1.104 12.016 10.172 1.00 24.03 N ATOM 174 CA GLU A 718 -2.291 11.184 10.064 1.00 64.43 C ATOM 175 C GLU A 718 -1.975 9.897 9.316 1.00 42.30 C ATOM 176 O GLU A 718 -2.518 8.850 9.627 1.00 13.43 O ATOM 177 CB GLU A 718 -3.414 11.944 9.362 1.00 13.21 C ATOM 178 CG GLU A 718 -3.905 13.154 10.135 1.00 4.44 C ATOM 179 CD GLU A 718 -4.749 12.781 11.334 1.00 61.22 C ATOM 180 OE1 GLU A 718 -4.183 12.483 12.405 1.00 20.42 O ATOM 181 OE2 GLU A 718 -5.987 12.787 11.211 1.00 64.22 O ATOM 0 H GLU A 718 -1.140 12.874 9.622 1.00 24.03 H new ATOM 0 HA GLU A 718 -2.622 10.927 11.070 1.00 64.43 H new ATOM 0 HB2 GLU A 718 -3.065 12.267 8.381 1.00 13.21 H new ATOM 0 HB3 GLU A 718 -4.251 11.266 9.195 1.00 13.21 H new ATOM 0 HG2 GLU A 718 -3.048 13.739 10.468 1.00 4.44 H new ATOM 0 HG3 GLU A 718 -4.488 13.792 9.471 1.00 4.44 H new ATOM 188 N LEU A 719 -1.082 9.963 8.341 1.00 63.31 N ATOM 189 CA LEU A 719 -0.694 8.762 7.609 1.00 73.01 C ATOM 190 C LEU A 719 0.105 7.833 8.520 1.00 44.54 C ATOM 191 O LEU A 719 0.063 6.611 8.376 1.00 15.11 O ATOM 192 CB LEU A 719 0.125 9.095 6.351 1.00 2.42 C ATOM 193 CG LEU A 719 -0.645 9.752 5.195 1.00 25.22 C ATOM 194 CD1 LEU A 719 -1.981 9.062 4.974 1.00 44.04 C ATOM 195 CD2 LEU A 719 -0.837 11.239 5.438 1.00 0.41 C ATOM 0 H LEU A 719 -0.617 10.819 8.040 1.00 63.31 H new ATOM 0 HA LEU A 719 -1.607 8.263 7.285 1.00 73.01 H new ATOM 0 HB2 LEU A 719 0.941 9.757 6.639 1.00 2.42 H new ATOM 0 HB3 LEU A 719 0.577 8.174 5.982 1.00 2.42 H new ATOM 0 HG LEU A 719 -0.049 9.637 4.289 1.00 25.22 H new ATOM 0 HD11 LEU A 719 -2.508 9.545 4.151 1.00 44.04 H new ATOM 0 HD12 LEU A 719 -1.813 8.013 4.732 1.00 44.04 H new ATOM 0 HD13 LEU A 719 -2.582 9.133 5.881 1.00 44.04 H new ATOM 0 HD21 LEU A 719 -1.385 11.676 4.603 1.00 0.41 H new ATOM 0 HD22 LEU A 719 -1.400 11.387 6.359 1.00 0.41 H new ATOM 0 HD23 LEU A 719 0.136 11.722 5.526 1.00 0.41 H new ATOM 207 N VAL A 720 0.806 8.426 9.481 1.00 15.13 N ATOM 208 CA VAL A 720 1.605 7.665 10.430 1.00 15.23 C ATOM 209 C VAL A 720 0.710 6.834 11.350 1.00 30.53 C ATOM 210 O VAL A 720 1.007 5.672 11.640 1.00 24.22 O ATOM 211 CB VAL A 720 2.499 8.591 11.285 1.00 74.43 C ATOM 212 CG1 VAL A 720 3.360 7.784 12.246 1.00 31.31 C ATOM 213 CG2 VAL A 720 3.367 9.472 10.400 1.00 13.12 C ATOM 0 H VAL A 720 0.836 9.436 9.622 1.00 15.13 H new ATOM 0 HA VAL A 720 2.245 6.999 9.851 1.00 15.23 H new ATOM 0 HB VAL A 720 1.846 9.235 11.874 1.00 74.43 H new ATOM 0 HG11 VAL A 720 3.979 8.460 12.835 1.00 31.31 H new ATOM 0 HG12 VAL A 720 2.719 7.206 12.912 1.00 31.31 H new ATOM 0 HG13 VAL A 720 4.000 7.107 11.680 1.00 31.31 H new ATOM 0 HG21 VAL A 720 3.988 10.115 11.024 1.00 13.12 H new ATOM 0 HG22 VAL A 720 4.005 8.845 9.777 1.00 13.12 H new ATOM 0 HG23 VAL A 720 2.731 10.088 9.764 1.00 13.12 H new ATOM 223 N ARG A 721 -0.398 7.425 11.789 1.00 1.11 N ATOM 224 CA ARG A 721 -1.334 6.729 12.670 1.00 15.13 C ATOM 225 C ARG A 721 -1.963 5.540 11.941 1.00 42.35 C ATOM 226 O ARG A 721 -2.298 4.529 12.556 1.00 51.13 O ATOM 227 CB ARG A 721 -2.420 7.683 13.191 1.00 32.11 C ATOM 228 CG ARG A 721 -3.467 8.058 12.160 1.00 42.24 C ATOM 229 CD ARG A 721 -4.317 9.234 12.610 1.00 53.53 C ATOM 230 NE ARG A 721 -5.217 8.889 13.706 1.00 63.01 N ATOM 231 CZ ARG A 721 -6.111 9.733 14.222 1.00 65.01 C ATOM 232 NH1 ARG A 721 -6.174 10.989 13.791 1.00 0.54 N ATOM 233 NH2 ARG A 721 -6.930 9.327 15.183 1.00 1.12 N ATOM 0 H ARG A 721 -0.670 8.379 11.551 1.00 1.11 H new ATOM 0 HA ARG A 721 -0.779 6.357 13.531 1.00 15.13 H new ATOM 0 HB2 ARG A 721 -2.916 7.219 14.044 1.00 32.11 H new ATOM 0 HB3 ARG A 721 -1.944 8.593 13.556 1.00 32.11 H new ATOM 0 HG2 ARG A 721 -2.976 8.305 11.219 1.00 42.24 H new ATOM 0 HG3 ARG A 721 -4.110 7.199 11.968 1.00 42.24 H new ATOM 0 HD2 ARG A 721 -3.665 10.050 12.923 1.00 53.53 H new ATOM 0 HD3 ARG A 721 -4.902 9.599 11.766 1.00 53.53 H new ATOM 0 HE ARG A 721 -5.159 7.950 14.099 1.00 63.01 H new ATOM 0 HH11 ARG A 721 -5.537 11.311 13.062 1.00 0.54 H new ATOM 0 HH12 ARG A 721 -6.860 11.631 14.189 1.00 0.54 H new ATOM 0 HH21 ARG A 721 -6.876 8.369 15.528 1.00 1.12 H new ATOM 0 HH22 ARG A 721 -7.614 9.973 15.577 1.00 1.12 H new ATOM 247 N TYR A 722 -2.098 5.660 10.622 1.00 61.23 N ATOM 248 CA TYR A 722 -2.624 4.567 9.818 1.00 73.42 C ATOM 249 C TYR A 722 -1.610 3.440 9.715 1.00 1.35 C ATOM 250 O TYR A 722 -1.979 2.275 9.711 1.00 40.55 O ATOM 251 CB TYR A 722 -3.031 5.047 8.425 1.00 14.00 C ATOM 252 CG TYR A 722 -4.317 5.838 8.423 1.00 22.23 C ATOM 253 CD1 TYR A 722 -5.536 5.215 8.656 1.00 44.12 C ATOM 254 CD2 TYR A 722 -4.313 7.201 8.185 1.00 72.32 C ATOM 255 CE1 TYR A 722 -6.713 5.933 8.655 1.00 10.44 C ATOM 256 CE2 TYR A 722 -5.484 7.929 8.183 1.00 44.40 C ATOM 257 CZ TYR A 722 -6.684 7.291 8.419 1.00 51.25 C ATOM 258 OH TYR A 722 -7.860 8.010 8.425 1.00 41.33 O ATOM 0 H TYR A 722 -1.852 6.497 10.094 1.00 61.23 H new ATOM 0 HA TYR A 722 -3.516 4.189 10.317 1.00 73.42 H new ATOM 0 HB2 TYR A 722 -2.232 5.663 8.012 1.00 14.00 H new ATOM 0 HB3 TYR A 722 -3.141 4.184 7.768 1.00 14.00 H new ATOM 0 HD1 TYR A 722 -5.562 4.151 8.841 1.00 44.12 H new ATOM 0 HD2 TYR A 722 -3.376 7.704 7.997 1.00 72.32 H new ATOM 0 HE1 TYR A 722 -7.653 5.434 8.838 1.00 10.44 H new ATOM 0 HE2 TYR A 722 -5.462 8.993 7.998 1.00 44.40 H new ATOM 0 HH TYR A 722 -7.980 8.447 7.556 1.00 41.33 H new ATOM 268 N LEU A 723 -0.331 3.790 9.654 1.00 72.33 N ATOM 269 CA LEU A 723 0.732 2.788 9.653 1.00 73.34 C ATOM 270 C LEU A 723 0.620 1.893 10.882 1.00 52.34 C ATOM 271 O LEU A 723 0.986 0.715 10.849 1.00 64.04 O ATOM 272 CB LEU A 723 2.104 3.461 9.615 1.00 71.12 C ATOM 273 CG LEU A 723 2.466 4.110 8.282 1.00 23.32 C ATOM 274 CD1 LEU A 723 3.757 4.898 8.402 1.00 31.51 C ATOM 275 CD2 LEU A 723 2.592 3.051 7.202 1.00 44.41 C ATOM 0 H LEU A 723 -0.004 4.755 9.605 1.00 72.33 H new ATOM 0 HA LEU A 723 0.622 2.173 8.760 1.00 73.34 H new ATOM 0 HB2 LEU A 723 2.141 4.222 10.395 1.00 71.12 H new ATOM 0 HB3 LEU A 723 2.864 2.718 9.859 1.00 71.12 H new ATOM 0 HG LEU A 723 1.669 4.801 8.006 1.00 23.32 H new ATOM 0 HD11 LEU A 723 3.997 5.352 7.441 1.00 31.51 H new ATOM 0 HD12 LEU A 723 3.638 5.679 9.153 1.00 31.51 H new ATOM 0 HD13 LEU A 723 4.565 4.229 8.699 1.00 31.51 H new ATOM 0 HD21 LEU A 723 2.850 3.526 6.255 1.00 44.41 H new ATOM 0 HD22 LEU A 723 3.372 2.342 7.477 1.00 44.41 H new ATOM 0 HD23 LEU A 723 1.644 2.524 7.097 1.00 44.41 H new ATOM 287 N ASN A 724 0.112 2.462 11.967 1.00 42.53 N ATOM 288 CA ASN A 724 -0.124 1.704 13.189 1.00 53.20 C ATOM 289 C ASN A 724 -1.471 0.978 13.131 1.00 12.33 C ATOM 290 O ASN A 724 -1.534 -0.242 13.282 1.00 4.15 O ATOM 291 CB ASN A 724 -0.075 2.635 14.405 1.00 44.32 C ATOM 292 CG ASN A 724 -0.376 1.918 15.709 1.00 73.20 C ATOM 293 OD1 ASN A 724 -1.520 1.873 16.157 1.00 2.43 O ATOM 294 ND2 ASN A 724 0.649 1.347 16.323 1.00 62.13 N ATOM 0 H ASN A 724 -0.145 3.447 12.026 1.00 42.53 H new ATOM 0 HA ASN A 724 0.662 0.955 13.284 1.00 53.20 H new ATOM 0 HB2 ASN A 724 0.913 3.092 14.467 1.00 44.32 H new ATOM 0 HB3 ASN A 724 -0.793 3.444 14.267 1.00 44.32 H new ATOM 0 HD21 ASN A 724 0.504 0.847 17.200 1.00 62.13 H new ATOM 0 HD22 ASN A 724 1.583 1.407 15.919 1.00 62.13 H new ATOM 301 N THR A 725 -2.540 1.730 12.891 1.00 64.45 N ATOM 302 CA THR A 725 -3.888 1.173 12.888 1.00 63.00 C ATOM 303 C THR A 725 -4.175 0.362 11.618 1.00 10.13 C ATOM 304 O THR A 725 -4.223 -0.870 11.653 1.00 64.11 O ATOM 305 CB THR A 725 -4.940 2.292 13.032 1.00 61.11 C ATOM 306 OG1 THR A 725 -4.624 3.112 14.167 1.00 62.02 O ATOM 307 CG2 THR A 725 -6.339 1.715 13.197 1.00 21.45 C ATOM 0 H THR A 725 -2.499 2.730 12.695 1.00 64.45 H new ATOM 0 HA THR A 725 -3.952 0.499 13.742 1.00 63.00 H new ATOM 0 HB THR A 725 -4.921 2.893 12.123 1.00 61.11 H new ATOM 0 HG1 THR A 725 -3.875 3.703 13.945 1.00 62.02 H new ATOM 0 HG21 THR A 725 -7.058 2.528 13.296 1.00 21.45 H new ATOM 0 HG22 THR A 725 -6.590 1.113 12.324 1.00 21.45 H new ATOM 0 HG23 THR A 725 -6.372 1.090 14.090 1.00 21.45 H new ATOM 315 N ASN A 726 -4.354 1.052 10.498 1.00 51.44 N ATOM 316 CA ASN A 726 -4.719 0.396 9.247 1.00 64.22 C ATOM 317 C ASN A 726 -4.136 1.150 8.054 1.00 44.55 C ATOM 318 O ASN A 726 -4.666 2.184 7.640 1.00 52.43 O ATOM 319 CB ASN A 726 -6.245 0.300 9.126 1.00 25.34 C ATOM 320 CG ASN A 726 -6.691 -0.412 7.863 1.00 2.31 C ATOM 321 OD1 ASN A 726 -6.929 0.211 6.834 1.00 53.14 O ATOM 322 ND2 ASN A 726 -6.805 -1.723 7.929 1.00 52.43 N ATOM 0 H ASN A 726 -4.253 2.065 10.430 1.00 51.44 H new ATOM 0 HA ASN A 726 -4.304 -0.612 9.250 1.00 64.22 H new ATOM 0 HB2 ASN A 726 -6.641 -0.227 9.994 1.00 25.34 H new ATOM 0 HB3 ASN A 726 -6.670 1.304 9.141 1.00 25.34 H new ATOM 0 HD21 ASN A 726 -7.099 -2.251 7.108 1.00 52.43 H new ATOM 0 HD22 ASN A 726 -6.599 -2.210 8.801 1.00 52.43 H new ATOM 329 N PRO A 727 -3.016 0.650 7.505 1.00 41.14 N ATOM 330 CA PRO A 727 -2.300 1.310 6.404 1.00 4.13 C ATOM 331 C PRO A 727 -3.148 1.436 5.144 1.00 21.01 C ATOM 332 O PRO A 727 -3.115 2.463 4.463 1.00 41.54 O ATOM 333 CB PRO A 727 -1.097 0.393 6.145 1.00 32.55 C ATOM 334 CG PRO A 727 -1.450 -0.914 6.770 1.00 40.03 C ATOM 335 CD PRO A 727 -2.349 -0.593 7.928 1.00 55.44 C ATOM 0 HA PRO A 727 -2.025 2.332 6.665 1.00 4.13 H new ATOM 0 HB2 PRO A 727 -0.913 0.280 5.077 1.00 32.55 H new ATOM 0 HB3 PRO A 727 -0.188 0.805 6.584 1.00 32.55 H new ATOM 0 HG2 PRO A 727 -1.953 -1.565 6.055 1.00 40.03 H new ATOM 0 HG3 PRO A 727 -0.556 -1.440 7.105 1.00 40.03 H new ATOM 0 HD2 PRO A 727 -3.067 -1.392 8.113 1.00 55.44 H new ATOM 0 HD3 PRO A 727 -1.784 -0.453 8.849 1.00 55.44 H new ATOM 343 N VAL A 728 -3.911 0.389 4.848 1.00 25.14 N ATOM 344 CA VAL A 728 -4.720 0.342 3.636 1.00 22.11 C ATOM 345 C VAL A 728 -5.714 1.497 3.604 1.00 63.05 C ATOM 346 O VAL A 728 -5.820 2.212 2.606 1.00 71.44 O ATOM 347 CB VAL A 728 -5.484 -0.994 3.522 1.00 62.34 C ATOM 348 CG1 VAL A 728 -6.202 -1.093 2.185 1.00 72.01 C ATOM 349 CG2 VAL A 728 -4.541 -2.173 3.711 1.00 33.41 C ATOM 0 H VAL A 728 -3.986 -0.442 5.434 1.00 25.14 H new ATOM 0 HA VAL A 728 -4.039 0.429 2.789 1.00 22.11 H new ATOM 0 HB VAL A 728 -6.232 -1.024 4.314 1.00 62.34 H new ATOM 0 HG11 VAL A 728 -6.734 -2.043 2.127 1.00 72.01 H new ATOM 0 HG12 VAL A 728 -6.914 -0.273 2.093 1.00 72.01 H new ATOM 0 HG13 VAL A 728 -5.474 -1.035 1.376 1.00 72.01 H new ATOM 0 HG21 VAL A 728 -5.101 -3.104 3.627 1.00 33.41 H new ATOM 0 HG22 VAL A 728 -3.766 -2.145 2.945 1.00 33.41 H new ATOM 0 HG23 VAL A 728 -4.079 -2.115 4.697 1.00 33.41 H new ATOM 359 N GLY A 729 -6.412 1.691 4.716 1.00 54.12 N ATOM 360 CA GLY A 729 -7.385 2.753 4.810 1.00 14.15 C ATOM 361 C GLY A 729 -6.737 4.117 4.734 1.00 35.24 C ATOM 362 O GLY A 729 -7.327 5.061 4.221 1.00 3.14 O ATOM 0 H GLY A 729 -6.317 1.125 5.559 1.00 54.12 H new ATOM 0 HA2 GLY A 729 -8.113 2.651 4.005 1.00 14.15 H new ATOM 0 HA3 GLY A 729 -7.932 2.662 5.748 1.00 14.15 H new ATOM 366 N GLY A 730 -5.508 4.209 5.230 1.00 63.23 N ATOM 367 CA GLY A 730 -4.780 5.462 5.188 1.00 64.44 C ATOM 368 C GLY A 730 -4.404 5.859 3.779 1.00 51.25 C ATOM 369 O GLY A 730 -4.516 7.026 3.405 1.00 34.22 O ATOM 0 H GLY A 730 -5.002 3.435 5.661 1.00 63.23 H new ATOM 0 HA2 GLY A 730 -5.388 6.248 5.635 1.00 64.44 H new ATOM 0 HA3 GLY A 730 -3.877 5.376 5.792 1.00 64.44 H new ATOM 373 N LEU A 731 -3.967 4.886 2.993 1.00 43.42 N ATOM 374 CA LEU A 731 -3.600 5.129 1.604 1.00 31.02 C ATOM 375 C LEU A 731 -4.841 5.549 0.813 1.00 65.43 C ATOM 376 O LEU A 731 -4.794 6.476 0.002 1.00 2.43 O ATOM 377 CB LEU A 731 -2.950 3.862 1.017 1.00 73.12 C ATOM 378 CG LEU A 731 -2.218 4.021 -0.325 1.00 51.20 C ATOM 379 CD1 LEU A 731 -3.195 4.020 -1.488 1.00 64.11 C ATOM 380 CD2 LEU A 731 -1.382 5.292 -0.333 1.00 63.03 C ATOM 0 H LEU A 731 -3.857 3.918 3.294 1.00 43.42 H new ATOM 0 HA LEU A 731 -2.874 5.939 1.541 1.00 31.02 H new ATOM 0 HB2 LEU A 731 -2.241 3.474 1.748 1.00 73.12 H new ATOM 0 HB3 LEU A 731 -3.726 3.107 0.894 1.00 73.12 H new ATOM 0 HG LEU A 731 -1.552 3.166 -0.444 1.00 51.20 H new ATOM 0 HD11 LEU A 731 -2.647 4.134 -2.423 1.00 64.11 H new ATOM 0 HD12 LEU A 731 -3.744 3.078 -1.501 1.00 64.11 H new ATOM 0 HD13 LEU A 731 -3.896 4.847 -1.375 1.00 64.11 H new ATOM 0 HD21 LEU A 731 -0.872 5.386 -1.292 1.00 63.03 H new ATOM 0 HD22 LEU A 731 -2.030 6.155 -0.181 1.00 63.03 H new ATOM 0 HD23 LEU A 731 -0.644 5.247 0.468 1.00 63.03 H new ATOM 392 N LEU A 732 -5.956 4.881 1.086 1.00 63.12 N ATOM 393 CA LEU A 732 -7.223 5.194 0.433 1.00 74.15 C ATOM 394 C LEU A 732 -7.751 6.556 0.886 1.00 2.14 C ATOM 395 O LEU A 732 -8.414 7.263 0.125 1.00 31.23 O ATOM 396 CB LEU A 732 -8.254 4.103 0.736 1.00 41.22 C ATOM 397 CG LEU A 732 -7.859 2.692 0.290 1.00 74.25 C ATOM 398 CD1 LEU A 732 -8.894 1.678 0.748 1.00 45.23 C ATOM 399 CD2 LEU A 732 -7.691 2.634 -1.221 1.00 40.02 C ATOM 0 H LEU A 732 -6.009 4.116 1.758 1.00 63.12 H new ATOM 0 HA LEU A 732 -7.051 5.236 -0.643 1.00 74.15 H new ATOM 0 HB2 LEU A 732 -8.440 4.089 1.810 1.00 41.22 H new ATOM 0 HB3 LEU A 732 -9.194 4.370 0.253 1.00 41.22 H new ATOM 0 HG LEU A 732 -6.904 2.443 0.752 1.00 74.25 H new ATOM 0 HD11 LEU A 732 -8.596 0.681 0.422 1.00 45.23 H new ATOM 0 HD12 LEU A 732 -8.966 1.697 1.835 1.00 45.23 H new ATOM 0 HD13 LEU A 732 -9.863 1.927 0.316 1.00 45.23 H new ATOM 0 HD21 LEU A 732 -7.410 1.623 -1.517 1.00 40.02 H new ATOM 0 HD22 LEU A 732 -8.631 2.906 -1.702 1.00 40.02 H new ATOM 0 HD23 LEU A 732 -6.911 3.332 -1.527 1.00 40.02 H new ATOM 411 N GLU A 733 -7.452 6.916 2.128 1.00 32.43 N ATOM 412 CA GLU A 733 -7.857 8.180 2.695 1.00 40.51 C ATOM 413 C GLU A 733 -7.027 9.320 2.103 1.00 43.01 C ATOM 414 O GLU A 733 -7.560 10.370 1.743 1.00 32.31 O ATOM 415 CB GLU A 733 -7.680 8.084 4.206 1.00 3.33 C ATOM 416 CG GLU A 733 -7.563 9.405 4.912 1.00 42.11 C ATOM 417 CD GLU A 733 -8.891 9.927 5.416 1.00 71.13 C ATOM 418 OE1 GLU A 733 -9.578 10.643 4.667 1.00 53.40 O ATOM 419 OE2 GLU A 733 -9.244 9.630 6.578 1.00 11.54 O ATOM 0 H GLU A 733 -6.917 6.329 2.768 1.00 32.43 H new ATOM 0 HA GLU A 733 -8.900 8.395 2.460 1.00 40.51 H new ATOM 0 HB2 GLU A 733 -8.527 7.539 4.623 1.00 3.33 H new ATOM 0 HB3 GLU A 733 -6.787 7.495 4.416 1.00 3.33 H new ATOM 0 HG2 GLU A 733 -6.877 9.302 5.753 1.00 42.11 H new ATOM 0 HG3 GLU A 733 -7.126 10.136 4.232 1.00 42.11 H new ATOM 426 N TYR A 734 -5.723 9.093 1.991 1.00 60.24 N ATOM 427 CA TYR A 734 -4.820 10.055 1.375 1.00 13.12 C ATOM 428 C TYR A 734 -5.288 10.405 -0.034 1.00 50.33 C ATOM 429 O TYR A 734 -5.350 11.577 -0.410 1.00 31.43 O ATOM 430 CB TYR A 734 -3.395 9.483 1.347 1.00 13.43 C ATOM 431 CG TYR A 734 -2.491 10.107 0.305 1.00 14.23 C ATOM 432 CD1 TYR A 734 -1.759 11.256 0.576 1.00 64.33 C ATOM 433 CD2 TYR A 734 -2.374 9.535 -0.956 1.00 73.43 C ATOM 434 CE1 TYR A 734 -0.936 11.815 -0.384 1.00 50.12 C ATOM 435 CE2 TYR A 734 -1.557 10.090 -1.918 1.00 63.15 C ATOM 436 CZ TYR A 734 -0.839 11.231 -1.628 1.00 44.34 C ATOM 437 OH TYR A 734 -0.024 11.792 -2.584 1.00 74.45 O ATOM 0 H TYR A 734 -5.266 8.243 2.322 1.00 60.24 H new ATOM 0 HA TYR A 734 -4.821 10.971 1.966 1.00 13.12 H new ATOM 0 HB2 TYR A 734 -2.943 9.617 2.330 1.00 13.43 H new ATOM 0 HB3 TYR A 734 -3.451 8.410 1.166 1.00 13.43 H new ATOM 0 HD1 TYR A 734 -1.834 11.719 1.549 1.00 64.33 H new ATOM 0 HD2 TYR A 734 -2.933 8.640 -1.187 1.00 73.43 H new ATOM 0 HE1 TYR A 734 -0.371 12.707 -0.159 1.00 50.12 H new ATOM 0 HE2 TYR A 734 -1.480 9.633 -2.894 1.00 63.15 H new ATOM 0 HH TYR A 734 -0.067 11.258 -3.405 1.00 74.45 H new ATOM 447 N ALA A 735 -5.632 9.380 -0.802 1.00 20.54 N ATOM 448 CA ALA A 735 -6.064 9.569 -2.175 1.00 73.32 C ATOM 449 C ALA A 735 -7.370 10.348 -2.236 1.00 1.21 C ATOM 450 O ALA A 735 -7.482 11.322 -2.976 1.00 31.24 O ATOM 451 CB ALA A 735 -6.211 8.225 -2.871 1.00 55.14 C ATOM 0 H ALA A 735 -5.619 8.408 -0.494 1.00 20.54 H new ATOM 0 HA ALA A 735 -5.302 10.151 -2.694 1.00 73.32 H new ATOM 0 HB1 ALA A 735 -6.535 8.382 -3.900 1.00 55.14 H new ATOM 0 HB2 ALA A 735 -5.252 7.707 -2.868 1.00 55.14 H new ATOM 0 HB3 ALA A 735 -6.951 7.622 -2.345 1.00 55.14 H new ATOM 457 N ARG A 736 -8.340 9.936 -1.428 1.00 10.43 N ATOM 458 CA ARG A 736 -9.670 10.538 -1.453 1.00 23.42 C ATOM 459 C ARG A 736 -9.618 12.005 -1.023 1.00 54.21 C ATOM 460 O ARG A 736 -10.351 12.847 -1.547 1.00 53.14 O ATOM 461 CB ARG A 736 -10.624 9.750 -0.547 1.00 32.22 C ATOM 462 CG ARG A 736 -10.539 10.121 0.926 1.00 21.33 C ATOM 463 CD ARG A 736 -11.537 9.347 1.766 1.00 31.24 C ATOM 464 NE ARG A 736 -11.582 9.845 3.138 1.00 3.43 N ATOM 465 CZ ARG A 736 -12.702 10.035 3.835 1.00 64.22 C ATOM 466 NH1 ARG A 736 -13.892 9.806 3.286 1.00 44.41 N ATOM 467 NH2 ARG A 736 -12.622 10.477 5.084 1.00 24.12 N ATOM 0 H ARG A 736 -8.231 9.186 -0.746 1.00 10.43 H new ATOM 0 HA ARG A 736 -10.042 10.500 -2.477 1.00 23.42 H new ATOM 0 HB2 ARG A 736 -11.646 9.908 -0.891 1.00 32.22 H new ATOM 0 HB3 ARG A 736 -10.412 8.686 -0.654 1.00 32.22 H new ATOM 0 HG2 ARG A 736 -9.530 9.927 1.291 1.00 21.33 H new ATOM 0 HG3 ARG A 736 -10.720 11.190 1.042 1.00 21.33 H new ATOM 0 HD2 ARG A 736 -12.528 9.423 1.318 1.00 31.24 H new ATOM 0 HD3 ARG A 736 -11.269 8.290 1.770 1.00 31.24 H new ATOM 0 HE ARG A 736 -10.696 10.062 3.594 1.00 3.43 H new ATOM 0 HH11 ARG A 736 -13.955 9.481 2.321 1.00 44.41 H new ATOM 0 HH12 ARG A 736 -14.742 9.955 3.830 1.00 44.41 H new ATOM 0 HH21 ARG A 736 -11.710 10.667 5.500 1.00 24.12 H new ATOM 0 HH22 ARG A 736 -13.472 10.626 5.628 1.00 24.12 H new ATOM 481 N SER A 737 -8.741 12.302 -0.076 1.00 2.30 N ATOM 482 CA SER A 737 -8.604 13.651 0.451 1.00 60.41 C ATOM 483 C SER A 737 -7.892 14.560 -0.548 1.00 54.14 C ATOM 484 O SER A 737 -8.213 15.743 -0.671 1.00 54.43 O ATOM 485 CB SER A 737 -7.836 13.608 1.777 1.00 75.31 C ATOM 486 OG SER A 737 -7.668 14.903 2.325 1.00 32.51 O ATOM 0 H SER A 737 -8.109 11.621 0.346 1.00 2.30 H new ATOM 0 HA SER A 737 -9.599 14.061 0.624 1.00 60.41 H new ATOM 0 HB2 SER A 737 -8.371 12.978 2.488 1.00 75.31 H new ATOM 0 HB3 SER A 737 -6.860 13.150 1.618 1.00 75.31 H new ATOM 0 HG SER A 737 -7.176 14.839 3.170 1.00 32.51 H new ATOM 492 N HIS A 738 -6.942 13.998 -1.278 1.00 22.33 N ATOM 493 CA HIS A 738 -6.115 14.788 -2.181 1.00 14.01 C ATOM 494 C HIS A 738 -6.736 14.897 -3.567 1.00 44.51 C ATOM 495 O HIS A 738 -6.580 15.910 -4.245 1.00 42.15 O ATOM 496 CB HIS A 738 -4.710 14.191 -2.266 1.00 14.41 C ATOM 497 CG HIS A 738 -3.881 14.452 -1.044 1.00 74.13 C ATOM 498 ND1 HIS A 738 -2.521 14.663 -1.079 1.00 52.14 N ATOM 499 CD2 HIS A 738 -4.234 14.527 0.261 1.00 71.00 C ATOM 500 CE1 HIS A 738 -2.077 14.854 0.149 1.00 54.32 C ATOM 501 NE2 HIS A 738 -3.096 14.779 0.980 1.00 44.32 N ATOM 0 H HIS A 738 -6.724 13.002 -1.265 1.00 22.33 H new ATOM 0 HA HIS A 738 -6.049 15.797 -1.775 1.00 14.01 H new ATOM 0 HB2 HIS A 738 -4.789 13.115 -2.421 1.00 14.41 H new ATOM 0 HB3 HIS A 738 -4.200 14.602 -3.137 1.00 14.41 H new ATOM 0 HD2 HIS A 738 -5.230 14.410 0.661 1.00 71.00 H new ATOM 0 HE1 HIS A 738 -1.050 15.041 0.426 1.00 54.32 H new ATOM 0 HE2 HIS A 738 -3.046 14.890 1.993 1.00 44.32 H new ATOM 510 N GLY A 739 -7.450 13.864 -3.978 1.00 61.32 N ATOM 511 CA GLY A 739 -8.060 13.869 -5.291 1.00 12.02 C ATOM 512 C GLY A 739 -7.434 12.844 -6.211 1.00 4.14 C ATOM 513 O GLY A 739 -7.497 12.970 -7.432 1.00 60.33 O ATOM 0 H GLY A 739 -7.619 13.022 -3.428 1.00 61.32 H new ATOM 0 HA2 GLY A 739 -9.127 13.667 -5.196 1.00 12.02 H new ATOM 0 HA3 GLY A 739 -7.962 14.861 -5.733 1.00 12.02 H new ATOM 517 N PHE A 740 -6.806 11.841 -5.620 1.00 13.33 N ATOM 518 CA PHE A 740 -6.220 10.749 -6.381 1.00 63.44 C ATOM 519 C PHE A 740 -7.143 9.539 -6.376 1.00 53.43 C ATOM 520 O PHE A 740 -8.129 9.499 -5.638 1.00 24.03 O ATOM 521 CB PHE A 740 -4.861 10.345 -5.801 1.00 61.11 C ATOM 522 CG PHE A 740 -3.796 11.394 -5.940 1.00 44.40 C ATOM 523 CD1 PHE A 740 -3.034 11.475 -7.091 1.00 55.22 C ATOM 524 CD2 PHE A 740 -3.555 12.293 -4.915 1.00 65.12 C ATOM 525 CE1 PHE A 740 -2.049 12.436 -7.220 1.00 23.54 C ATOM 526 CE2 PHE A 740 -2.571 13.255 -5.037 1.00 11.10 C ATOM 527 CZ PHE A 740 -1.817 13.326 -6.190 1.00 54.44 C ATOM 0 H PHE A 740 -6.688 11.760 -4.610 1.00 13.33 H new ATOM 0 HA PHE A 740 -6.082 11.097 -7.405 1.00 63.44 H new ATOM 0 HB2 PHE A 740 -4.986 10.108 -4.745 1.00 61.11 H new ATOM 0 HB3 PHE A 740 -4.524 9.434 -6.295 1.00 61.11 H new ATOM 0 HD1 PHE A 740 -3.210 10.780 -7.898 1.00 55.22 H new ATOM 0 HD2 PHE A 740 -4.143 12.242 -4.010 1.00 65.12 H new ATOM 0 HE1 PHE A 740 -1.462 12.491 -8.125 1.00 23.54 H new ATOM 0 HE2 PHE A 740 -2.392 13.951 -4.231 1.00 11.10 H new ATOM 0 HZ PHE A 740 -1.046 14.076 -6.287 1.00 54.44 H new ATOM 537 N ALA A 741 -6.817 8.558 -7.201 1.00 52.32 N ATOM 538 CA ALA A 741 -7.541 7.298 -7.221 1.00 71.45 C ATOM 539 C ALA A 741 -6.602 6.168 -6.829 1.00 11.42 C ATOM 540 O ALA A 741 -5.666 5.853 -7.565 1.00 33.33 O ATOM 541 CB ALA A 741 -8.142 7.049 -8.597 1.00 44.02 C ATOM 0 H ALA A 741 -6.049 8.611 -7.871 1.00 52.32 H new ATOM 0 HA ALA A 741 -8.360 7.343 -6.503 1.00 71.45 H new ATOM 0 HB1 ALA A 741 -8.680 6.101 -8.593 1.00 44.02 H new ATOM 0 HB2 ALA A 741 -8.831 7.856 -8.845 1.00 44.02 H new ATOM 0 HB3 ALA A 741 -7.346 7.011 -9.340 1.00 44.02 H new ATOM 547 N ALA A 742 -6.836 5.585 -5.663 1.00 44.52 N ATOM 548 CA ALA A 742 -5.961 4.551 -5.133 1.00 52.41 C ATOM 549 C ALA A 742 -6.465 3.160 -5.487 1.00 64.10 C ATOM 550 O ALA A 742 -7.637 2.842 -5.286 1.00 73.24 O ATOM 551 CB ALA A 742 -5.834 4.696 -3.627 1.00 62.44 C ATOM 0 H ALA A 742 -7.629 5.812 -5.063 1.00 44.52 H new ATOM 0 HA ALA A 742 -4.979 4.676 -5.590 1.00 52.41 H new ATOM 0 HB1 ALA A 742 -5.177 3.917 -3.241 1.00 62.44 H new ATOM 0 HB2 ALA A 742 -5.416 5.674 -3.390 1.00 62.44 H new ATOM 0 HB3 ALA A 742 -6.818 4.601 -3.168 1.00 62.44 H new ATOM 557 N GLU A 743 -5.573 2.338 -6.017 1.00 54.34 N ATOM 558 CA GLU A 743 -5.909 0.972 -6.395 1.00 70.23 C ATOM 559 C GLU A 743 -4.858 -0.003 -5.883 1.00 20.22 C ATOM 560 O GLU A 743 -3.663 0.284 -5.916 1.00 74.31 O ATOM 561 CB GLU A 743 -6.007 0.840 -7.916 1.00 12.05 C ATOM 562 CG GLU A 743 -7.101 1.677 -8.551 1.00 52.24 C ATOM 563 CD GLU A 743 -7.031 1.647 -10.062 1.00 71.10 C ATOM 564 OE1 GLU A 743 -7.037 0.541 -10.643 1.00 24.15 O ATOM 565 OE2 GLU A 743 -6.942 2.725 -10.679 1.00 20.44 O ATOM 0 H GLU A 743 -4.602 2.595 -6.197 1.00 54.34 H new ATOM 0 HA GLU A 743 -6.874 0.734 -5.947 1.00 70.23 H new ATOM 0 HB2 GLU A 743 -5.050 1.122 -8.355 1.00 12.05 H new ATOM 0 HB3 GLU A 743 -6.176 -0.207 -8.167 1.00 12.05 H new ATOM 0 HG2 GLU A 743 -8.074 1.309 -8.226 1.00 52.24 H new ATOM 0 HG3 GLU A 743 -7.017 2.707 -8.204 1.00 52.24 H new ATOM 572 N PHE A 744 -5.310 -1.155 -5.416 1.00 24.32 N ATOM 573 CA PHE A 744 -4.415 -2.229 -5.014 1.00 24.31 C ATOM 574 C PHE A 744 -4.615 -3.418 -5.938 1.00 14.12 C ATOM 575 O PHE A 744 -5.576 -4.172 -5.781 1.00 24.40 O ATOM 576 CB PHE A 744 -4.682 -2.658 -3.567 1.00 63.22 C ATOM 577 CG PHE A 744 -4.321 -1.626 -2.539 1.00 30.24 C ATOM 578 CD1 PHE A 744 -5.233 -0.656 -2.158 1.00 64.22 C ATOM 579 CD2 PHE A 744 -3.071 -1.635 -1.945 1.00 45.42 C ATOM 580 CE1 PHE A 744 -4.903 0.287 -1.205 1.00 20.43 C ATOM 581 CE2 PHE A 744 -2.737 -0.698 -0.988 1.00 12.40 C ATOM 582 CZ PHE A 744 -3.653 0.265 -0.619 1.00 65.55 C ATOM 0 H PHE A 744 -6.300 -1.372 -5.305 1.00 24.32 H new ATOM 0 HA PHE A 744 -3.389 -1.868 -5.080 1.00 24.31 H new ATOM 0 HB2 PHE A 744 -5.739 -2.903 -3.463 1.00 63.22 H new ATOM 0 HB3 PHE A 744 -4.121 -3.570 -3.362 1.00 63.22 H new ATOM 0 HD1 PHE A 744 -6.213 -0.637 -2.611 1.00 64.22 H new ATOM 0 HD2 PHE A 744 -2.348 -2.384 -2.234 1.00 45.42 H new ATOM 0 HE1 PHE A 744 -5.622 1.041 -0.918 1.00 20.43 H new ATOM 0 HE2 PHE A 744 -1.760 -0.719 -0.529 1.00 12.40 H new ATOM 0 HZ PHE A 744 -3.393 1.001 0.127 1.00 65.55 H new ATOM 592 N LYS A 745 -3.733 -3.585 -6.910 1.00 13.30 N ATOM 593 CA LYS A 745 -3.916 -4.646 -7.884 1.00 14.21 C ATOM 594 C LYS A 745 -2.737 -5.608 -7.904 1.00 52.40 C ATOM 595 O LYS A 745 -1.584 -5.218 -7.707 1.00 62.20 O ATOM 596 CB LYS A 745 -4.186 -4.068 -9.280 1.00 63.34 C ATOM 597 CG LYS A 745 -3.058 -3.248 -9.879 1.00 2.22 C ATOM 598 CD LYS A 745 -3.537 -2.544 -11.142 1.00 12.01 C ATOM 599 CE LYS A 745 -4.619 -1.521 -10.823 1.00 3.10 C ATOM 600 NZ LYS A 745 -5.331 -1.044 -12.039 1.00 14.21 N ATOM 0 H LYS A 745 -2.900 -3.012 -7.044 1.00 13.30 H new ATOM 0 HA LYS A 745 -4.791 -5.220 -7.580 1.00 14.21 H new ATOM 0 HB2 LYS A 745 -4.412 -4.892 -9.957 1.00 63.34 H new ATOM 0 HB3 LYS A 745 -5.078 -3.443 -9.229 1.00 63.34 H new ATOM 0 HG2 LYS A 745 -2.707 -2.513 -9.154 1.00 2.22 H new ATOM 0 HG3 LYS A 745 -2.212 -3.894 -10.112 1.00 2.22 H new ATOM 0 HD2 LYS A 745 -2.696 -2.049 -11.627 1.00 12.01 H new ATOM 0 HD3 LYS A 745 -3.924 -3.279 -11.847 1.00 12.01 H new ATOM 0 HE2 LYS A 745 -5.339 -1.962 -10.134 1.00 3.10 H new ATOM 0 HE3 LYS A 745 -4.170 -0.670 -10.312 1.00 3.10 H new ATOM 0 HZ1 LYS A 745 -6.215 -0.572 -11.761 1.00 14.21 H new ATOM 0 HZ2 LYS A 745 -4.727 -0.372 -12.554 1.00 14.21 H new ATOM 0 HZ3 LYS A 745 -5.550 -1.854 -12.654 1.00 14.21 H new ATOM 614 N LEU A 746 -3.057 -6.876 -8.120 1.00 53.05 N ATOM 615 CA LEU A 746 -2.067 -7.937 -8.168 1.00 5.40 C ATOM 616 C LEU A 746 -1.373 -7.925 -9.526 1.00 32.31 C ATOM 617 O LEU A 746 -1.993 -8.208 -10.553 1.00 41.33 O ATOM 618 CB LEU A 746 -2.761 -9.285 -7.910 1.00 23.35 C ATOM 619 CG LEU A 746 -1.853 -10.480 -7.580 1.00 43.45 C ATOM 620 CD1 LEU A 746 -2.675 -11.594 -6.951 1.00 62.42 C ATOM 621 CD2 LEU A 746 -1.151 -11.004 -8.824 1.00 71.11 C ATOM 0 H LEU A 746 -4.014 -7.197 -8.267 1.00 53.05 H new ATOM 0 HA LEU A 746 -1.310 -7.783 -7.399 1.00 5.40 H new ATOM 0 HB2 LEU A 746 -3.462 -9.154 -7.086 1.00 23.35 H new ATOM 0 HB3 LEU A 746 -3.349 -9.539 -8.792 1.00 23.35 H new ATOM 0 HG LEU A 746 -1.092 -10.140 -6.877 1.00 43.45 H new ATOM 0 HD11 LEU A 746 -2.026 -12.439 -6.719 1.00 62.42 H new ATOM 0 HD12 LEU A 746 -3.139 -11.231 -6.034 1.00 62.42 H new ATOM 0 HD13 LEU A 746 -3.450 -11.913 -7.648 1.00 62.42 H new ATOM 0 HD21 LEU A 746 -0.517 -11.849 -8.555 1.00 71.11 H new ATOM 0 HD22 LEU A 746 -1.895 -11.326 -9.553 1.00 71.11 H new