USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 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 775 HIS : no HE2:sc= -0.719! C(o=-1.3!,f=-6.8!) USER MOD Set 1.2: A 779 GLN : amide:sc= -0.536 K(o=-1.3,f=-6.2!) USER MOD Set 2.1: A 724 ASN : amide:sc= -0.0369 X(o=0.049,f=0.068) USER MOD Set 2.2: A 725 THR OG1 : rot 180:sc= 0.0858 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD Single : A 726 ASN : amide:sc= -0.302 K(o=-0.3,f=-13!) 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= -0.0698 X(o=-0.07,f=-0.051) USER MOD Single : A 745 LYS NZ :NH3+ -117:sc= 0.331 (180deg=-2.1!) USER MOD Single : A 749 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 750 SER OG : rot 74:sc= 1.28 USER MOD Single : A 754 HIS : no HD1:sc= -2.02 X(o=-2,f=-1.7) USER MOD Single : A 757 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.11) USER MOD Single : A 760 TYR OH : rot 180:sc= -0.427 USER MOD Single : A 761 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : A 763 LYS NZ :NH3+ -142:sc= 0.924 (180deg=0.0728) USER MOD Single : A 773 CYS SG : rot 180:sc= -0.0545 USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 782 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 796 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.026 14.951 7.160 1.00 62.42 N ATOM 148 CA ILE A 716 0.901 13.803 6.952 1.00 74.23 C ATOM 149 C ILE A 716 1.090 13.005 8.240 1.00 14.54 C ATOM 150 O ILE A 716 1.259 11.780 8.210 1.00 44.30 O ATOM 151 CB ILE A 716 2.267 14.252 6.392 1.00 2.53 C ATOM 152 CG1 ILE A 716 2.073 14.924 5.031 1.00 14.00 C ATOM 153 CG2 ILE A 716 3.233 13.084 6.277 1.00 20.40 C ATOM 154 CD1 ILE A 716 1.423 14.030 3.992 1.00 72.33 C ATOM 0 HA ILE A 716 0.421 13.152 6.221 1.00 74.23 H new ATOM 0 HB ILE A 716 2.702 14.969 7.088 1.00 2.53 H new ATOM 0 HG12 ILE A 716 1.462 15.817 5.161 1.00 14.00 H new ATOM 0 HG13 ILE A 716 3.043 15.253 4.658 1.00 14.00 H new ATOM 0 HG21 ILE A 716 4.185 13.437 5.879 1.00 20.40 H new ATOM 0 HG22 ILE A 716 3.392 12.645 7.262 1.00 20.40 H new ATOM 0 HG23 ILE A 716 2.816 12.332 5.607 1.00 20.40 H new ATOM 0 HD11 ILE A 716 1.319 14.577 3.055 1.00 72.33 H new ATOM 0 HD12 ILE A 716 2.044 13.149 3.831 1.00 72.33 H new ATOM 0 HD13 ILE A 716 0.438 13.721 4.343 1.00 72.33 H new ATOM 166 N GLY A 717 1.027 13.696 9.373 1.00 43.30 N ATOM 167 CA GLY A 717 1.133 13.032 10.660 1.00 71.22 C ATOM 168 C GLY A 717 0.048 11.991 10.853 1.00 23.31 C ATOM 169 O GLY A 717 0.217 11.033 11.609 1.00 72.34 O ATOM 0 H GLY A 717 0.904 14.707 9.423 1.00 43.30 H new ATOM 0 HA2 GLY A 717 2.110 12.557 10.743 1.00 71.22 H new ATOM 0 HA3 GLY A 717 1.070 13.773 11.457 1.00 71.22 H new ATOM 173 N GLU A 718 -1.062 12.168 10.147 1.00 61.13 N ATOM 174 CA GLU A 718 -2.168 11.234 10.222 1.00 15.25 C ATOM 175 C GLU A 718 -1.816 9.924 9.533 1.00 75.12 C ATOM 176 O GLU A 718 -2.207 8.856 9.991 1.00 33.44 O ATOM 177 CB GLU A 718 -3.419 11.835 9.590 1.00 31.23 C ATOM 178 CG GLU A 718 -3.825 13.160 10.208 1.00 61.41 C ATOM 179 CD GLU A 718 -5.128 13.677 9.650 1.00 71.25 C ATOM 180 OE1 GLU A 718 -5.124 14.220 8.531 1.00 31.41 O ATOM 181 OE2 GLU A 718 -6.168 13.527 10.324 1.00 31.44 O ATOM 0 H GLU A 718 -1.216 12.954 9.515 1.00 61.13 H new ATOM 0 HA GLU A 718 -2.367 11.031 11.274 1.00 15.25 H new ATOM 0 HB2 GLU A 718 -3.247 11.977 8.523 1.00 31.23 H new ATOM 0 HB3 GLU A 718 -4.243 11.128 9.688 1.00 31.23 H new ATOM 0 HG2 GLU A 718 -3.916 13.042 11.288 1.00 61.41 H new ATOM 0 HG3 GLU A 718 -3.040 13.896 10.033 1.00 61.41 H new ATOM 188 N LEU A 719 -1.061 10.005 8.442 1.00 72.53 N ATOM 189 CA LEU A 719 -0.639 8.806 7.720 1.00 43.15 C ATOM 190 C LEU A 719 0.247 7.946 8.616 1.00 32.22 C ATOM 191 O LEU A 719 0.222 6.719 8.542 1.00 32.32 O ATOM 192 CB LEU A 719 0.102 9.157 6.421 1.00 41.43 C ATOM 193 CG LEU A 719 -0.768 9.684 5.266 1.00 21.21 C ATOM 194 CD1 LEU A 719 -1.967 8.782 5.030 1.00 64.12 C ATOM 195 CD2 LEU A 719 -1.221 11.111 5.520 1.00 43.32 C ATOM 0 H LEU A 719 -0.730 10.882 8.039 1.00 72.53 H new ATOM 0 HA LEU A 719 -1.534 8.246 7.448 1.00 43.15 H new ATOM 0 HB2 LEU A 719 0.859 9.907 6.650 1.00 41.43 H new ATOM 0 HB3 LEU A 719 0.629 8.267 6.075 1.00 41.43 H new ATOM 0 HG LEU A 719 -0.152 9.680 4.367 1.00 21.21 H new ATOM 0 HD11 LEU A 719 -2.564 9.178 4.209 1.00 64.12 H new ATOM 0 HD12 LEU A 719 -1.624 7.779 4.778 1.00 64.12 H new ATOM 0 HD13 LEU A 719 -2.575 