ATOM 0 HD23 LEU A 746 -0.538 -10.213 -9.256 1.00 71.11 H new ATOM 633 N VAL A 747 -0.094 -7.587 -9.527 1.00 44.22 N ATOM 634 CA VAL A 747 0.673 -7.504 -10.762 1.00 42.14 C ATOM 635 C VAL A 747 1.116 -8.890 -11.213 1.00 3.00 C ATOM 636 O VAL A 747 0.913 -9.277 -12.364 1.00 13.22 O ATOM 637 CB VAL A 747 1.914 -6.599 -10.595 1.00 14.04 C ATOM 638 CG1 VAL A 747 2.690 -6.493 -11.900 1.00 60.40 C ATOM 639 CG2 VAL A 747 1.503 -5.218 -10.102 1.00 34.10 C ATOM 0 H VAL A 747 0.437 -7.365 -8.685 1.00 44.22 H new ATOM 0 HA VAL A 747 0.022 -7.067 -11.519 1.00 42.14 H new ATOM 0 HB VAL A 747 2.568 -7.053 -9.850 1.00 14.04 H new ATOM 0 HG11 VAL A 747 3.559 -5.851 -11.756 1.00 60.40 H new ATOM 0 HG12 VAL A 747 3.020 -7.485 -12.209 1.00 60.40 H new ATOM 0 HG13 VAL A 747 2.048 -6.067 -12.671 1.00 60.40 H new ATOM 0 HG21 VAL A 747 2.389 -4.593 -9.990 1.00 34.10 H new ATOM 0 HG22 VAL A 747 0.826 -4.761 -10.823 1.00 34.10 H new ATOM 0 HG23 VAL A 747 1.000 -5.310 -9.140 1.00 34.10 H new ATOM 649 N ASP A 748 1.706 -9.637 -10.293 1.00 10.12 N ATOM 650 CA ASP A 748 2.219 -10.969 -10.592 1.00 24.12 C ATOM 651 C ASP A 748 2.279 -11.807 -9.324 1.00 32.23 C ATOM 652 O ASP A 748 2.454 -11.273 -8.236 1.00 62.55 O ATOM 653 CB ASP A 748 3.617 -10.873 -11.218 1.00 23.04 C ATOM 654 CG ASP A 748 4.272 -12.229 -11.412 1.00 21.11 C ATOM 655 OD1 ASP A 748 3.959 -12.911 -12.411 1.00 21.31 O ATOM 656 OD2 ASP A 748 5.104 -12.621 -10.565 1.00 32.12 O ATOM 0 H ASP A 748 1.843 -9.343 -9.326 1.00 10.12 H new ATOM 0 HA ASP A 748 1.545 -11.448 -11.302 1.00 24.12 H new ATOM 0 HB2 ASP A 748 3.544 -10.369 -12.182 1.00 23.04 H new ATOM 0 HB3 ASP A 748 4.252 -10.256 -10.583 1.00 23.04 H new ATOM 661 N GLN A 749 2.100 -13.104 -9.461 1.00 71.11 N ATOM 662 CA GLN A 749 2.299 -14.016 -8.351 1.00 32.11 C ATOM 663 C GLN A 749 3.122 -15.215 -8.795 1.00 72.31 C ATOM 664 O GLN A 749 2.657 -16.059 -9.559 1.00 0.15 O ATOM 665 CB GLN A 749 0.969 -14.475 -7.740 1.00 42.12 C ATOM 666 CG GLN A 749 -0.005 -15.079 -8.736 1.00 15.11 C ATOM 667 CD GLN A 749 -1.036 -15.966 -8.069 1.00 50.44 C ATOM 668 OE1 GLN A 749 -0.755 -16.610 -7.054 1.00 53.15 O ATOM 669 NE2 GLN A 749 -2.235 -16.001 -8.623 1.00 20.31 N ATOM 0 H GLN A 749 1.816 -13.553 -10.332 1.00 71.11 H new ATOM 0 HA GLN A 749 2.843 -13.476 -7.576 1.00 32.11 H new ATOM 0 HB2 GLN A 749 1.175 -15.209 -6.961 1.00 42.12 H new ATOM 0 HB3 GLN A 749 0.492 -13.623 -7.256 1.00 42.12 H new ATOM 0 HG2 GLN A 749 -0.512 -14.279 -9.275 1.00 15.11 H new ATOM 0 HG3 GLN A 749 0.548 -15.660 -9.474 1.00 15.11 H new ATOM 0 HE21 GLN A 749 -2.425 -15.453 -9.462 1.00 20.31 H new ATOM 0 HE22 GLN A 749 -2.970 -16.576 -8.212 1.00 20.31 H new ATOM 678 N SER A 750 4.356 -15.268 -8.336 1.00 44.32 N ATOM 679 CA SER A 750 5.241 -16.366 -8.663 1.00 1.44 C ATOM 680 C SER A 750 5.904 -16.902 -7.401 1.00 21.01 C ATOM 681 O SER A 750 7.052 -16.573 -7.098 1.00 64.22 O ATOM 682 CB SER A 750 6.296 -15.911 -9.671 1.00 24.30 C ATOM 683 OG SER A 750 5.691 -15.312 -10.807 1.00 3.24 O ATOM 0 H SER A 750 4.770 -14.558 -7.732 1.00 44.32 H new ATOM 0 HA SER A 750 4.655 -17.168 -9.113 1.00 1.44 H new ATOM 0 HB2 SER A 750 6.973 -15.200 -9.198 1.00 24.30 H new ATOM 0 HB3 SER A 750 6.898 -16.765 -9.983 1.00 24.30 H new ATOM 0 HG SER A 750 5.579 -14.351 -10.650 1.00 3.24 H new ATOM 689 N GLY A 751 5.163 -17.699 -6.648 1.00 5.41 N ATOM 690 CA GLY A 751 5.696 -18.269 -5.432 1.00 74.23 C ATOM 691 C GLY A 751 5.284 -19.712 -5.251 1.00 10.41 C ATOM 692 O GLY A 751 4.216 -20.113 -5.717 1.00 42.40 O ATOM 0 H GLY A 751 4.200 -17.961 -6.859 1.00 5.41 H new ATOM 0 HA2 GLY A 751 6.784 -18.203 -5.448 1.00 74.23 H new ATOM 0 HA3 GLY A 751 5.353 -17.685 -4.578 1.00 74.23 H new ATOM 696 N PRO A 752 6.120 -20.519 -4.581 1.00 24.03 N ATOM 697 CA PRO A 752 5.827 -21.932 -4.317 1.00 24.42 C ATOM 698 C PRO A 752 4.585 -22.105 -3.444 1.00 15.31 C ATOM 699 O PRO A 752 4.168 -21.173 -2.762 1.00 63.25 O ATOM 700 CB PRO A 752 7.077 -22.426 -3.578 1.00 24.12 C ATOM 701 CG PRO A 752 7.709 -21.197 -3.025 1.00 2.33 C ATOM 702 CD PRO A 752 7.420 -20.114 -4.021 1.00 71.41 C ATOM 0 HA PRO A 752 5.616 -22.485 -5.232 1.00 24.42 H new ATOM 0 HB2 PRO A 752 6.815 -23.126 -2.785 1.00 24.12 H new ATOM 0 HB3 PRO A 752 7.754 -22.948 -4.254 1.00 24.12 H new ATOM 0 HG2 PRO A 752 7.297 -20.950 -2.047 1.00 2.33 H new ATOM 0 HG3 PRO A 752 8.782 -21.333 -2.894 1.00 2.33 H new ATOM 0 HD2 PRO A 752 7.368 -19.134 -3.548 1.00 71.41 H new ATOM 0 HD3 PRO A 752 8.191 -20.056 -4.790 1.00 71.41 H new ATOM 710 N PRO A 753 3.976 -23.301 -3.451 1.00 34.31 N ATOM 711 CA PRO A 753 2.759 -23.579 -2.676 1.00 55.24 C ATOM 712 C PRO A 753 2.936 -23.325 -1.180 1.00 31.25 C ATOM 713 O PRO A 753 2.008 -22.883 -0.499 1.00 11.23 O ATOM 714 CB PRO A 753 2.492 -25.068 -2.931 1.00 51.23 C ATOM 715 CG PRO A 753 3.763 -25.612 -3.490 1.00 72.52 C ATOM 716 CD PRO A 753 4.409 -24.474 -4.222 1.00 25.23 C ATOM 0 HA PRO A 753 1.941 -22.926 -2.979 1.00 55.24 H new ATOM 0 HB2 PRO A 753 2.218 -25.581 -2.009 1.00 51.23 H new ATOM 0 HB3 PRO A 753 1.666 -25.204 -3.629 1.00 51.23 H new ATOM 0 HG2 PRO A 753 4.411 -25.984 -2.697 1.00 72.52 H new ATOM 0 HG3 PRO A 753 3.568 -26.448 -4.161 1.00 72.52 H new ATOM 0 HD2 PRO A 753 5.495 -24.568 -4.238 1.00 25.23 H new ATOM 0 HD3 PRO A 753 4.078 -24.421 -5.259 1.00 25.23 H new ATOM 724 N HIS A 754 4.134 -23.598 -0.675 1.00 2.22 N ATOM 725 CA HIS A 754 4.415 -23.449 0.748 1.00 1.53 C ATOM 726 C HIS A 754 4.777 -22.008 1.095 1.00 14.40 C ATOM 727 O HIS A 754 4.750 -21.622 2.263 1.00 54.20 O ATOM 728 CB HIS A 754 5.540 -24.401 1.180 1.00 21.51 C ATOM 729 CG HIS A 754 6.840 -24.194 0.458 1.00 35.23 C ATOM 730 ND1 HIS A 754 7.091 -24.794 -0.753 1.00 31.43 N ATOM 731 CD2 HIS A 754 7.918 -23.457 0.819 1.00 35.43 C ATOM 732 CE1 HIS A 754 8.308 -24.410 -1.100 1.00 24.40 C ATOM 733 NE2 HIS A 754 8.847 -23.602 -0.179 1.00 22.03 N ATOM 0 H HIS A 754 4.926 -23.923 -1.230 1.00 2.22 H new ATOM 0 HA HIS A 754 3.508 -23.709 1.293 1.00 1.53 H new ATOM 0 HB2 HIS A 754 5.710 -24.281 2.250 1.00 21.51 H new ATOM 0 HB3 HIS A 754 5.211 -25.428 1.023 1.00 21.51 H new ATOM 0 HD2 HIS A 754 8.025 -22.869 1.719 1.00 35.43 H new ATOM 0 HE1 HIS A 754 8.804 -24.710 -2.011 1.00 24.40 H new ATOM 0 HE2 HIS A 754 9.773 -23.175 -0.213 1.00 22.03 H new ATOM 741 N GLU A 755 5.101 -21.219 0.079 1.00 64.21 N ATOM 742 CA GLU A 755 5.512 -19.833 0.276 1.00 33.03 C ATOM 743 C GLU A 755 5.105 -18.975 -0.916 1.00 25.40 C ATOM 744 O GLU A 755 5.951 -18.568 -1.717 1.00 32.30 O ATOM 745 CB GLU A 755 7.026 -19.744 0.494 1.00 54.45 C ATOM 746 CG GLU A 755 7.444 -19.892 1.946 1.00 54.45 C ATOM 747 CD GLU A 755 6.991 -18.722 2.796 1.00 2.24 C ATOM 748 OE1 GLU A 755 5.811 -18.683 3.195 1.00 25.23 O ATOM 749 OE2 GLU A 755 7.813 -17.824 3.056 1.00 54.12 O ATOM 0 H GLU A 755 5.087 -21.517 -0.896 1.00 64.21 H new ATOM 0 HA GLU A 755 5.008 -19.455 1.165 1.00 33.03 H new ATOM 0 HB2 GLU A 755 7.515 -20.519 -0.096 1.00 54.45 H new ATOM 0 HB3 GLU A 755 7.382 -18.785 0.119 1.00 54.45 H new ATOM 0 HG2 GLU A 755 7.027 -20.815 2.350 1.00 54.45 H new ATOM 0 HG3 GLU A 755 8.529 -19.981 2.002 1.00 54.45 H new ATOM 756 N PRO A 756 3.796 -18.722 -1.066 1.00 64.34 N ATOM 757 CA PRO A 756 3.269 -17.893 -2.152 1.00 71.30 C ATOM 758 C PRO A 756 3.922 -16.517 -2.194 1.00 1.23 C ATOM 759 O PRO A 756 4.288 -15.957 -1.158 1.00 31.31 O ATOM 760 CB PRO A 756 1.781 -17.766 -1.821 1.00 22.03 C ATOM 761 CG PRO A 756 1.471 -18.943 -0.966 1.00 72.45 C ATOM 762 CD PRO A 756 2.725 -19.240 -0.195 1.00 13.34 C ATOM 0 HA PRO A 756 3.463 -18.334 -3.130 1.00 71.30 H new ATOM 0 HB2 PRO A 756 1.572 -16.833 -1.298 1.00 22.03 H new ATOM 0 HB3 PRO A 756 1.174 -17.766 -2.727 1.00 22.03 H new ATOM 0 HG2 PRO A 756 0.641 -18.728 -0.293 1.00 72.45 H new ATOM 0 HG3 PRO A 756 1.175 -19.799 -1.573 1.00 72.45 H new ATOM 0 HD2 PRO A 756 2.725 -18.747 0.777 1.00 13.34 H new ATOM 0 HD3 PRO A 756 2.839 -20.308 -0.011 1.00 13.34 H new ATOM 770 N LYS A 757 4.076 -15.980 -3.390 1.00 1.32 N ATOM 771 CA LYS A 757 4.681 -14.671 -3.561 1.00 64.41 C ATOM 772 C LYS A 757 3.802 -13.807 -4.447 1.00 1.00 C ATOM 773 O LYS A 757 3.620 -14.095 -5.628 1.00 42.14 O ATOM 774 CB LYS A 757 6.084 -14.802 -4.157 1.00 13.12 C ATOM 775 CG LYS A 757 6.807 -13.474 -4.325 1.00 51.40 C ATOM 776 CD LYS A 757 8.232 -13.677 -4.810 1.00 51.12 C ATOM 777 CE LYS A 757 9.069 -14.425 -3.784 1.00 15.14 C ATOM 778 NZ LYS A 757 10.445 -14.690 -4.277 1.00 62.01 N ATOM 0 H LYS A 757 3.790 -16.431 -4.259 1.00 1.32 H new ATOM 0 HA LYS A 757 4.771 -14.194 -2.585 1.00 64.41 H new ATOM 0 HB2 LYS A 757 6.681 -15.452 -3.517 1.00 13.12 H new ATOM 0 HB3 LYS A 757 6.012 -15.291 -5.129 1.00 13.12 H new ATOM 0 HG2 LYS A 757 6.265 -12.850 -5.035 1.00 51.40 H new ATOM 0 HG3 LYS A 757 6.817 -12.940 -3.375 1.00 51.40 H new ATOM 0 HD2 LYS A 757 8.223 -14.232 -5.748 1.00 51.12 H new ATOM 0 HD3 LYS A 757 8.688 -12.709 -5.017 1.00 51.12 H new ATOM 0 HE2 LYS A 757 9.119 -13.844 -2.863 1.00 15.14 H new ATOM 0 HE3 LYS A 757 8.583 -15.369 -3.539 1.00 15.14 H new ATOM 0 HZ1 LYS A 757 10.982 -15.201 -3.548 1.00 62.01 H new ATOM 0 HZ2 LYS A 757 10.399 -15.266 -5.141 1.00 62.01 H new ATOM 0 HZ3 LYS A 757 10.918 -13.788 -4.487 1.00 62.01 H new ATOM 792 N PHE A 758 3.244 -12.765 -3.861 1.00 4.41 N ATOM 793 CA PHE A 758 2.330 -11.885 -4.567 1.00 54.34 C ATOM 794 C PHE A 758 2.940 -10.507 -4.747 1.00 34.35 C ATOM 795 O PHE A 758 3.238 -9.817 -3.771 1.00 34.21 O ATOM 796 CB PHE A 758 1.007 -11.766 -3.807 1.00 13.43 C ATOM 797 CG PHE A 758 0.274 -13.066 -3.663 1.00 14.34 C ATOM 798 CD1 PHE A 758 0.503 -13.891 -2.575 1.00 10.12 C ATOM 799 CD2 PHE A 758 -0.647 -13.463 -4.616 1.00 51.21 C ATOM 800 CE1 PHE A 758 -0.173 -15.086 -2.440 1.00 13.35 C ATOM 801 CE2 PHE A 758 -1.328 -14.657 -4.487 1.00 30.23 C ATOM 802 CZ PHE A 758 -1.090 -15.471 -3.398 1.00 42.11 C ATOM 0 H PHE A 758 3.409 -12.505 -2.889 1.00 4.41 H new ATOM 0 HA PHE A 758 2.140 -12.317 -5.550 1.00 54.34 H new ATOM 0 HB2 PHE A 758 1.204 -11.358 -2.815 1.00 13.43 H new ATOM 0 HB3 PHE A 758 0.365 -11.053 -4.323 1.00 13.43 H new ATOM 0 HD1 PHE A 758 1.220 -13.595 -1.823 1.00 10.12 H new ATOM 0 HD2 PHE A 758 -0.836 -12.831 -5.471 1.00 51.21 H new ATOM 0 HE1 PHE A 758 0.015 -15.720 -1.586 1.00 13.35 H new ATOM 0 HE2 PHE A 758 -2.046 -14.954 -5.237 1.00 30.23 H new ATOM 0 HZ PHE A 758 -1.620 -16.407 -3.295 1.00 42.11 H new ATOM 812 N VAL A 759 3.135 -10.120 -5.996 1.00 72.42 N ATOM 813 CA VAL A 759 3.627 -8.795 -6.320 1.00 3.13 C ATOM 814 C VAL A 759 2.463 -7.820 -6.375 1.00 3.44 C ATOM 815 O VAL A 759 1.700 -7.792 -7.348 1.00 55.35 O ATOM 816 CB VAL A 759 4.373 -8.771 -7.671 1.00 11.33 C ATOM 817 CG1 VAL A 759 5.006 -7.409 -7.914 1.00 34.21 C ATOM 818 CG2 VAL A 759 5.420 -9.870 -7.729 1.00 3.12 C ATOM 0 H VAL A 759 2.958 -10.712 -6.808 1.00 72.42 H new ATOM 0 HA VAL A 759 4.332 -8.504 -5.541 1.00 3.13 H new ATOM 0 HB VAL A 759 3.646 -8.953 -8.463 1.00 11.33 H new ATOM 0 HG11 VAL A 759 5.526 -7.415 -8.872 1.00 34.21 H new ATOM 0 HG12 VAL A 759 4.230 -6.644 -7.928 1.00 34.21 H new ATOM 0 HG13 VAL A 759 5.716 -7.190 -7.117 1.00 34.21 H new ATOM 0 HG21 VAL A 759 5.933 -9.834 -8.690 1.00 3.12 H new ATOM 0 HG22 VAL A 759 6.143 -9.726 -6.926 1.00 3.12 H new ATOM 0 HG23 VAL A 759 4.936 -10.840 -7.612 1.00 3.12 H new ATOM 828 N TYR A 760 2.310 -7.052 -5.313 1.00 12.40 N ATOM 829 CA TYR A 760 1.253 -6.066 -5.229 1.00 61.32 C ATOM 830 C TYR A 760 1.816 -4.670 -5.396 1.00 42.31 C ATOM 831 O TYR A 760 2.867 -4.340 -4.842 1.00 72.42 O ATOM 832 CB TYR A 760 0.507 -6.176 -3.901 1.00 1.21 C ATOM 833 CG TYR A 760 -0.721 -7.048 -3.979 1.00 21.21 C ATOM 834 CD1 TYR A 760 -0.634 -8.428 -3.847 1.00 42.33 C ATOM 835 CD2 TYR A 760 -1.972 -6.486 -4.195 1.00 15.53 C ATOM 836 CE1 TYR A 760 -1.763 -9.221 -3.931 1.00 10.31 C ATOM 837 CE2 TYR A 760 -3.103 -7.272 -4.275 1.00 2.45 C ATOM 838 CZ TYR A 760 -2.992 -8.637 -4.143 1.00 74.15 C ATOM 839 OH TYR A 760 -4.117 -9.421 -4.228 1.00 22.22 O ATOM 0 H TYR A 760 2.911 -7.094 -4.490 1.00 12.40 H new ATOM 0 HA TYR A 760 0.547 -6.260 -6.036 1.00 61.32 H new ATOM 0 HB2 TYR A 760 1.182 -6.577 -3.145 1.00 1.21 H new ATOM 0 HB3 TYR A 760 0.216 -5.179 -3.572 1.00 1.21 H new ATOM 0 HD1 TYR A 760 0.328 -8.887 -3.676 1.00 42.33 H new ATOM 0 HD2 TYR A 760 -2.061 -5.415 -4.302 1.00 15.53 H new ATOM 0 HE1 TYR A 760 -1.682 -10.293 -3.831 1.00 10.31 H new ATOM 0 HE2 TYR A 760 -4.069 -6.819 -4.440 1.00 2.45 H new ATOM 0 HH TYR A 760 -4.901 -8.853 -4.378 1.00 22.22 H new ATOM 849 N GLN A 761 1.122 -3.862 -6.171 1.00 12.13 N ATOM 850 CA GLN A 761 1.541 -2.500 -6.412 1.00 33.04 C ATOM 851 C GLN A 761 0.352 -1.562 -6.298 1.00 54.11 C ATOM 852 O GLN A 761 -0.722 -1.828 -6.851 1.00 64.24 O ATOM 853 CB GLN A 761 2.207 -2.390 -7.788 1.00 63.40 C ATOM 854 CG GLN A 761 2.630 -0.983 -8.166 1.00 72.15 C ATOM 855 CD GLN A 761 3.630 -0.968 -9.301 1.00 24.42 C ATOM 856 OE1 GLN A 761 4.906 -0.924 -8.957 1.00 24.34 O flip ATOM 857 NE2 GLN A 761 3.263 -0.974 -10.476 1.00 65.13 N flip ATOM 0 H GLN A 761 0.260 -4.129 -6.647 1.00 12.13 H new ATOM 0 HA GLN A 761 2.274 -2.210 -5.659 1.00 33.04 H new ATOM 0 HB2 GLN A 761 3.083 -3.038 -7.807 1.00 63.40 H new ATOM 0 HB3 GLN A 761 1.517 -2.765 -8.544 1.00 63.40 H new ATOM 0 HG2 GLN A 761 1.750 -0.406 -8.452 1.00 72.15 H new ATOM 0 HG3 GLN A 761 3.064 -0.491 -7.296 1.00 72.15 H new ATOM 0 HE21 GLN A 761 2.268 -1.009 -10.699 1.00 65.13 H new ATOM 0 HE22 GLN A 761 3.954 -0.944 -11.226 1.00 65.13 H new ATOM 866 N ALA A 762 0.536 -0.484 -5.554 1.00 25.01 N ATOM 867 CA ALA A 762 -0.524 0.478 -5.332 1.00 45.12 C ATOM 868 C ALA A 762 -0.513 1.547 -6.414 1.00 43.11 C ATOM 869 O ALA A 762 0.493 2.225 -6.631 1.00 23.23 O ATOM 870 CB ALA A 762 -0.397 1.102 -3.950 1.00 22.13 C ATOM 0 H ALA A 762 1.416 -0.255 -5.092 1.00 25.01 H new ATOM 0 HA ALA A 762 -1.480 -0.044 -5.383 1.00 45.12 H new ATOM 0 HB1 ALA A 762 -1.201 1.822 -3.801 1.00 22.13 H new ATOM 0 HB2 ALA A 762 -0.462 0.322 -3.191 1.00 22.13 H new ATOM 0 HB3 ALA A 762 0.564 1.609 -3.867 1.00 22.13 H new ATOM 876 N LYS A 763 -1.629 1.671 -7.104 1.00 73.25 N ATOM 877 CA LYS A 763 -1.778 2.667 -8.146 1.00 54.30 C ATOM 878 C LYS A 763 -2.495 3.882 -7.587 1.00 12.22 C ATOM 879 O LYS A 763 -3.697 3.839 -7.342 1.00 13.13 O ATOM 880 CB LYS A 763 -2.567 2.091 -9.322 1.00 71.33 C ATOM 881 CG LYS A 763 -2.707 3.040 -10.499 1.00 43.22 C ATOM 882 CD LYS A 763 -3.609 2.450 -11.567 1.00 44.34 C ATOM 883 CE LYS A 763 -3.556 3.252 -12.855 1.00 34.33 C ATOM 884 NZ LYS A 763 -4.150 4.607 -12.712 1.00 51.42 N ATOM 0 H LYS A 763 -2.454 1.088 -6.960 1.00 73.25 H new ATOM 0 HA LYS A 763 -0.790 2.961 -8.501 1.00 54.30 H new ATOM 0 HB2 LYS A 763 -2.078 1.178 -9.661 1.00 71.33 H new ATOM 0 HB3 LYS A 763 -3.561 1.810 -8.975 1.00 71.33 H new ATOM 0 HG2 LYS A 763 -3.115 3.991 -10.158 1.00 43.22 H new ATOM 0 HG3 LYS A 763 -1.724 3.248 -10.922 1.00 43.22 H new ATOM 0 HD2 LYS A 763 -3.311 1.421 -11.767 1.00 44.34 H new ATOM 0 HD3 LYS A 763 -4.635 2.419 -11.200 1.00 44.34 H new ATOM 0 HE2 LYS A 763 -2.519 3.347 -13.177 1.00 34.33 H new ATOM 0 HE3 LYS A 763 -4.085 2.709 -13.638 1.00 34.33 H new ATOM 0 HZ1 LYS A 763 -4.337 5.005 -13.654 1.00 51.42 H new ATOM 0 HZ2 LYS A 763 -5.042 4.541 -12.181 1.00 51.42 H new ATOM 0 HZ3 LYS A 763 -3.487 5.224 -12.201 1.00 51.42 H new ATOM 898 N VAL A 764 -1.756 4.947 -7.361 1.00 42.23 N ATOM 899 CA VAL A 764 -2.330 6.169 -6.835 1.00 20.24 C ATOM 900 C VAL A 764 -2.352 7.236 -7.919 1.00 71.03 C ATOM 901 O VAL A 764 -1.339 7.876 -8.202 1.00 12.44 O ATOM 902 CB VAL A 764 -1.558 6.676 -5.600 1.00 34.22 C ATOM 903 CG1 VAL A 764 -2.199 7.936 -5.037 1.00 43.12 C ATOM 904 CG2 VAL A 764 -1.498 5.587 -4.541 1.00 72.04 C ATOM 0 H VAL A 764 -0.752 4.992 -7.534 1.00 42.23 H new ATOM 0 HA VAL A 764 -3.350 5.953 -6.517 1.00 20.24 H new ATOM 0 HB VAL A 764 -0.542 6.926 -5.906 1.00 34.22 H new ATOM 0 HG11 VAL A 764 -1.636 8.273 -4.167 1.00 43.12 H new ATOM 0 HG12 VAL A 764 -2.195 8.717 -5.797 1.00 43.12 H new ATOM 0 HG13 VAL A 764 -3.226 7.721 -4.743 1.00 43.12 H new ATOM 0 HG21 VAL A 764 -0.951 5.954 -3.672 1.00 72.04 H new ATOM 0 HG22 VAL A 764 -2.510 5.313 -4.243 1.00 72.04 H new ATOM 0 HG23 VAL A 764 -0.990 4.712 -4.947 1.00 72.04 H new ATOM 914 N GLY A 765 -3.510 7.392 -8.547 1.00 32.33 N ATOM 915 CA GLY A 765 -3.638 8.324 -9.643 1.00 1.33 C ATOM 916 C GLY A 765 -2.903 7.832 -10.870 1.00 34.12 C ATOM 917 O GLY A 765 -3.326 6.875 -11.515 1.00 31.35 O ATOM 0 H GLY A 765 -4.364 6.886 -8.314 1.00 32.33 H new ATOM 0 HA2 GLY A 765 -4.692 8.467 -9.881 1.00 1.33 H new ATOM 0 HA3 GLY A 765 -3.244 9.296 -9.345 1.00 1.33 H new ATOM 921 N GLY A 766 -1.790 8.471 -11.179 1.00 1.12 N ATOM 922 CA GLY A 766 -0.980 8.046 -12.300 1.00 73.04 C ATOM 923 C GLY A 766 0.324 7.424 -11.855 1.00 43.04 C ATOM 924 O GLY A 766 1.141 7.020 -12.682 1.00 31.31 O ATOM 0 H GLY A 766 -1.430 9.280 -10.673 1.00 1.12 H new ATOM 0 HA2 GLY A 766 -1.539 7.327 -12.899 1.00 73.04 H new ATOM 0 HA3 GLY A 766 -0.773 8.902 -12.942 1.00 73.04 H new ATOM 928 N ARG A 767 0.519 7.341 -10.547 1.00 13.41 N ATOM 929 CA ARG A 767 1.752 6.802 -9.994 1.00 24.22 C ATOM 930 C ARG A 767 1.559 5.380 -9.492 1.00 1.44 C ATOM 931 O ARG A 767 0.543 5.053 -8.884 1.00 4.34 O ATOM 932 CB ARG A 767 2.268 7.684 -8.854 1.00 13.40 C ATOM 933 CG ARG A 767 2.951 8.957 -9.323 