8.741 5.934 1.00 64.12 H new ATOM 0 HD21 LEU A 719 -1.833 11.452 4.685 1.00 43.32 H new ATOM 0 HD22 LEU A 719 -1.806 11.149 6.439 1.00 43.32 H new ATOM 0 HD23 LEU A 719 -0.349 11.757 5.619 1.00 43.32 H new ATOM 207 N VAL A 720 1.011 8.605 9.481 1.00 3.45 N ATOM 208 CA VAL A 720 1.825 7.908 10.471 1.00 65.14 C ATOM 209 C VAL A 720 0.927 7.136 11.445 1.00 21.55 C ATOM 210 O VAL A 720 1.232 6.009 11.841 1.00 71.21 O ATOM 211 CB VAL A 720 2.716 8.890 11.264 1.00 64.23 C ATOM 212 CG1 VAL A 720 3.613 8.146 12.242 1.00 62.20 C ATOM 213 CG2 VAL A 720 3.548 9.747 10.322 1.00 33.03 C ATOM 0 H VAL A 720 1.084 9.622 9.517 1.00 3.45 H new ATOM 0 HA VAL A 720 2.471 7.213 9.935 1.00 65.14 H new ATOM 0 HB VAL A 720 2.061 9.547 11.837 1.00 64.23 H new ATOM 0 HG11 VAL A 720 4.229 8.861 12.787 1.00 62.20 H new ATOM 0 HG12 VAL A 720 2.998 7.586 12.947 1.00 62.20 H new ATOM 0 HG13 VAL A 720 4.255 7.457 11.694 1.00 62.20 H new ATOM 0 HG21 VAL A 720 4.167 10.430 10.903 1.00 33.03 H new ATOM 0 HG22 VAL A 720 4.187 9.105 9.715 1.00 33.03 H new ATOM 0 HG23 VAL A 720 2.887 10.320 9.672 1.00 33.03 H new ATOM 223 N ARG A 721 -0.197 7.747 11.802 1.00 34.12 N ATOM 224 CA ARG A 721 -1.161 7.117 12.695 1.00 3.32 C ATOM 225 C ARG A 721 -1.799 5.908 12.009 1.00 51.33 C ATOM 226 O ARG A 721 -2.131 4.913 12.655 1.00 25.33 O ATOM 227 CB ARG A 721 -2.226 8.139 13.130 1.00 51.23 C ATOM 228 CG ARG A 721 -3.612 7.915 12.538 1.00 5.54 C ATOM 229 CD ARG A 721 -4.526 9.101 12.802 1.00 23.50 C ATOM 230 NE ARG A 721 -5.903 8.833 12.400 1.00 23.14 N ATOM 231 CZ ARG A 721 -6.688 9.719 11.785 1.00 24.52 C ATOM 232 NH1 ARG A 721 -6.233 10.934 11.502 1.00 32.53 N ATOM 233 NH2 ARG A 721 -7.935 9.390 11.473 1.00 20.12 N ATOM 0 H ARG A 721 -0.463 8.680 11.486 1.00 34.12 H new ATOM 0 HA ARG A 721 -0.647 6.765 13.589 1.00 3.32 H new ATOM 0 HB2 ARG A 721 -2.304 8.120 14.217 1.00 51.23 H new ATOM 0 HB3 ARG A 721 -1.886 9.137 12.853 1.00 51.23 H new ATOM 0 HG2 ARG A 721 -3.528 7.750 11.464 1.00 5.54 H new ATOM 0 HG3 ARG A 721 -4.051 7.013 12.966 1.00 5.54 H new ATOM 0 HD2 ARG A 721 -4.500 9.349 13.863 1.00 23.50 H new ATOM 0 HD3 ARG A 721 -4.154 9.972 12.262 1.00 23.50 H new ATOM 0 HE ARG A 721 -6.289 7.911 12.602 1.00 23.14 H new ATOM 0 HH11 ARG A 721 -5.279 11.193 11.755 1.00 32.53 H new ATOM 0 HH12 ARG A 721 -6.837 11.608 11.032 1.00 32.53 H new ATOM 0 HH21 ARG A 721 -8.291 8.462 11.703 1.00 20.12 H new ATOM 0 HH22 ARG A 721 -8.538 10.065 11.003 1.00 20.12 H new ATOM 247 N TYR A 722 -1.948 5.992 10.691 1.00 33.53 N ATOM 248 CA TYR A 722 -2.482 4.883 9.918 1.00 3.24 C ATOM 249 C TYR A 722 -1.478 3.742 9.848 1.00 41.22 C ATOM 250 O TYR A 722 -1.862 2.581 9.830 1.00 24.42 O ATOM 251 CB TYR A 722 -2.885 5.334 8.515 1.00 62.42 C ATOM 252 CG TYR A 722 -4.167 6.133 8.490 1.00 23.22 C ATOM 253 CD1 TYR A 722 -5.396 5.509 8.677 1.00 45.43 C ATOM 254 CD2 TYR A 722 -4.154 7.502 8.277 1.00 21.32 C ATOM 255 CE1 TYR A 722 -6.572 6.230 8.650 1.00 41.21 C ATOM 256 CE2 TYR A 722 -5.325 8.231 8.252 1.00 13.30 C ATOM 257 CZ TYR A 722 -6.533 7.592 8.439 1.00 1.44 C ATOM 258 OH TYR A 722 -7.704 8.316 8.412 1.00 3.30 O ATOM 0 H TYR A 722 -1.706 6.815 10.140 1.00 33.53 H new ATOM 0 HA TYR A 722 -3.377 4.522 10.425 1.00 3.24 H new ATOM 0 HB2 TYR A 722 -2.082 5.935 8.089 1.00 62.42 H new ATOM 0 HB3 TYR A 722 -2.999 4.457 7.878 1.00 62.42 H new ATOM 0 HD1 TYR A 722 -5.430 4.443 8.846 1.00 45.43 H new ATOM 0 HD2 TYR A 722 -3.211 8.007 8.128 1.00 21.32 H new ATOM 0 HE1 TYR A 722 -7.518 5.730 8.793 1.00 41.21 H new ATOM 0 HE2 TYR A 722 -5.296 9.298 8.087 1.00 13.30 H new ATOM 0 HH TYR A 722 -7.500 9.262 8.254 1.00 3.30 H new ATOM 268 N LEU A 723 -0.193 4.080 9.832 1.00 23.44 N ATOM 269 CA LEU A 723 0.861 3.069 9.896 1.00 73.43 C ATOM 270 C LEU A 723 0.686 2.206 11.139 1.00 25.13 C ATOM 271 O LEU A 723 0.994 1.013 11.137 1.00 70.31 O ATOM 272 CB LEU A 723 2.243 3.727 9.920 1.00 51.20 C ATOM 273 CG LEU A 723 2.627 4.487 8.655 1.00 74.11 C ATOM 274 CD1 LEU A 723 3.953 5.205 8.853 1.00 15.41 C ATOM 275 CD2 LEU A 723 2.708 3.537 7.472 1.00 33.43 C ATOM 0 H LEU A 723 0.145 5.041 9.776 1.00 23.44 H new ATOM 0 HA LEU A 723 0.786 2.443 9.007 1.00 73.43 H new ATOM 0 HB2 LEU A 723 2.284 4.416 10.764 1.00 51.20 H new ATOM 0 HB3 LEU A 723 2.991 2.955 10.101 1.00 51.20 H new ATOM 0 HG LEU A 723 1.858 5.231 8.448 1.00 74.11 H new ATOM 0 HD11 LEU A 723 