1.00 51.14 C ATOM 934 CD ARG A 767 4.167 8.642 -10.178 1.00 23.41 C ATOM 935 NE ARG A 767 4.916 9.844 -10.534 1.00 60.13 N ATOM 936 CZ ARG A 767 5.646 9.964 -11.641 1.00 24.51 C ATOM 937 NH1 ARG A 767 5.738 8.953 -12.498 1.00 63.43 N ATOM 938 NH2 ARG A 767 6.293 11.095 -11.882 1.00 31.43 N ATOM 0 H ARG A 767 -0.162 7.640 -9.849 1.00 13.41 H new ATOM 0 HA ARG A 767 2.489 6.789 -10.797 1.00 24.22 H new ATOM 0 HB2 ARG A 767 1.433 7.949 -8.206 1.00 13.40 H new ATOM 0 HB3 ARG A 767 2.969 7.108 -8.251 1.00 13.40 H new ATOM 0 HG2 ARG A 767 2.247 9.562 -9.895 1.00 51.14 H new ATOM 0 HG3 ARG A 767 3.253 9.550 -8.460 1.00 51.14 H new ATOM 0 HD2 ARG A 767 4.820 7.955 -9.639 1.00 23.41 H new ATOM 0 HD3 ARG A 767 3.848 8.132 -11.087 1.00 23.41 H new ATOM 0 HE ARG A 767 4.878 10.639 -9.896 1.00 60.13 H new ATOM 0 HH11 ARG A 767 5.248 8.079 -12.310 1.00 63.43 H new ATOM 0 HH12 ARG A 767 6.299 9.051 -13.344 1.00 63.43 H new ATOM 0 HH21 ARG A 767 6.231 11.869 -11.221 1.00 31.43 H new ATOM 0 HH22 ARG A 767 6.853 11.191 -12.729 1.00 31.43 H new ATOM 952 N TRP A 768 2.544 4.542 -9.763 1.00 52.35 N ATOM 953 CA TRP A 768 2.557 3.174 -9.273 1.00 33.55 C ATOM 954 C TRP A 768 3.617 3.035 -8.193 1.00 41.21 C ATOM 955 O TRP A 768 4.813 3.084 -8.490 1.00 30.41 O ATOM 956 CB TRP A 768 2.881 2.200 -10.403 1.00 74.22 C ATOM 957 CG TRP A 768 1.914 2.220 -11.543 1.00 53.30 C ATOM 958 CD1 TRP A 768 1.941 3.052 -12.624 1.00 11.40 C ATOM 959 CD2 TRP A 768 0.792 1.352 -11.731 1.00 4.34 C ATOM 960 NE1 TRP A 768 0.906 2.755 -13.473 1.00 25.41 N ATOM 961 CE2 TRP A 768 0.185 1.714 -12.947 1.00 61.11 C ATOM 962 CE3 TRP A 768 0.239 0.302 -10.988 1.00 21.03 C ATOM 963 CZ2 TRP A 768 -0.939 1.064 -13.439 1.00 74.25 C ATOM 964 CZ3 TRP A 768 -0.882 -0.340 -11.477 1.00 64.54 C ATOM 965 CH2 TRP A 768 -1.458 0.042 -12.691 1.00 41.52 C ATOM 0 H TRP A 768 3.356 4.790 -10.328 1.00 52.35 H new ATOM 0 HA TRP A 768 1.571 2.942 -8.871 1.00 33.55 H new ATOM 0 HB2 TRP A 768 3.876 2.426 -10.785 1.00 74.22 H new ATOM 0 HB3 TRP A 768 2.919 1.190 -9.994 1.00 74.22 H new ATOM 0 HD1 TRP A 768 2.671 3.831 -12.787 1.00 11.40 H new ATOM 0 HE1 TRP A 768 0.705 3.231 -14.353 1.00 25.41 H new ATOM 0 HE3 TRP A 768 0.681 -0.000 -10.050 1.00 21.03 H new ATOM 0 HZ2 TRP A 768 -1.387 1.354 -14.378 1.00 74.25 H new ATOM 0 HZ3 TRP A 768 -1.320 -1.150 -10.912 1.00 64.54 H new ATOM 0 HH2 TRP A 768 -2.333 -0.481 -13.048 1.00 41.52 H new ATOM 976 N PHE A 769 3.190 2.885 -6.951 1.00 23.00 N ATOM 977 CA PHE A 769 4.121 2.739 -5.844 1.00 30.41 C ATOM 978 C PHE A 769 3.385 2.315 -4.581 1.00 53.32 C ATOM 979 O PHE A 769 2.290 2.797 -4.295 1.00 54.12 O ATOM 980 CB PHE A 769 4.892 4.046 -5.593 1.00 62.54 C ATOM 981 CG PHE A 769 4.055 5.167 -5.036 1.00 70.33 C ATOM 982 CD1 PHE A 769 3.236 5.921 -5.862 1.00 63.43 C ATOM 983 CD2 PHE A 769 4.092 5.463 -3.684 1.00 21.44 C ATOM 984 CE1 PHE A 769 2.469 6.947 -5.346 1.00 71.23 C ATOM 985 CE2 PHE A 769 3.329 6.488 -3.163 1.00 25.21 C ATOM 986 CZ PHE A 769 2.516 7.232 -3.996 1.00 24.30 C ATOM 0 H PHE A 769 2.206 2.861 -6.683 1.00 23.00 H new ATOM 0 HA PHE A 769 4.839 1.964 -6.111 1.00 30.41 H new ATOM 0 HB2 PHE A 769 5.711 3.843 -4.903 1.00 62.54 H new ATOM 0 HB3 PHE A 769 5.340 4.375 -6.531 1.00 62.54 H new ATOM 0 HD1 PHE A 769 3.197 5.704 -6.919 1.00 63.43 H new ATOM 0 HD2 PHE A 769 4.726 4.884 -3.029 1.00 21.44 H new ATOM 0 HE1 PHE A 769 1.833 7.526 -5.998 1.00 71.23 H new ATOM 0 HE2 PHE A 769 3.367 6.708 -2.106 1.00 25.21 H new ATOM 0 HZ PHE A 769 1.918 8.035 -3.592 1.00 24.30 H new ATOM 996 N PRO A 770 3.973 1.394 -3.818 1.00 63.41 N ATOM 997 CA PRO A 770 5.213 0.732 -4.176 1.00 21.22 C ATOM 998 C PRO A 770 4.963 -0.638 -4.804 1.00 74.35 C ATOM 999 O PRO A 770 3.815 -1.026 -5.027 1.00 2.24 O ATOM 1000 CB PRO A 770 5.875 0.578 -2.814 1.00 63.44 C ATOM 1001 CG PRO A 770 4.736 0.341 -1.873 1.00 34.11 C ATOM 1002 CD PRO A 770 3.498 0.937 -2.511 1.00 74.40 C ATOM 0 HA PRO A 770 5.802 1.278 -4.913 1.00 21.22 H new ATOM 0 HB2 PRO A 770 6.578 -0.255 -2.805 1.00 63.44 H new ATOM 0 HB3 PRO A 770 6.437 1.472 -2.542 1.00 63.44 H new ATOM 0 HG2 PRO A 770 4.601 -0.726 -1.693 1.00 34.11 H new ATOM 0 HG3 PRO A 770 4.932 0.805 -0.906 1.00 34.11 H new ATOM 0 HD2 PRO A 770 2.702 0.199 -2.609 1.00 74.40 H new ATOM 0 HD3 PRO A 770 3.098 1.760 -1.919 1.00 74.40 H new ATOM 1010 N ALA A 771 6.032 -1.360 -5.084 1.00 3.45 N ATOM 1011 CA ALA A 771 5.931 -2.728 -5.560 1.00 10.00 C ATOM 1012 C ALA A 771 6.437 -3.679 -4.489 1.00 53.13 C ATOM 1013 O ALA A 771 7.638 -3.754 -4.232 1.00 75.53 O ATOM 1014 CB ALA A 771 6.718 -2.906 -6.850 1.00 4.55 C ATOM 0 H ALA A 771 6.988 -1.018 -4.989 1.00 3.45 H new ATOM 0 HA ALA A 771 4.886 -2.954 -5.770 1.00 10.00 H new ATOM 0 HB1 ALA A 771 6.630 -3.938 -7.191 1.00 4.55 H new ATOM 0 HB2 ALA A 771 6.321 -2.237 -7.613 1.00 4.55 H new ATOM 0 HB3 ALA A 771 7.767 -2.671 -6.671 1.00 4.55 H new ATOM 1020 N VAL A 772 5.522 -4.383 -3.844 1.00 45.04 N ATOM 1021 CA VAL A 772 5.889 -5.278 -2.757 1.00 24.11 C ATOM 1022 C VAL A 772 5.611 -6.732 -3.116 1.00 20.22 C ATOM 1023 O VAL A 772 4.666 -7.036 -3.842 1.00 13.25 O ATOM 1024 CB VAL A 772 5.159 -4.921 -1.441 1.00 32.04 C ATOM 1025 CG1 VAL A 772 5.610 -3.560 -0.931 1.00 22.23 C ATOM 1026 CG2 VAL A 772 3.648 -4.946 -1.625 1.00 23.32 C ATOM 0 H VAL A 772 4.524 -4.353 -4.052 1.00 45.04 H new ATOM 0 HA VAL A 772 6.960 -5.150 -2.601 1.00 24.11 H new ATOM 0 HB VAL A 772 5.420 -5.675 -0.699 1.00 32.04 H new ATOM 0 HG11 VAL A 772 5.085 -3.326 -0.005 1.00 22.23 H new ATOM 0 HG12 VAL A 772 6.684 -3.579 -0.745 1.00 22.23 H new ATOM 0 HG13 VAL A 772 5.384 -2.799 -1.678 1.00 22.23 H new ATOM 0 HG21 VAL A 772 3.162 -4.691 -0.683 1.00 23.32 H new ATOM 0 HG22 VAL A 772 3.362 -4.222 -2.388 1.00 23.32 H new ATOM 0 HG23 VAL A 772 3.336 -5.943 -1.936 1.00 23.32 H new ATOM 1036 N CYS A 773 6.451 -7.619 -2.613 1.00 14.21 N ATOM 1037 CA CYS A 773 6.298 -9.044 -2.843 1.00 70.51 C ATOM 1038 C CYS A 773 5.928 -9.742 -1.539 1.00 53.12 C ATOM 1039 O CYS A 773 6.791 -10.062 -0.719 1.00 42.23 O ATOM 1040 CB CYS A 773 7.586 -9.631 -3.433 1.00 43.03 C ATOM 1041 SG CYS A 773 9.098 -9.134 -2.567 1.00 10.11 S ATOM 0 H CYS A 773 7.255 -7.373 -2.036 1.00 14.21 H new ATOM 0 HA CYS A 773 5.495 -9.205 -3.562 1.00 70.51 H new ATOM 0 HB2 CYS A 773 7.515 -10.719 -3.420 1.00 43.03 H new ATOM 0 HB3 CYS A 773 7.664 -9.329 -4.477 1.00 43.03 H new ATOM 0 HG CYS A 773 8.919 -9.242 -1.284 1.00 10.11 H new ATOM 1047 N ALA A 774 4.638 -9.953 -1.339 1.00 4.21 N ATOM 1048 CA ALA A 774 4.138 -10.491 -0.086 1.00 62.52 C ATOM 1049 C ALA A 774 3.983 -12.001 -0.143 1.00 75.34 C ATOM 1050 O ALA A 774 4.022 -12.602 -1.215 1.00 24.33 O ATOM 1051 CB ALA A 774 2.816 -9.842 0.267 1.00 42.21 C ATOM 0 H ALA A 774 3.915 -9.759 -2.032 1.00 4.21 H new ATOM 0 HA ALA A 774 4.870 -10.264 0.689 1.00 62.52 H new ATOM 0 HB1 ALA A 774 2.449 -10.252 1.208 1.00 42.21 H new ATOM 0 HB2 ALA A 774 2.955 -8.766 0.370 1.00 42.21 H new ATOM 0 HB3 ALA A 774 2.091 -10.040 -0.522 1.00 42.21 H new ATOM 1057 N HIS A 775 3.798 -12.605 1.023 1.00 63.32 N ATOM 1058 CA HIS A 775 3.656 -14.055 1.124 1.00 34.21 C ATOM 1059 C HIS A 775 2.186 -14.464 1.049 1.00 64.25 C ATOM 1060 O HIS A 775 1.861 -15.652 1.042 1.00 42.11 O ATOM 1061 CB HIS A 775 4.284 -14.570 2.426 1.00 54.21 C ATOM 1062 CG HIS A 775 5.766 -14.332 2.527 1.00 5.21 C ATOM 1063 ND1 HIS A 775 6.699 -15.346 2.533 1.00 61.11 N ATOM 1064 CD2 HIS A 775 6.471 -13.180 2.639 1.00 72.41 C ATOM 1065 CE1 HIS A 775 7.907 -14.829 2.640 1.00 54.24 C ATOM 1066 NE2 HIS A 775 7.798 -13.518 2.706 1.00 61.54 N ATOM 0 H HIS A 775 3.742 -12.114 1.915 1.00 63.32 H new ATOM 0 HA HIS A 775 4.182 -14.504 0.282 1.00 34.21 H new ATOM 0 HB2 HIS A 775 3.791 -14.089 3.270 1.00 54.21 H new ATOM 0 HB3 HIS A 775 4.092 -15.639 2.512 1.00 54.21 H new ATOM 0 HD1 HIS A 775 6.488 -16.342 2.465 1.00 61.11 H new ATOM 0 HD2 HIS A 775 6.063 -12.181 2.670 1.00 72.41 H new ATOM 0 HE1 HIS A 775 8.831 -15.387 2.669 1.00 54.24 H new ATOM 1075 N SER A 776 1.305 -13.473 0.999 1.00 31.32 N ATOM 1076 CA SER A 776 -0.126 -13.709 0.857 1.00 73.43 C ATOM 1077 C SER A 776 -0.803 -12.453 0.321 1.00 21.22 C ATOM 1078 O SER A 776 -0.159 -11.407 0.194 1.00 24.24 O ATOM 1079 CB SER A 776 -0.742 -14.125 2.197 1.00 11.41 C ATOM 1080 OG SER A 776 -0.494 -13.154 3.194 1.00 62.11 O ATOM 0 H SER A 776 1.561 -12.487 1.055 1.00 31.32 H new ATOM 0 HA SER A 776 -0.281 -14.524 0.150 1.00 73.43 H new ATOM 0 HB2 SER A 776 -1.817 -14.264 2.079 1.00 11.41 H new ATOM 0 HB3 SER A 776 -0.329 -15.084 2.509 1.00 11.41 H new ATOM 0 HG SER A 776 0.404 -13.287 3.564 1.00 62.11 H new ATOM 1086 N LYS A 777 -2.090 -12.552 0.013 