4.215 5.743 7.942 1.00 15.41 H new ATOM 0 HD12 LEU A 723 3.865 5.911 9.679 1.00 15.41 H new ATOM 0 HD13 LEU A 723 4.731 4.476 9.080 1.00 15.41 H new ATOM 0 HD21 LEU A 723 2.983 4.094 6.576 1.00 33.43 H new ATOM 0 HD22 LEU A 723 3.460 2.773 7.670 1.00 33.43 H new ATOM 0 HD23 LEU A 723 1.739 3.061 7.320 1.00 33.43 H new ATOM 287 N ASN A 724 0.192 2.826 12.201 1.00 45.15 N ATOM 288 CA ASN A 724 -0.082 2.124 13.448 1.00 3.34 C ATOM 289 C ASN A 724 -1.380 1.319 13.369 1.00 50.02 C ATOM 290 O ASN A 724 -1.412 0.139 13.721 1.00 24.11 O ATOM 291 CB ASN A 724 -0.160 3.124 14.607 1.00 73.04 C ATOM 292 CG ASN A 724 -0.615 2.486 15.908 1.00 5.23 C ATOM 293 OD1 ASN A 724 0.195 1.972 16.679 1.00 40.44 O ATOM 294 ND2 ASN A 724 -1.914 2.532 16.166 1.00 13.53 N ATOM 0 H ASN A 724 -0.029 3.822 12.224 1.00 45.15 H new ATOM 0 HA ASN A 724 0.736 1.425 13.622 1.00 3.34 H new ATOM 0 HB2 ASN A 724 0.820 3.579 14.754 1.00 73.04 H new ATOM 0 HB3 ASN A 724 -0.848 3.927 14.342 1.00 73.04 H new ATOM 0 HD21 ASN A 724 -2.277 2.132 17.031 1.00 13.53 H new ATOM 0 HD22 ASN A 724 -2.551 2.968 15.499 1.00 13.53 H new ATOM 301 N THR A 725 -2.444 1.957 12.898 1.00 64.24 N ATOM 302 CA THR A 725 -3.771 1.353 12.935 1.00 53.24 C ATOM 303 C THR A 725 -4.102 0.586 11.647 1.00 3.33 C ATOM 304 O THR A 725 -4.215 -0.642 11.663 1.00 53.41 O ATOM 305 CB THR A 725 -4.841 2.427 13.208 1.00 24.44 C ATOM 306 OG1 THR A 725 -4.489 3.154 14.395 1.00 45.32 O ATOM 307 CG2 THR A 725 -6.217 1.802 13.385 1.00 51.22 C ATOM 0 H THR A 725 -2.415 2.890 12.487 1.00 64.24 H new ATOM 0 HA THR A 725 -3.771 0.628 13.749 1.00 53.24 H new ATOM 0 HB THR A 725 -4.881 3.100 12.351 1.00 24.44 H new ATOM 0 HG1 THR A 725 -5.167 3.840 14.572 1.00 45.32 H new ATOM 0 HG21 THR A 725 -6.951 2.585 13.576 1.00 51.22 H new ATOM 0 HG22 THR A 725 -6.491 1.262 12.479 1.00 51.22 H new ATOM 0 HG23 THR A 725 -6.197 1.110 14.227 1.00 51.22 H new ATOM 315 N ASN A 726 -4.260 1.299 10.537 1.00 23.31 N ATOM 316 CA ASN A 726 -4.617 0.669 9.268 1.00 31.42 C ATOM 317 C ASN A 726 -3.967 1.410 8.104 1.00 0.34 C ATOM 318 O ASN A 726 -4.423 2.487 7.711 1.00 53.44 O ATOM 319 CB ASN A 726 -6.141 0.640 9.079 1.00 40.12 C ATOM 320 CG ASN A 726 -6.580 -0.138 7.842 1.00 35.23 C ATOM 321 OD1 ASN A 726 -5.861 -0.230 6.849 1.00 42.20 O ATOM 322 ND2 ASN A 726 -7.778 -0.695 7.883 1.00 73.45 N ATOM 0 H ASN A 726 -4.147 2.312 10.489 1.00 23.31 H new ATOM 0 HA ASN A 726 -4.249 -0.357 9.288 1.00 31.42 H new ATOM 0 HB2 ASN A 726 -6.601 0.196 9.962 1.00 40.12 H new ATOM 0 HB3 ASN A 726 -6.511 1.663 9.007 1.00 40.12 H new ATOM 0 HD21 ASN A 726 -8.126 -1.216 7.078 1.00 73.45 H new ATOM 0 HD22 ASN A 726 -8.355 -0.604 8.719 1.00 73.45 H new ATOM 329 N PRO A 727 -2.887 0.846 7.549 1.00 21.35 N ATOM 330 CA PRO A 727 -2.175 1.442 6.416 1.00 74.53 C ATOM 331 C PRO A 727 -3.055 1.535 5.171 1.00 73.13 C ATOM 332 O PRO A 727 -3.000 2.520 4.431 1.00 72.44 O ATOM 333 CB PRO A 727 -1.004 0.482 6.172 1.00 12.13 C ATOM 334 CG PRO A 727 -1.401 -0.797 6.826 1.00 43.24 C ATOM 335 CD PRO A 727 -2.265 -0.414 7.991 1.00 23.41 C ATOM 0 HA PRO A 727 -1.861 2.464 6.627 1.00 74.53 H new ATOM 0 HB2 PRO A 727 -0.827 0.340 5.106 1.00 12.13 H new ATOM 0 HB3 PRO A 727 -0.080 0.872 6.599 1.00 12.13 H new ATOM 0 HG2 PRO A 727 -1.944 -1.438 6.132 1.00 43.24 H new ATOM 0 HG3 PRO A 727 -0.525 -1.355 7.157 1.00 43.24 H new ATOM 0 HD2 PRO A 727 -3.012 -1.178 8.207 1.00 23.41 H new ATOM 0 HD3 PRO A 727 -1.678 -0.277 8.899 1.00 23.41 H new ATOM 343 N VAL A 728 -3.879 0.511 4.961 1.00 12.13 N ATOM 344 CA VAL A 728 -4.745 0.440 3.790 1.00 43.04 C ATOM 345 C VAL A 728 -5.742 1.591 3.789 1.00 34.24 C ATOM 346 O VAL A 728 -5.913 2.278 2.782 1.00 3.44 O ATOM 347 CB VAL A 728 -5.508 -0.902 3.728 1.00 30.22 C ATOM 348 CG1 VAL A 728 -6.344 -0.992 2.458 1.00 23.25 C ATOM 349 CG2 VAL A 728 -4.540 -2.073 3.815 1.00 54.03 C ATOM 0 H VAL A 728 -3.964 -0.286 5.592 1.00 12.13 H new ATOM 0 HA VAL A 728 -4.105 0.514 2.911 1.00 43.04 H new ATOM 0 HB VAL A 728 -6.183 -0.948 4.583 1.00 30.22 H new ATOM 0 HG11 VAL A 728 -6.872 -1.945 2.437 1.00 23.25 H new ATOM 0 HG12 VAL A 728 -7.067 -0.176 2.440 1.00 23.25 H new ATOM 0 HG13 VAL A 728 -5.692 -0.919 1.587 1.00 23.25 H new ATOM 0 HG21 VAL A 728 -5.096 -3.009 3.770 1.00 54.03 H new ATOM 0 HG22 VAL A 728 -3.838 -2.027 2.982 1.00 54.03 H new ATOM 0 HG23 VAL A 728 -3.991 -2.022 4.755 1.00 54.03 H new ATOM 359 N GLY A 729 -6.379 1.806 4.934 1.00 3.21 N ATOM 360 CA GLY A 729 -7.334 2.886 5.059 1.00 3.32 C ATOM 361 C GLY A 729 -6.680 4.234 4.858 1.00 1.11 C ATOM 362 O GLY A 729 -7.250 5.118 4.224 1.00 23.43 O ATOM 0 H GLY A 729 -6.249 1.249 5.779 1.00 3.21 H new ATOM 0 HA2 GLY A 729 -8.130 2.755 4.326 1.00 3.32 H new ATOM 0 HA3 GLY A 729 -7.798 2.850 6.045 1.00 3.32 H new ATOM 366 N GLY A 730 -5.466 4.376 5.379 1.00 11.20 N ATOM 367 CA GLY A 730 -4.742 5.626 5.259 1.00 3.44 C ATOM 368 C GLY A 730 -4.366 5.949 3.829 1.00 74.12 C ATOM 369 O GLY A 730 -4.497 7.092 3.392 1.00 61.41 O ATOM 0 H GLY A 730 -4.969 3.643 5.885 1.00 11.20 H new ATOM 0 HA2 GLY A 730 -5.352 6.435 5.661 1.00 3.44 H new ATOM 0 HA3 GLY A 730 -3.838 5.577 5.866 1.00 3.44 H new ATOM 373 N LEU A 731 -3.903 4.942 3.102 1.00 11.33 N ATOM 374 CA LEU A 731 -3.510 5.115 1.708 1.00 74.34 C ATOM 375 C LEU A 731 -4.716 5.547 0.875 1.00 55.53 C ATOM 376 O LEU A 731 -4.630 6.473 0.064 1.00 22.44 O ATOM 377 CB LEU A 731 -2.899 3.802 1.179 1.00 62.13 C ATOM 378 CG LEU A 731 -2.195 3.866 -0.187 1.00 44.13 C ATOM 379 CD1 LEU A 731 -3.198 3.797 -1.327 1.00 13.42 C ATOM 380 CD2 LEU A 731 -1.354 5.130 -0.299 1.00 13.33 C ATOM 0 H LEU A 731 -3.789 3.992 3.455 1.00 11.33 H new ATOM 0 HA LEU A 731 -2.756 5.898 1.631 1.00 74.34 H new ATOM 0 HB2 LEU A 731 -2.181 3.441 1.915 1.00 62.13 H new ATOM 0 HB3 LEU A 731 -3.693 3.058 1.117 1.00 62.13 H new ATOM 0 HG LEU A 731 -1.537 3.000 -0.262 1.00 44.13 H new ATOM 0 HD11 LEU A 731 -2.670 3.845 -2.279 1.00 13.42 H new ATOM 0 HD12 LEU A 731 -3.754 2.861 -1.266 1.00 13.42 H new ATOM 0 HD13 LEU A 731 -3.890 4.636 -1.254 1.00 13.42 H new ATOM 0 HD21 LEU A 731 -0.864 5.156 -1.272 1.00 13.33 H new ATOM 0 HD22 LEU A 731 -1.996 6.005 -0.192 1.00 13.33 H new ATOM 0 HD23 LEU A 731 -0.599 5.136 0.487 1.00 13.33 H new ATOM 392 N LEU A 732 -5.844 4.889 1.100 1.00 72.22 N ATOM 393 CA LEU A 732 -7.068 5.204 0.378 1.00 4.20 C ATOM 394 C LEU A 732 -7.593 6.584 0.772 1.00 3.33 C ATOM 395 O LEU A 732 -8.100 7.330 -0.068 1.00 23.10 O ATOM 396 CB LEU A 732 -8.131 4.134 0.642 1.00 51.44 C ATOM 397 CG LEU A 732 -7.733 2.714 0.231 1.00 51.35 C ATOM 398 CD1 LEU A 732 -8.812 1.720 0.622 1.00 11.35 C ATOM 399 CD2 LEU A 732 -7.466 2.644 -1.265 1.00 2.11 C ATOM 0 H LEU A 732 -5.937 4.133 1.778 1.00 72.22 H new ATOM 0 HA LEU A 732 -6.841 5.218 -0.688 1.00 4.20 H new ATOM 0 HB2 LEU A 732 -8.370 4.135 1.705 1.00 51.44 H new ATOM 0 HB3 LEU A 732 -9.042 4.409 0.110 1.00 51.44 H new ATOM 0 HG LEU A 732 -6.816 2.452 0.759 1.00 51.35 H new ATOM 0 HD11 LEU A 732 -8.509 0.717 0.321 1.00 11.35 H new ATOM 0 HD12 LEU A 732 -8.957 1.746 1.702 1.00 11.35 H new ATOM 0 HD13 LEU A 732 -9.746 1.982 0.124 1.00 11.35 H new ATOM 0 HD21 LEU A 732 -7.185 1.627 -1.537 1.00 2.11 H new ATOM 0 HD22 LEU A 732 -8.366 2.929 -1.809 1.00 2.11 H new ATOM 0 HD23 LEU A 732 -6.655 3.326 -1.522 1.00 2.11 H new ATOM 411 N GLU A 733 -7.450 6.928 2.047 1.00 21.51 N ATOM 412 CA GLU A 733 -7.900 8.189 2.569 1.00 70.23 C ATOM 413 C GLU A 733 -7.039 9.335 2.039 1.00 12.12 C ATOM 414 O GLU A 733 -7.558 10.379 1.642 1.00 1.42 O ATOM 415 CB GLU A 733 -7.834 8.090 4.082 1.00 40.15 C ATOM 416 CG GLU A 733 -7.984 9.392 4.802 1.00 24.34 C ATOM 417 CD GLU A 733 -9.418 9.879 4.845 1.00 71.50 C ATOM 418 OE1 GLU A 733 -10.149 9.504 5.785 1.00 11.34 O ATOM 419 OE2 GLU A 733 -9.825 10.631 3.941 1.00 10.14 O ATOM 0 H GLU A 733 -7.013 6.326 2.744 1.00 21.51 H new ATOM 0 HA GLU A 733 -8.920 8.403 2.251 1.00 70.23 H new ATOM 0 HB2 GLU A 733 -8.615 7.410 4.422 1.00 40.15 H new ATOM 0 HB3 GLU A 733 -6.880 7.644 4.362 1.00 40.15 H new ATOM 0 HG2 GLU A 733 -7.612 9.283 5.821 1.00 24.34 H new ATOM 0 HG3 GLU A 733 -7.364 10.145 4.315 1.00 24.34 H new ATOM 426 N TYR A 734 -5.726 9.128 2.021 1.00 43.24 N ATOM 427 CA TYR A 734 -4.796 10.112 1.478 1.00 62.44 C ATOM 428 C TYR A 734 -5.175 10.466 0.046 1.00 1.40 C ATOM 429 O TYR A 734 -5.263 11.642 -0.314 1.00 34.21 O ATOM 430 CB TYR A 734 -3.360 9.568 1.526 1.00 42.13 C ATOM 431 CG TYR A 734 -2.414 10.228 0.546 1.00 52.50 C ATOM 432 CD1 TYR A 734 -1.755 11.412 0.855 1.00 32.24 C ATOM 433 CD2 TYR A 734 -2.189 9.659 -0.700 1.00 22.44 C ATOM 434 CE1 TYR A 734 -0.897 12.007 -0.053 1.00 3.03 C ATOM 435 CE2 TYR A 734 -1.335 10.248 -1.613 1.00 55.21 C ATOM 436 CZ TYR A 734 -0.691 11.422 -1.286 1.00 22.31 