1.00 3.54 N ATOM 1087 CA LYS A 777 -2.818 -11.438 -0.584 1.00 24.52 C ATOM 1088 C LYS A 777 -2.932 -10.260 0.376 1.00 21.05 C ATOM 1089 O LYS A 777 -2.589 -9.129 0.025 1.00 64.53 O ATOM 1090 CB LYS A 777 -4.221 -11.867 -0.997 1.00 3.12 C ATOM 1091 CG LYS A 777 -5.002 -10.746 -1.659 1.00 2.11 C ATOM 1092 CD LYS A 777 -6.470 -10.796 -1.298 1.00 65.12 C ATOM 1093 CE LYS A 777 -7.251 -9.720 -2.028 1.00 40.22 C ATOM 1094 NZ LYS A 777 -8.717 -9.862 -1.831 1.00 14.45 N ATOM 0 H LYS A 777 -2.651 -13.390 0.166 1.00 3.54 H new ATOM 0 HA LYS A 777 -2.251 -11.127 -1.462 1.00 24.52 H new ATOM 0 HB2 LYS A 777 -4.152 -12.711 -1.683 1.00 3.12 H new ATOM 0 HB3 LYS A 777 -4.764 -12.214 -0.118 1.00 3.12 H new ATOM 0 HG2 LYS A 777 -4.586 -9.785 -1.357 1.00 2.11 H new ATOM 0 HG3 LYS A 777 -4.891 -10.815 -2.741 1.00 2.11 H new ATOM 0 HD2 LYS A 777 -6.876 -11.776 -1.548 1.00 65.12 H new ATOM 0 HD3 LYS A 777 -6.587 -10.668 -0.222 1.00 65.12 H new ATOM 0 HE2 LYS A 777 -6.932 -8.739 -1.676 1.00 40.22 H new ATOM 0 HE3 LYS A 777 -7.023 -9.766 -3.093 1.00 40.22 H new ATOM 0 HZ1 LYS A 777 -9.211 -9.106 -2.347 1.00 14.45 H new ATOM 0 HZ2 LYS A 777 -9.028 -10.787 -2.190 1.00 14.45 H new ATOM 0 HZ3 LYS A 777 -8.939 -9.792 -0.818 1.00 14.45 H new ATOM 1108 N LYS A 778 -3.419 -10.525 1.583 1.00 42.01 N ATOM 1109 CA LYS A 778 -3.690 -9.464 2.541 1.00 50.05 C ATOM 1110 C LYS A 778 -2.403 -8.749 2.928 1.00 2.22 C ATOM 1111 O LYS A 778 -2.389 -7.528 3.088 1.00 22.51 O ATOM 1112 CB LYS A 778 -4.391 -10.017 3.782 1.00 2.02 C ATOM 1113 CG LYS A 778 -4.883 -8.939 4.734 1.00 42.20 C ATOM 1114 CD LYS A 778 -5.553 -9.534 5.961 1.00 22.42 C ATOM 1115 CE LYS A 778 -6.239 -8.460 6.795 1.00 12.21 C ATOM 1116 NZ LYS A 778 -7.381 -7.840 6.070 1.00 11.01 N ATOM 0 H LYS A 778 -3.633 -11.464 1.919 1.00 42.01 H new ATOM 0 HA LYS A 778 -4.356 -8.742 2.068 1.00 50.05 H new ATOM 0 HB2 LYS A 778 -5.238 -10.628 3.469 1.00 2.02 H new ATOM 0 HB3 LYS A 778 -3.704 -10.674 4.315 1.00 2.02 H new ATOM 0 HG2 LYS A 778 -4.043 -8.317 5.044 1.00 42.20 H new ATOM 0 HG3 LYS A 778 -5.587 -8.289 4.215 1.00 42.20 H new ATOM 0 HD2 LYS A 778 -6.285 -10.280 5.652 1.00 22.42 H new ATOM 0 HD3 LYS A 778 -4.810 -10.050 6.569 1.00 22.42 H new ATOM 0 HE2 LYS A 778 -6.595 -8.897 7.728 1.00 12.21 H new ATOM 0 HE3 LYS A 778 -5.516 -7.689 7.060 1.00 12.21 H new ATOM 0 HZ1 LYS A 778 -7.999 -7.352 6.749 1.00 11.01 H new ATOM 0 HZ2 LYS A 778 -7.020 -7.155 5.375 1.00 11.01 H new ATOM 0 HZ3 LYS A 778 -7.923 -8.579 5.578 1.00 11.01 H new ATOM 1130 N GLN A 779 -1.317 -9.508 3.056 1.00 13.22 N ATOM 1131 CA GLN A 779 -0.013 -8.918 3.327 1.00 54.13 C ATOM 1132 C GLN A 779 0.371 -7.974 2.199 1.00 64.40 C ATOM 1133 O GLN A 779 0.916 -6.907 2.441 1.00 70.52 O ATOM 1134 CB GLN A 779 1.063 -9.994 3.487 1.00 52.04 C ATOM 1135 CG GLN A 779 0.888 -10.867 4.717 1.00 23.23 C ATOM 1136 CD GLN A 779 1.983 -11.909 4.849 1.00 23.03 C ATOM 1137 OE1 GLN A 779 1.870 -13.011 4.314 1.00 74.15 O ATOM 1138 NE2 GLN A 779 3.041 -11.574 5.563 1.00 3.12 N ATOM 0 H GLN A 779 -1.316 -10.525 2.977 1.00 13.22 H new ATOM 0 HA GLN A 779 -0.082 -8.364 4.263 1.00 54.13 H new ATOM 0 HB2 GLN A 779 1.062 -10.629 2.601 1.00 52.04 H new ATOM 0 HB3 GLN A 779 2.040 -9.512 3.532 1.00 52.04 H new ATOM 0 HG2 GLN A 779 0.880 -10.238 5.607 1.00 23.23 H new ATOM 0 HG3 GLN A 779 -0.080 -11.366 4.670 1.00 23.23 H new ATOM 0 HE21 GLN A 779 3.096 -10.649 5.990 1.00 3.12 H new ATOM 0 HE22 GLN A 779 3.804 -12.240 5.687 1.00 3.12 H new ATOM 1147 N GLY A 780 0.057 -8.369 0.970 1.00 73.31 N ATOM 1148 CA GLY A 780 0.368 -7.545 -0.181 1.00 11.22 C ATOM 1149 C GLY A 780 -0.341 -6.213 -0.133 1.00 3.20 C ATOM 1150 O GLY A 780 0.280 -5.167 -0.318 1.00 75.25 O ATOM 0 H GLY A 780 -0.409 -9.249 0.751 1.00 73.31 H new ATOM 0 HA2 GLY A 780 1.445 -7.381 -0.229 1.00 11.22 H new ATOM 0 HA3 GLY A 780 0.085 -8.073 -1.092 1.00 11.22 H new ATOM 1154 N LYS A 781 -1.641 -6.248 0.133 1.00 5.12 N ATOM 1155 CA LYS A 781 -2.432 -5.028 0.232 1.00 55.42 C ATOM 1156 C LYS A 781 -1.942 -4.148 1.382 1.00 62.23 C ATOM 1157 O LYS A 781 -1.907 -2.922 1.264 1.00 51.54 O ATOM 1158 CB LYS A 781 -3.907 -5.373 0.432 1.00 11.13 C ATOM 1159 CG LYS A 781 -4.493 -6.209 -0.695 1.00 50.12 C ATOM 1160 CD LYS A 781 -5.951 -6.577 -0.447 1.00 23.44 C ATOM 1161 CE LYS A 781 -6.902 -5.410 -0.690 1.00 72.22 C ATOM 1162 NZ LYS A 781 -6.778 -4.340 0.336 1.00 64.21 N ATOM 0 H LYS A 781 -2.169 -7.107 0.284 1.00 5.12 H new ATOM 0 HA LYS A 781 -2.316 -4.472 -0.698 1.00 55.42 H new ATOM 0 HB2 LYS A 781 -4.021 -5.913 1.372 1.00 11.13 H new ATOM 0 HB3 LYS A 781 -4.479 -4.450 0.524 1.00 11.13 H new ATOM 0 HG2 LYS A 781 -4.415 -5.657 -1.632 1.00 50.12 H new ATOM 0 HG3 LYS A 781 -3.906 -7.120 -0.811 1.00 50.12 H new ATOM 0 HD2 LYS A 781 -6.228 -7.407 -1.097 1.00 23.44 H new ATOM 0 HD3 LYS A 781 -6.064 -6.925 0.580 1.00 23.44 H new ATOM 0 HE2 LYS A 781 -6.706 -4.987 -1.675 1.00 72.22 H new ATOM 0 HE3 LYS A 781 -7.927 -5.779 -0.701 1.00 72.22 H new ATOM 0 HZ1 LYS A 781 -7.716 -3.933 0.528 1.00 64.21 H new ATOM 0 HZ2 LYS A 781 -6.389 -4.743 1.212 1.00 64.21 H new ATOM 0 HZ3 LYS A 781 -6.142 -3.595 -0.014 1.00 64.21 H new ATOM 1176 N GLN A 782 -1.560 -4.775 2.487 1.00 74.41 N ATOM 1177 CA GLN A 782 -1.096 -4.039 3.658 1.00 71.11 C ATOM 1178 C GLN A 782 0.297 -3.458 3.432 1.00 43.34 C ATOM 1179 O GLN A 782 0.514 -2.271 3.653 1.00 63.20 O ATOM 1180 CB GLN A 782 -1.091 -4.931 4.900 1.00 54.40 C ATOM 1181 CG GLN A 782 -2.474 -5.390 5.332 1.00 74.35 C ATOM 1182 CD GLN A 782 -2.441 -6.245 6.585 1.00 60.51 C ATOM 1183 OE1 GLN A 782 -1.350 -6.970 6.781 1.00 71.20 O flip ATOM 1184 NE2 GLN A 782 -3.387 -6.252 7.372 1.00 54.31 N flip ATOM 0 H GLN A 782 -1.562 -5.789 2.598 1.00 74.41 H new ATOM 0 HA GLN A 782 -1.792 -3.216 3.819 1.00 71.11 H new ATOM 0 HB2 GLN A 782 -0.473 -5.807 4.704 1.00 54.40 H new ATOM 0 HB3 GLN A 782 -0.625 -4.389 5.723 1.00 54.40 H new ATOM 0 HG2 GLN A 782 -3.103 -4.518 5.508 1.00 74.35 H new ATOM 0 HG3 GLN A 782 -2.934 -5.956 4.522 1.00 74.35 H new ATOM 0 HE21 GLN A 782 -4.210 -5.679 7.185 1.00 54.31 H new ATOM 0 HE22 GLN A 782 -3.348 -6.831 8.211 1.00 54.31 H new ATOM 1193 N GLU A 783 1.229 -4.296 2.983 1.00 72.11 N ATOM 1194 CA GLU A 783 2.609 -3.873 2.753 1.00 73.52 C ATOM 1195 C GLU A 783 2.673 -2.767 1.710 1.00 32.44 C ATOM 1196 O GLU A 783 3.464 -1.832 1.834 1.00 2.41 O ATOM 1197 CB GLU A 783 3.473 -5.055 2.310 1.00 21.34 C ATOM 1198 CG GLU A 783 3.780 -6.041 3.423 1.00 4.43 C ATOM 1199 CD GLU A 783 4.629 -5.429 4.516 1.00 21.02 C ATOM 1200 OE1 GLU A 783 5.851 -5.273 4.305 1.00 3.14 O ATOM 1201 OE2 GLU A 783 4.081 -5.102 5.592 1.00 4.02 O ATOM 0 H GLU A 783 1.052 -5.278 2.770 1.00 72.11 H new ATOM 0 HA GLU A 783 2.998 -3.487 3.695 1.00 73.52 H new ATOM 0 HB2 GLU A 783 2.966 -5.581 1.501 1.00 21.34 H new ATOM 0 HB3 GLU A 783 4.411 -4.676 1.905 1.00 21.34 H new ATOM 0 HG2 GLU A 783 2.846 -6.403 3.852 1.00 4.43 H new ATOM 0 HG3 GLU A 783 4.296 -6.906 3.007 1.00 4.43 H new ATOM 1208 N ALA A 784 1.835 -2.877 0.685 1.00 72.32 N ATOM 1209 CA ALA A 784 1.759 -1.856 -0.347 1.00 42.33 C ATOM 1210 C ALA A 784 1.363 -0.521 0.265 1.00 55.50 C ATOM 1211 O ALA A 784 2.034 0.484 0.067 1.00 74.15 O ATOM 1212 CB ALA A 784 0.776 -2.256 -1.436 1.00 32.31 C ATOM 0 H ALA A 784 1.200 -3.664 0.549 1.00 72.32 H new ATOM 0 HA ALA A 784 2.744 -1.755 -0.803 1.00 42.33 H new ATOM 0 HB1 ALA A 784 0.737 -1.476 -2.196 1.00 32.31 H new ATOM 0 HB2 ALA A 784 1.100 -3.191 -1.893 1.00 32.31 H new ATOM 0 HB3 ALA A 784 -0.215 -2.388 -1.001 1.00 32.31 H new ATOM 1218 N ALA A 785 0.287 -0.527 1.039 1.00 30.10 N ATOM 1219 CA ALA A 785 -0.202 0.689 1.666 1.00 12.13 C ATOM 1220 C ALA A 785 0.790 1.204 2.702 1.00 12.14 C ATOM 1221 O ALA A 785 1.046 2.404 2.784 1.00 61.52 O ATOM 1222 CB ALA A 785 -1.555 0.435 2.302 1.00 1.20 C ATOM 0 H ALA A 785 -0.263 -1.361 1.247 1.00 30.10 H new ATOM 0 HA ALA A 785 -0.312 1.455 0.899 1.00 12.13 H new ATOM 0 HB1 ALA A 785 -1.915 1.351 2.770 1.00 1.20 H new ATOM 0 HB2 ALA A 785 -2.263 0.116 1.537 1.00 1.20 H new ATOM 0 HB3 ALA A 785 -1.461 -0.345 3.057 1.00 1.20 H new ATOM 1228 N ASP A 786 1.351 0.282 3.477 1.00 54.31 N ATOM 1229 CA ASP A 786 2.337 0.612 4.504 1.00 24.02 C ATOM 1230 C ASP A 786 3.510 1.361 3.882 1.00 43.00 C ATOM 1231 O ASP A 786 3.815 2.496 4.257 1.00 73.13 O ATOM 1232 CB ASP A 786 2.839 -0.675 5.170 1.00 63.44 C ATOM 1233 CG ASP A 786 3.647 -0.434 6.433 1.00 20.20 C ATOM 1234 OD1 ASP A 786 4.692 0.246 6.371 1.00 22.21 O ATOM 1235 OD2 ASP A 786 3.257 -0.961 7.495 1.00 14.24 O ATOM 0 H ASP A 786 1.137 -0.713 3.413 1.00 54.31 H new ATOM 0 HA ASP A 786 1.869 1.249 5.255 1.00 24.02 H new ATOM 0 HB2 ASP