C ATOM 437 OH TYR A 734 0.156 12.016 -2.196 1.00 64.50 O ATOM 0 H TYR A 734 -5.280 8.283 2.378 1.00 43.24 H new ATOM 0 HA TYR A 734 -4.851 11.015 2.087 1.00 62.44 H new ATOM 0 HB2 TYR A 734 -2.968 9.697 2.535 1.00 42.13 H new ATOM 0 HB3 TYR A 734 -3.382 8.497 1.327 1.00 42.13 H new ATOM 0 HD1 TYR A 734 -1.915 11.874 1.818 1.00 32.24 H new ATOM 0 HD2 TYR A 734 -2.691 8.739 -0.961 1.00 22.44 H new ATOM 0 HE1 TYR A 734 -0.390 12.926 0.202 1.00 3.03 H new ATOM 0 HE2 TYR A 734 -1.173 9.791 -2.578 1.00 55.21 H new ATOM 0 HH TYR A 734 0.190 11.475 -3.013 1.00 64.50 H new ATOM 447 N ALA A 735 -5.414 9.441 -0.759 1.00 31.12 N ATOM 448 CA ALA A 735 -5.723 9.631 -2.161 1.00 62.04 C ATOM 449 C ALA A 735 -7.060 10.332 -2.333 1.00 34.40 C ATOM 450 O ALA A 735 -7.152 11.341 -3.025 1.00 71.31 O ATOM 451 CB ALA A 735 -5.725 8.297 -2.885 1.00 11.50 C ATOM 0 H ALA A 735 -5.399 8.466 -0.459 1.00 31.12 H new ATOM 0 HA ALA A 735 -4.951 10.265 -2.598 1.00 62.04 H new ATOM 0 HB1 ALA A 735 -5.959 8.455 -3.938 1.00 11.50 H new ATOM 0 HB2 ALA A 735 -4.742 7.834 -2.797 1.00 11.50 H new ATOM 0 HB3 ALA A 735 -6.475 7.643 -2.441 1.00 11.50 H new ATOM 457 N ARG A 736 -8.084 9.818 -1.664 1.00 31.15 N ATOM 458 CA ARG A 736 -9.441 10.334 -1.811 1.00 14.21 C ATOM 459 C ARG A 736 -9.537 11.781 -1.329 1.00 53.32 C ATOM 460 O ARG A 736 -10.327 12.571 -1.846 1.00 12.45 O ATOM 461 CB ARG A 736 -10.415 9.439 -1.039 1.00 51.01 C ATOM 462 CG ARG A 736 -10.461 9.691 0.461 1.00 14.13 C ATOM 463 CD ARG A 736 -11.318 8.655 1.166 1.00 74.44 C ATOM 464 NE ARG A 736 -11.491 8.956 2.584 1.00 12.52 N ATOM 465 CZ ARG A 736 -12.440 8.414 3.347 1.00 71.41 C ATOM 466 NH1 ARG A 736 -13.300 7.542 2.831 1.00 53.42 N ATOM 467 NH2 ARG A 736 -12.520 8.739 4.629 1.00 41.33 N ATOM 0 H ARG A 736 -8.001 9.040 -1.010 1.00 31.15 H new ATOM 0 HA ARG A 736 -9.707 10.324 -2.868 1.00 14.21 H new ATOM 0 HB2 ARG A 736 -11.416 9.578 -1.447 1.00 51.01 H new ATOM 0 HB3 ARG A 736 -10.143 8.397 -1.210 1.00 51.01 H new ATOM 0 HG2 ARG A 736 -9.450 9.668 0.867 1.00 14.13 H new ATOM 0 HG3 ARG A 736 -10.859 10.687 0.653 1.00 14.13 H new ATOM 0 HD2 ARG A 736 -12.295 8.606 0.685 1.00 74.44 H new ATOM 0 HD3 ARG A 736 -10.859 7.672 1.058 1.00 74.44 H new ATOM 0 HE ARG A 736 -10.848 9.620 3.016 1.00 12.52 H new ATOM 0 HH11 ARG A 736 -13.236 7.284 1.846 1.00 53.42 H new ATOM 0 HH12 ARG A 736 -14.024 7.130 3.420 1.00 53.42 H new ATOM 0 HH21 ARG A 736 -11.857 9.402 5.029 1.00 41.33 H new ATOM 0 HH22 ARG A 736 -13.245 8.326 5.216 1.00 41.33 H new ATOM 481 N SER A 737 -8.719 12.118 -0.347 1.00 53.22 N ATOM 482 CA SER A 737 -8.690 13.466 0.203 1.00 2.12 C ATOM 483 C SER A 737 -7.936 14.422 -0.726 1.00 22.04 C ATOM 484 O SER A 737 -8.233 15.615 -0.776 1.00 25.30 O ATOM 485 CB SER A 737 -8.038 13.443 1.592 1.00 40.21 C ATOM 486 OG SER A 737 -8.045 14.723 2.204 1.00 34.10 O ATOM 0 H SER A 737 -8.061 11.473 0.090 1.00 53.22 H new ATOM 0 HA SER A 737 -9.714 13.827 0.293 1.00 2.12 H new ATOM 0 HB2 SER A 737 -8.567 12.734 2.229 1.00 40.21 H new ATOM 0 HB3 SER A 737 -7.011 13.089 1.505 1.00 40.21 H new ATOM 0 HG SER A 737 -7.623 14.666 3.087 1.00 34.10 H new ATOM 492 N HIS A 738 -6.972 13.893 -1.470 1.00 70.42 N ATOM 493 CA HIS A 738 -6.132 14.723 -2.331 1.00 61.21 C ATOM 494 C HIS A 738 -6.611 14.696 -3.781 1.00 35.33 C ATOM 495 O HIS A 738 -6.157 15.485 -4.610 1.00 63.30 O ATOM 496 CB HIS A 738 -4.670 14.272 -2.252 1.00 73.22 C ATOM 497 CG HIS A 738 -3.992 14.608 -0.955 1.00 45.14 C ATOM 498 ND1 HIS A 738 -2.633 14.806 -0.848 1.00 11.41 N ATOM 499 CD2 HIS A 738 -4.487 14.766 0.297 1.00 1.34 C ATOM 500 CE1 HIS A 738 -2.324 15.065 0.409 1.00 23.42 C ATOM 501 NE2 HIS A 738 -3.430 15.051 1.125 1.00 12.02 N ATOM 0 H HIS A 738 -6.752 12.897 -1.496 1.00 70.42 H new ATOM 0 HA HIS A 738 -6.209 15.749 -1.971 1.00 61.21 H new ATOM 0 HB2 HIS A 738 -4.625 13.194 -2.404 1.00 73.22 H new ATOM 0 HB3 HIS A 738 -4.115 14.732 -3.069 1.00 73.22 H new ATOM 0 HD2 HIS A 738 -5.523 14.683 0.589 1.00 1.34 H new ATOM 0 HE1 HIS A 738 -1.331 15.256 0.787 1.00 23.42 H new ATOM 0 HE2 HIS A 738 -3.491 15.223 2.128 1.00 12.02 H new ATOM 510 N GLY A 739 -7.519 13.782 -4.087 1.00 14.20 N ATOM 511 CA GLY A 739 -8.082 13.714 -5.423 1.00 64.22 C ATOM 512 C GLY A 739 -7.513 12.578 -6.247 1.00 32.23 C ATOM 513 O GLY A 739 -7.951 12.338 -7.370 1.00 15.34 O ATOM 0 H GLY A 739 -7.878 13.085 -3.435 1.00 14.20 H new ATOM 0 HA2 GLY A 739 -9.163 13.597 -5.350 1.00 64.22 H new ATOM 0 HA3 GLY A 739 -7.897 14.657 -5.938 1.00 64.22 H new ATOM 517 N PHE A 740 -6.541 11.872 -5.689 1.00 1.34 N ATOM 518 CA PHE A 740 -5.901 10.768 -6.390 1.00 35.14 C ATOM 519 C PHE A 740 -6.771 9.521 -6.327 1.00 10.22 C ATOM 520 O PHE A 740 -7.621 9.388 -5.446 1.00 44.05 O ATOM 521 CB PHE A 740 -4.530 10.458 -5.782 1.00 64.21 C ATOM 522 CG PHE A 740 -3.533 11.570 -5.912 1.00 33.25 C ATOM 523 CD1 PHE A 740 -2.812 11.736 -7.082 1.00 2.33 C ATOM 524 CD2 PHE A 740 -3.312 12.446 -4.864 1.00 23.33 C ATOM 525 CE1 PHE A 740 -1.887 12.754 -7.203 1.00 63.35 C ATOM 526 CE2 PHE A 740 -2.389 13.465 -4.978 1.00 0.34 C ATOM 527 CZ PHE A 740 -1.676 13.619 -6.149 1.00 43.22 C ATOM 0 H PHE A 740 -6.178 12.044 -4.752 1.00 1.34 H new ATOM 0 HA PHE A 740 -5.770 11.066 -7.430 1.00 35.14 H new ATOM 0 HB2 PHE A 740 -4.659 10.222 -4.726 1.00 64.21 H new ATOM 0 HB3 PHE A 740 -4.126 9.566 -6.261 1.00 64.21 H new ATOM 0 HD1 PHE A 740 -2.975 11.062 -7.910 1.00 2.33 H new ATOM 0 HD2 PHE A 740 -3.869 12.331 -3.946 1.00 23.33 H new ATOM 0 HE1 PHE A 740 -1.330 12.873 -8.121 1.00 63.35 H new ATOM 0 HE2 PHE A 740 -2.225 14.141 -4.152 1.00 0.34 H new ATOM 0 HZ PHE A 740 -0.953 14.416 -6.241 1.00 43.22 H new ATOM 537 N ALA A 741 -6.559 8.615 -7.263 1.00 22.05 N ATOM 538 CA ALA A 741 -7.247 7.338 -7.258 1.00 4.42 C ATOM 539 C ALA A 741 -6.299 6.264 -6.759 1.00 54.41 C ATOM 540 O ALA A 741 -5.215 6.087 -7.313 1.00 60.10 O ATOM 541 CB ALA A 741 -7.764 6.999 -8.647 1.00 50.04 C ATOM 0 H ALA A 741 -5.912 8.741 -8.041 1.00 22.05 H new ATOM 0 HA ALA A 741 -8.108 7.395 -6.591 1.00 4.42 H new ATOM 0 HB1 ALA A 741 -8.276 6.037 -8.620 1.00 50.04 H new ATOM 0 HB2 ALA A 741 -8.459 7.772 -8.975 1.00 50.04 H new ATOM 0 HB3 ALA A 741 -6.927 6.945 -9.343 1.00 50.04 H new ATOM 547 N ALA A 742 -6.698 5.574 -5.701 1.00 42.21 N ATOM 548 CA ALA A 742 -5.853 4.565 -5.086 1.00 63.31 C ATOM 549 C ALA A 742 -6.456 3.180 -5.240 1.00 52.43 C ATOM 550 O ALA A 742 -7.587 2.934 -4.819 1.00 11.02 O ATOM 551 CB ALA A 742 -5.639 4.886 -3.617 1.00 31.43 C ATOM 0 H ALA A 742 -7.605 5.696 -5.250 1.00 42.21 H new ATOM 0 HA ALA A 742 -4.889 4.572 -5.595 1.00 63.31 H new ATOM 0 HB1 ALA A 742 -5.004 4.123 -3.167 1.00 31.43 H new ATOM 0 HB2 ALA A 742 -5.158 5.860 -3.524 1.00 31.43 H new ATOM 0 HB3 ALA A 742 -6.601 4.906 -3.105 1.00 31.43 H new ATOM 557 N GLU A 743 -5.702 2.280 -5.847 1.00 65.31 N ATOM 558 CA GLU A 743 -6.154 0.909 -6.026 1.00 51.33 C ATOM 559 C GLU A 743 -4.986 -0.065 -5.923 1.00 12.02 C ATOM 560 O GLU A 743 -3.896 0.196 -6.435 1.00 65.11 O ATOM 561 CB GLU A 743 -6.873 0.737 -7.370 1.00 4.34 C ATOM 562 CG GLU A 743 -6.024 1.083 -8.581 1.00 31.14 C ATOM 563 CD GLU A 743 -6.741 0.808 -9.884 1.00 22.50 C ATOM 564 OE1 GLU A 743 -7.461 1.700 -10.374 1.00 14.31 O ATOM 565 OE2 GLU A 743 -6.599 -0.310 -10.420 1.00 41.32 O ATOM 0 H GLU A 743 -4.774 2.473 -6.224 1.00 65.31 H new ATOM 0 HA GLU A 743 -6.862 0.686 -5.228 1.00 51.33 H new ATOM 0 HB2 GLU A 743 -7.209 -0.296 -7.460 1.00 4.34 H new ATOM 0 HB3 GLU A 743 -7.765 1.364 -7.375 1.00 4.34 H new ATOM 0 HG2 GLU A 743 -5.746 2.136 -8.538 1.00 31.14 H new ATOM 0 HG3 GLU A 743 -5.099 0.507 -8.550 1.00 31.14 H new ATOM 572 N PHE A 744 -5.220 -1.176 -5.245 1.00 34.44 N ATOM 573 CA PHE A 744 -4.206 -2.204 -5.082 1.00 15.15 C ATOM 574 C PHE A 744 -4.475 -3.338 -6.054 1.00 23.35 C ATOM 575 O PHE A 744 -5.461 -4.058 -5.908 1.00 64.32 O ATOM 576 CB PHE A 744 -4.221 -2.749 -3.649 1.00 22.45 C ATOM 577 CG PHE A 744 -3.967 -1.711 -2.593 1.00 4.55 C ATOM 578 CD1 PHE A 744 -4.963 -0.821 -2.221 1.00 34.24 C ATOM 579 CD2 PHE A 744 -2.734 -1.630 -1.970 1.00 24.41 C ATOM 580 CE1 PHE A 744 -4.732 0.132 -1.250 1.00 13.23 C ATOM 581 CE2 PHE A 744 -2.498 -0.680 -0.996 1.00 1.34 C ATOM 582 CZ PHE A 744 -3.498 0.203 -0.636 1.00 14.23 C ATOM 0 H PHE A 744 -6.110 -1.390 -4.796 1.00 34.44 H new ATOM 0 HA PHE A 744 -3.228 -1.767 -5.283 1.00 15.15 H new ATOM 0 HB2 PHE A 744 -5.188 -3.215 -3.459 1.00 22.45 H new ATOM 0 HB3 PHE A 744 -3.467 -3.532 -3.562 1.00 22.45 H new ATOM 0 HD1 PHE A 744 -5.931 -0.874 -2.697 1.00 34.24 H new ATOM 0 HD2 PHE A 744 -1.948 -2.317 -2.248 1.00 24.41 H new ATOM 0 HE1 PHE A 744 -5.515 0.821 -0.971 1.00 13.23 H new ATOM 0 HE2 PHE A 744 -1.532 -0.627 -0.516 1.00 1.34 H new ATOM 0 HZ PHE A 