A 786 1.984 -1.306 5.411 1.00 63.44 H new ATOM 0 HB3 ASP A 786 3.452 -1.227 4.457 1.00 63.44 H new ATOM 1240 N ALA A 787 4.141 0.729 2.902 1.00 71.41 N ATOM 1241 CA ALA A 787 5.297 1.308 2.239 1.00 11.03 C ATOM 1242 C ALA A 787 4.920 2.579 1.482 1.00 24.13 C ATOM 1243 O ALA A 787 5.719 3.513 1.402 1.00 54.25 O ATOM 1244 CB ALA A 787 5.935 0.293 1.304 1.00 50.25 C ATOM 0 H ALA A 787 3.869 -0.188 2.549 1.00 71.41 H new ATOM 0 HA ALA A 787 6.025 1.581 3.003 1.00 11.03 H new ATOM 0 HB1 ALA A 787 6.800 0.742 0.815 1.00 50.25 H new ATOM 0 HB2 ALA A 787 6.254 -0.579 1.876 1.00 50.25 H new ATOM 0 HB3 ALA A 787 5.210 -0.013 0.550 1.00 50.25 H new ATOM 1250 N ALA A 788 3.701 2.615 0.947 1.00 23.22 N ATOM 1251 CA ALA A 788 3.218 3.780 0.212 1.00 54.43 C ATOM 1252 C ALA A 788 3.105 4.991 1.126 1.00 3.15 C ATOM 1253 O ALA A 788 3.526 6.088 0.761 1.00 54.42 O ATOM 1254 CB ALA A 788 1.875 3.491 -0.442 1.00 11.13 C ATOM 0 H ALA A 788 3.030 1.849 1.009 1.00 23.22 H new ATOM 0 HA ALA A 788 3.944 4.003 -0.570 1.00 54.43 H new ATOM 0 HB1 ALA A 788 1.536 4.374 -0.983 1.00 11.13 H new ATOM 0 HB2 ALA A 788 1.980 2.658 -1.137 1.00 11.13 H new ATOM 0 HB3 ALA A 788 1.145 3.234 0.325 1.00 11.13 H new ATOM 1260 N LEU A 789 2.552 4.788 2.319 1.00 71.32 N ATOM 1261 CA LEU A 789 2.422 5.865 3.287 1.00 10.43 C ATOM 1262 C LEU A 789 3.799 6.389 3.660 1.00 62.11 C ATOM 1263 O LEU A 789 4.000 7.592 3.776 1.00 53.13 O ATOM 1264 CB LEU A 789 1.679 5.394 4.542 1.00 11.43 C ATOM 1265 CG LEU A 789 0.260 4.874 4.307 1.00 64.15 C ATOM 1266 CD1 LEU A 789 -0.392 4.485 5.623 1.00 3.44 C ATOM 1267 CD2 LEU A 789 -0.578 5.916 3.586 1.00 1.34 C ATOM 0 H LEU A 789 2.189 3.889 2.635 1.00 71.32 H new ATOM 0 HA LEU A 789 1.840 6.667 2.833 1.00 10.43 H new ATOM 0 HB2 LEU A 789 2.263 4.605 5.015 1.00 11.43 H new ATOM 0 HB3 LEU A 789 1.632 6.223 5.248 1.00 11.43 H new ATOM 0 HG LEU A 789 0.321 3.986 3.678 1.00 64.15 H new ATOM 0 HD11 LEU A 789 -1.401 4.118 5.435 1.00 3.44 H new ATOM 0 HD12 LEU A 789 0.196 3.702 6.103 1.00 3.44 H new ATOM 0 HD13 LEU A 789 -0.439 5.356 6.277 1.00 3.44 H new ATOM 0 HD21 LEU A 789 -1.584 5.528 3.428 1.00 1.34 H new ATOM 0 HD22 LEU A 789 -0.629 6.822 4.189 1.00 1.34 H new ATOM 0 HD23 LEU A 789 -0.122 6.146 2.623 1.00 1.34 H new ATOM 1279 N ARG A 790 4.749 5.473 3.816 1.00 52.44 N ATOM 1280 CA ARG A 790 6.134 5.836 4.098 1.00 5.01 C ATOM 1281 C ARG A 790 6.712 6.711 2.987 1.00 50.22 C ATOM 1282 O ARG A 790 7.506 7.613 3.254 1.00 3.23 O ATOM 1283 CB ARG A 790 6.985 4.584 4.286 1.00 62.54 C ATOM 1284 CG ARG A 790 6.818 3.944 5.653 1.00 14.33 C ATOM 1285 CD ARG A 790 6.674 2.436 5.555 1.00 31.24 C ATOM 1286 NE ARG A 790 7.807 1.797 4.885 1.00 43.11 N ATOM 1287 CZ ARG A 790 7.893 0.482 4.677 1.00 63.33 C ATOM 1288 NH1 ARG A 790 6.917 -0.320 5.082 1.00 43.32 N ATOM 1289 NH2 ARG A 790 8.951 -0.031 4.055 1.00 40.33 N ATOM 0 H ARG A 790 4.584 4.468 3.752 1.00 52.44 H new ATOM 0 HA ARG A 790 6.149 6.412 5.023 1.00 5.01 H new ATOM 0 HB2 ARG A 790 6.723 3.857 3.518 1.00 62.54 H new ATOM 0 HB3 ARG A 790 8.034 4.841 4.138 1.00 62.54 H new ATOM 0 HG2 ARG A 790 7.679 4.187 6.276 1.00 14.33 H new ATOM 0 HG3 ARG A 790 5.940 4.362 6.145 1.00 14.33 H new ATOM 0 HD2 ARG A 790 6.570 2.020 6.557 1.00 31.24 H new ATOM 0 HD3 ARG A 790 5.758 2.198 5.015 1.00 31.24 H new ATOM 0 HE ARG A 790 8.572 2.388 4.560 1.00 43.11 H new ATOM 0 HH11 ARG A 790 6.100 0.069 5.553 1.00 43.32 H new ATOM 0 HH12 ARG A 790 6.984 -1.325 4.922 1.00 43.32 H new ATOM 0 HH21 ARG A 790 9.701 0.582 3.735 1.00 40.33 H new ATOM 0 HH22 ARG A 790 9.012 -1.037 3.898 1.00 40.33 H new ATOM 1303 N VAL A 791 6.306 6.444 1.748 1.00 40.41 N ATOM 1304 CA VAL A 791 6.712 7.275 0.617 1.00 55.51 C ATOM 1305 C VAL A 791 6.108 8.665 0.757 1.00 72.22 C ATOM 1306 O VAL A 791 6.814 9.665 0.706 1.00 24.02 O ATOM 1307 CB VAL A 791 6.271 6.676 -0.738 1.00 4.13 C ATOM 1308 CG1 VAL A 791 6.755 7.540 -1.893 1.00 21.21 C ATOM 1309 CG2 VAL A 791 6.775 5.254 -0.897 1.00 50.31 C ATOM 0 H VAL A 791 5.699 5.662 1.502 1.00 40.41 H new ATOM 0 HA VAL A 791 7.801 7.324 0.629 1.00 55.51 H new ATOM 0 HB VAL A 791 5.181 6.655 -0.753 1.00 4.13 H new ATOM 0 HG11 VAL A 791 6.433 7.099 -2.837 1.00 21.21 H new ATOM 0 HG12 VAL A 791 6.336 8.542 -1.799 1.00 21.21 H new ATOM 0 HG13 VAL A 791 7.843 7.599 -1.872 1.00 21.21 H new ATOM 0 HG21 VAL A 791 6.450 4.858 -1.859 1.00 50.31 H new ATOM 0 HG22 VAL A 791 7.864 5.247 -0.851 1.00 50.31 H new ATOM 0 HG23 VAL A 791 6.374 4.634 -0.095 1.00 50.31 H new ATOM 1319 N LEU A 792 4.795 8.704 0.958 1.00 61.20 N ATOM 1320 CA LEU A 792 4.059 9.961 1.090 1.00 61.41 C ATOM 1321 C LEU A 792 4.628 10.798 2.231 1.00 65.24 C ATOM 1322 O LEU A 792 4.904 11.990 2.070 1.00 73.44 O ATOM 1323 CB LEU A 792 2.584 9.667 1.359 1.00 31.02 C ATOM 1324 CG LEU A 792 1.952 8.639 0.420 1.00 64.13 C ATOM 1325 CD1 LEU A 792 0.523 8.348 0.838 1.00 75.54 C ATOM 1326 CD2 LEU A 792 2.007 9.123 -1.020 1.00 32.04 C ATOM 0 H LEU A 792 4.211 7.871 1.034 1.00 61.20 H new ATOM 0 HA LEU A 792 4.158 10.522 0.161 1.00 61.41 H new ATOM 0 HB2 LEU A 792 2.480 9.313 2.385 1.00 31.02 H new ATOM 0 HB3 LEU A 792 2.023 10.599 1.285 1.00 31.02 H new ATOM 0 HG LEU A 792 2.523 7.713 0.487 1.00 64.13 H new ATOM 0 HD11 LEU A 792 0.088 7.614 0.159 1.00 75.54 H new ATOM 0 HD12 LEU A 792 0.514 7.953 1.854 1.00 75.54 H new ATOM 0 HD13 LEU A 792 -0.061 9.268 0.802 1.00 75.54 H new ATOM 0 HD21 LEU A 792 1.552 8.377 -1.672 1.00 32.04 H new ATOM 0 HD22 LEU A 792 1.463 10.063 -1.109 1.00 32.04 H new ATOM 0 HD23 LEU A 792 3.046 9.276 -1.313 1.00 32.04 H new ATOM 1338 N ILE A 793 4.798 10.155 3.379 1.00 0.13 N ATOM 1339 CA ILE A 793 5.370 10.794 4.551 1.00 1.00 C ATOM 1340 C ILE A 793 6.784 11.293 4.259 1.00 62.00 C ATOM 1341 O ILE A 793 7.092 12.460 4.481 1.00 43.41 O ATOM 1342 CB ILE A 793 5.391 9.820 5.751 1.00 1.22 C ATOM 1343 CG1 ILE A 793 3.957 9.452 6.149 1.00 41.33 C ATOM 1344 CG2 ILE A 793 6.135 10.432 6.931 1.00 30.43 C ATOM 1345 CD1 ILE A 793 3.869 8.280 7.104 1.00 74.34 C ATOM 0 H ILE A 793 4.543 9.178 3.521 1.00 0.13 H new ATOM 0 HA ILE A 793 4.743 11.649 4.806 1.00 1.00 H new ATOM 0 HB ILE A 793 5.919 8.913 5.456 1.00 1.22 H new ATOM 0 HG12 ILE A 793 3.484 10.320 6.609 1.00 41.33 H new ATOM 0 HG13 ILE A 793 3.389 9.218 5.249 1.00 41.33 H new ATOM 0 HG21 ILE A 793 6.137 9.729 7.764 1.00 30.43 H new ATOM 0 HG22 ILE A 793 7.162 10.652 6.639 1.00 30.43 H new ATOM 0 HG23 ILE A 793 5.639 11.354 7.235 1.00 30.43 H new ATOM 0 HD11 ILE A 793 2.824 8.080 7.339 1.00 74.34 H new ATOM 0 HD12 ILE A 793 4.312 7.399 6.640 1.00 74.34 H new ATOM 0 HD13 ILE A 793 4.408 8.517 8.021 1.00 74.34 H new ATOM 1357 N GLY A 794 7.625 10.408 3.729 1.00 43.31 N ATOM 1358 CA GLY A 794 9.001 10.768 3.431 1.00 12.14 C ATOM 1359 C GLY A 794 9.106 11.881 2.404 1.00 73.24 C ATOM 1360 O GLY A 794 9.937 12.782 2.534 1.00 10.13 O ATOM 0 H GLY A 794 7.377 9.445 3.500 1.00 43.31 H new ATOM 0 HA2 GLY A 794 9.498 11.079 4.350 1.00 12.14 H new ATOM 0 HA3 GLY A 794 9.531 9.889 3.064 1.00 12.14 H new ATOM 1364 N GLU A 795 8.258 11.819 1.385 1.00 21.33 N ATOM 1365 CA GLU A 795 8.226 12.837 0.347 1.00 25.40 C ATOM 1366 C GLU A 795 7.905 14.205 0.927 1.00 55.31 C ATOM 1367 O GLU A 795 8.654 15.156 0.725 1.00 73.21 O ATOM 1368 CB GLU A 795 7.203 12.475 -0.733 1.00 3.14 C ATOM 1369 CG GLU A 795 7.715 11.462 -1.743 1.00 33.34 C ATOM 1370 CD GLU A 795 8.839 12.019 -2.588 1.00 60.21 C ATOM 1371 OE1 GLU A 795 8.548 12.658 -3.621 1.00 61.33 O ATOM 1372 OE2 GLU A 795 10.019 11.848 -2.213 1.00 62.14 O ATOM 0 H GLU A 795 7.580 11.068 1.257 1.00 21.33 H new ATOM 0 HA GLU A 795 9.217 12.879 -0.104 1.00 25.40 H new ATOM 0 HB2 GLU A 795 6.308 12.078 -0.255 1.00 3.14 H new ATOM 0 HB3 GLU A 795 6.907 13.382 -1.260 1.00 3.14 H new ATOM 0 HG2 GLU A 795 8.063 10.572 -1.219 1.00 33.34 H new ATOM 0 HG3 GLU A 795 6.895 11.150 -2.391 1.00 33.34 H new ATOM 1379 N ASN A 796 6.812 14.292 1.673 1.00 20.12 N ATOM 1380 CA ASN A 796 6.353 15.568 2.218 1.00 43.44 C ATOM 1381 C ASN A 796 7.277 16.053 3.335 1.00 44.21 C ATOM 1382 O ASN A 796 7.432 17.256 3.551 1.00 50.13 O ATOM 1383 CB ASN A 796 4.927 15.427 2.743 1.00 22.53 C ATOM 1384 CG ASN A 796 4.220 16.760 2.884 1.00 72.44 C ATOM 1385 OD1 ASN A 796 4.310 17.423 3.915 1.00 64.33 O ATOM 1386 ND2 ASN A 796 3.491 17.149 1.850 1.00 21.13 N ATOM 0 H ASN A 796 6.224 13.495 1.916 1.00 20.12 H new ATOM 0 HA ASN A 796 6.371 16.307 1.417 1.00 43.44 H new ATOM 0 HB2 ASN A 796 4.357 14.788 2.068 1.00 22.53 H new ATOM 0 HB3 ASN A 796 4.949 14.928 3.712 1.00 22.53 H new ATOM 0 HD21 ASN A 796 2.977 18.029 1.891 1.00 21.13 H new ATOM 0 HD22 ASN A 796 3.443 16.569 1.013 1.00 21.13 H new