744 -3.314 0.947 0.125 1.00 14.23 H new ATOM 592 N LYS A 745 -3.622 -3.495 -7.049 1.00 0.15 N ATOM 593 CA LYS A 745 -3.817 -4.546 -8.033 1.00 10.01 C ATOM 594 C LYS A 745 -2.687 -5.561 -7.973 1.00 54.00 C ATOM 595 O LYS A 745 -1.550 -5.228 -7.630 1.00 64.53 O ATOM 596 CB LYS A 745 -3.937 -3.966 -9.445 1.00 30.12 C ATOM 597 CG LYS A 745 -2.699 -3.238 -9.937 1.00 44.42 C ATOM 598 CD LYS A 745 -2.851 -2.777 -11.382 1.00 74.15 C ATOM 599 CE LYS A 745 -3.907 -1.688 -11.532 1.00 13.03 C ATOM 600 NZ LYS A 745 -5.287 -2.234 -11.639 1.00 22.32 N ATOM 0 H LYS A 745 -2.796 -2.916 -7.198 1.00 0.15 H new ATOM 0 HA LYS A 745 -4.751 -5.054 -7.793 1.00 10.01 H new ATOM 0 HB2 LYS A 745 -4.166 -4.776 -10.138 1.00 30.12 H new ATOM 0 HB3 LYS A 745 -4.781 -3.277 -9.470 1.00 30.12 H new ATOM 0 HG2 LYS A 745 -2.506 -2.376 -9.299 1.00 44.42 H new ATOM 0 HG3 LYS A 745 -1.834 -3.895 -9.854 1.00 44.42 H new ATOM 0 HD2 LYS A 745 -1.893 -2.404 -11.745 1.00 74.15 H new ATOM 0 HD3 LYS A 745 -3.119 -3.629 -12.007 1.00 74.15 H new ATOM 0 HE2 LYS A 745 -3.853 -1.015 -10.676 1.00 13.03 H new ATOM 0 HE3 LYS A 745 -3.686 -1.094 -12.419 1.00 13.03 H new ATOM 0 HZ1 LYS A 745 -5.687 -1.987 -12.567 1.00 22.32 H new ATOM 0 HZ2 LYS A 745 -5.260 -3.269 -11.538 1.00 22.32 H new ATOM 0 HZ3 LYS A 745 -5.880 -1.828 -10.887 1.00 22.32 H new ATOM 614 N LEU A 746 -3.014 -6.802 -8.291 1.00 54.11 N ATOM 615 CA LEU A 746 -2.030 -7.866 -8.318 1.00 12.50 C ATOM 616 C LEU A 746 -1.199 -7.782 -9.590 1.00 51.31 C ATOM 617 O LEU A 746 -1.726 -7.894 -10.699 1.00 54.41 O ATOM 618 CB LEU A 746 -2.715 -9.233 -8.227 1.00 73.32 C ATOM 619 CG LEU A 746 -1.770 -10.439 -8.250 1.00 21.02 C ATOM 620 CD1 LEU A 746 -0.877 -10.449 -7.019 1.00 31.54 C ATOM 621 CD2 LEU A 746 -2.562 -11.732 -8.348 1.00 62.23 C ATOM 0 H LEU A 746 -3.960 -7.097 -8.535 1.00 54.11 H new ATOM 0 HA LEU A 746 -1.371 -7.749 -7.457 1.00 12.50 H new ATOM 0 HB2 LEU A 746 -3.300 -9.268 -7.308 1.00 73.32 H new ATOM 0 HB3 LEU A 746 -3.417 -9.326 -9.056 1.00 73.32 H new ATOM 0 HG LEU A 746 -1.132 -10.357 -9.130 1.00 21.02 H new ATOM 0 HD11 LEU A 746 -0.215 -11.314 -7.057 1.00 31.54 H new ATOM 0 HD12 LEU A 746 -0.281 -9.537 -6.994 1.00 31.54 H new ATOM 0 HD13 LEU A 746 -1.494 -10.504 -6.122 1.00 31.54 H new ATOM 0 HD21 LEU A 746 -1.876 -12.579 -8.363 1.00 62.23 H new ATOM 0 HD22 LEU A 746 -3.226 -11.818 -7.488 1.00 62.23 H new ATOM 0 HD23 LEU A 746 -3.154 -11.728 -9.264 1.00 62.23 H new ATOM 633 N VAL A 747 0.091 -7.564 -9.427 1.00 41.32 N ATOM 634 CA VAL A 747 1.008 -7.534 -10.550 1.00 34.31 C ATOM 635 C VAL A 747 1.223 -8.943 -11.077 1.00 52.51 C ATOM 636 O VAL A 747 1.057 -9.207 -12.269 1.00 72.24 O ATOM 637 CB VAL A 747 2.369 -6.923 -10.149 1.00 12.04 C ATOM 638 CG1 VAL A 747 3.343 -6.936 -11.317 1.00 21.03 C ATOM 639 CG2 VAL A 747 2.185 -5.508 -9.624 1.00 65.44 C ATOM 0 H VAL A 747 0.531 -7.404 -8.521 1.00 41.32 H new ATOM 0 HA VAL A 747 0.567 -6.910 -11.327 1.00 34.31 H new ATOM 0 HB VAL A 747 2.791 -7.537 -9.353 1.00 12.04 H new ATOM 0 HG11 VAL A 747 4.292 -6.500 -11.004 1.00 21.03 H new ATOM 0 HG12 VAL A 747 3.506 -7.963 -11.644 1.00 21.03 H new ATOM 0 HG13 VAL A 747 2.930 -6.354 -12.141 1.00 21.03 H new ATOM 0 HG21 VAL A 747 3.154 -5.094 -9.347 1.00 65.44 H new ATOM 0 HG22 VAL A 747 1.734 -4.888 -10.399 1.00 65.44 H new ATOM 0 HG23 VAL A 747 1.534 -5.526 -8.750 1.00 65.44 H new ATOM 649 N ASP A 748 1.562 -9.849 -10.171 1.00 12.15 N ATOM 650 CA ASP A 748 1.842 -11.235 -10.528 1.00 24.11 C ATOM 651 C ASP A 748 1.947 -12.083 -9.269 1.00 23.14 C ATOM 652 O ASP A 748 2.223 -11.562 -8.196 1.00 24.53 O ATOM 653 CB ASP A 748 3.146 -11.318 -11.329 1.00 64.30 C ATOM 654 CG ASP A 748 3.494 -12.730 -11.749 1.00 60.33 C ATOM 655 OD1 ASP A 748 2.814 -13.276 -12.640 1.00 11.32 O ATOM 656 OD2 ASP A 748 4.460 -13.295 -11.201 1.00 64.12 O ATOM 0 H ASP A 748 1.651 -9.648 -9.175 1.00 12.15 H new ATOM 0 HA ASP A 748 1.027 -11.615 -11.144 1.00 24.11 H new ATOM 0 HB2 ASP A 748 3.061 -10.691 -12.217 1.00 64.30 H new ATOM 0 HB3 ASP A 748 3.961 -10.912 -10.729 1.00 64.30 H new ATOM 661 N GLN A 749 1.704 -13.377 -9.395 1.00 44.13 N ATOM 662 CA GLN A 749 1.871 -14.288 -8.277 1.00 51.04 C ATOM 663 C GLN A 749 2.699 -15.499 -8.699 1.00 1.12 C ATOM 664 O GLN A 749 2.197 -16.433 -9.330 1.00 10.53 O ATOM 665 CB GLN A 749 0.516 -14.715 -7.693 1.00 63.20 C ATOM 666 CG GLN A 749 -0.458 -15.289 -8.707 1.00 62.04 C ATOM 667 CD GLN A 749 -1.721 -15.816 -8.057 1.00 41.22 C ATOM 668 OE1 GLN A 749 -2.705 -15.093 -7.900 1.00 21.43 O ATOM 669 NE2 GLN A 749 -1.694 -17.077 -7.658 1.00 11.34 N ATOM 0 H GLN A 749 1.391 -13.819 -10.259 1.00 44.13 H new ATOM 0 HA GLN A 749 2.409 -13.763 -7.488 1.00 51.04 H new ATOM 0 HB2 GLN A 749 0.689 -15.458 -6.914 1.00 63.20 H new ATOM 0 HB3 GLN A 749 0.054 -13.852 -7.213 1.00 63.20 H new ATOM 0 HG2 GLN A 749 -0.720 -14.519 -9.432 1.00 62.04 H new ATOM 0 HG3 GLN A 749 0.027 -16.094 -9.258 1.00 62.04 H new ATOM 0 HE21 GLN A 749 -0.858 -17.641 -7.808 1.00 11.34 H new ATOM 0 HE22 GLN A 749 -2.509 -17.485 -7.201 1.00 11.34 H new ATOM 678 N SER A 750 3.980 -15.459 -8.373 1.00 32.13 N ATOM 679 CA SER A 750 4.902 -16.516 -8.757 1.00 55.30 C ATOM 680 C SER A 750 5.904 -16.787 -7.643 1.00 63.41 C ATOM 681 O SER A 750 6.477 -15.859 -7.071 1.00 1.20 O ATOM 682 CB SER A 750 5.649 -16.135 -10.035 1.00 63.10 C ATOM 683 OG SER A 750 4.750 -15.842 -11.093 1.00 33.33 O ATOM 0 H SER A 750 4.407 -14.701 -7.840 1.00 32.13 H new ATOM 0 HA SER A 750 4.321 -17.420 -8.938 1.00 55.30 H new ATOM 0 HB2 SER A 750 6.282 -15.269 -9.843 1.00 63.10 H new ATOM 0 HB3 SER A 750 6.307 -16.952 -10.331 1.00 63.10 H new ATOM 0 HG SER A 750 4.337 -14.967 -10.939 1.00 33.33 H new ATOM 689 N GLY A 751 6.107 -18.058 -7.337 1.00 20.05 N ATOM 690 CA GLY A 751 7.061 -18.437 -6.322 1.00 3.33 C ATOM 691 C GLY A 751 6.954 -19.903 -5.972 1.00 52.13 C ATOM 692 O GLY A 751 6.226 -20.644 -6.637 1.00 55.23 O ATOM 0 H GLY A 751 5.622 -18.839 -7.779 1.00 20.05 H new ATOM 0 HA2 GLY A 751 8.070 -18.219 -6.672 1.00 3.33 H new ATOM 0 HA3 GLY A 751 6.898 -17.837 -5.427 1.00 3.33 H new ATOM 696 N PRO A 752 7.676 -20.356 -4.938 1.00 62.21 N ATOM 697 CA PRO A 752 7.611 -21.743 -4.473 1.00 11.13 C ATOM 698 C PRO A 752 6.249 -22.067 -3.861 1.00 54.02 C ATOM 699 O PRO A 752 5.528 -21.168 -3.434 1.00 71.02 O ATOM 700 CB PRO A 752 8.714 -21.818 -3.411 1.00 41.14 C ATOM 701 CG PRO A 752 8.900 -20.414 -2.950 1.00 70.30 C ATOM 702 CD PRO A 752 8.616 -19.547 -4.143 1.00 32.33 C ATOM 0 HA PRO A 752 7.744 -22.460 -5.283 1.00 11.13 H new ATOM 0 HB2 PRO A 752 8.424 -22.469 -2.586 1.00 41.14 H new ATOM 0 HB3 PRO A 752 9.637 -22.222 -3.828 1.00 41.14 H new ATOM 0 HG2 PRO A 752 8.224 -20.180 -2.128 1.00 70.30 H new ATOM 0 HG3 PRO A 752 9.914 -20.254 -2.584 1.00 70.30 H new ATOM 0 HD2 PRO A 752 8.177 -18.593 -3.851 1.00 32.33 H new ATOM 0 HD3 PRO A 752 9.525 -19.322 -4.702 1.00 32.33 H new ATOM 710 N PRO A 753 5.875 -23.353 -3.809 1.00 73.50 N ATOM 711 CA PRO A 753 4.566 -23.774 -3.295 1.00 52.41 C ATOM 712 C PRO A 753 4.320 -23.338 -1.847 1.00 53.33 C ATOM 713 O PRO A 753 3.185 -23.054 -1.463 1.00 44.14 O ATOM 714 CB PRO A 753 4.601 -25.303 -3.397 1.00 24.34 C ATOM 715 CG PRO A 753 6.037 -25.661 -3.568 1.00 54.11 C ATOM 716 CD PRO A 753 6.681 -24.497 -4.261 1.00 1.44 C ATOM 0 HA PRO A 753 3.756 -23.316 -3.863 1.00 52.41 H new ATOM 0 HB2 PRO A 753 4.186 -25.765 -2.501 1.00 24.34 H new ATOM 0 HB3 PRO A 753 4.007 -25.653 -4.241 1.00 24.34 H new ATOM 0 HG2 PRO A 753 6.509 -25.849 -2.603 1.00 54.11 H new ATOM 0 HG3 PRO A 753 6.143 -26.572 -4.157 1.00 54.11 H new ATOM 0 HD2 PRO A 753 7.728 -24.389 -3.979 1.00 1.44 H new ATOM 0 HD3 PRO A 753 6.653 -24.607 -5.345 1.00 1.44 H new ATOM 724 N HIS A 754 5.381 -23.275 -1.048 1.00 75.43 N ATOM 725 CA HIS A 754 5.256 -22.885 0.354 1.00 22.50 C ATOM 726 C HIS A 754 5.229 -21.366 0.501 1.00 51.22 C ATOM 727 O HIS A 754 4.785 -20.836 1.520 1.00 21.35 O ATOM 728 CB HIS A 754 6.396 -23.481 1.187 1.00 62.31 C ATOM 729 CG HIS A 754 7.768 -23.063 0.748 1.00 64.01 C ATOM 730 ND1 HIS A 754 8.437 -23.734 -0.245 1.00 52.32 N ATOM 731 CD2 HIS A 754 8.545 -22.053 1.202 1.00 42.32 C ATOM 732 CE1 HIS A 754 9.602 -23.123 -0.369 1.00 42.03 C ATOM 733 NE2 HIS A 754 9.713 -22.100 0.486 1.00 42.44 N ATOM 0 H HIS A 754 6.333 -23.488 -1.345 1.00 75.43 H new ATOM 0 HA HIS A 754 4.311 -23.280 0.727 1.00 22.50 H new ATOM 0 HB2 HIS A 754 6.258 -23.193 2.229 1.00 62.31 H new ATOM 0 HB3 HIS A 754 6.330 -24.568 1.146 1.00 62.31 H new ATOM 0 HD2 HIS A 754 8.294 -21.346 1.979 1.00 42.32 H new ATOM 0 HE1 HIS A 754 10.369 -23.413 -1.072 1.00 42.03 H new ATOM 0 HE2 HIS A 754 10.513 -21.475 0.586 1.00 42.44 H new ATOM 741 N GLU A 755 5.693 -20.671 -0.530 1.00 64.53 N ATOM 742 CA GLU A 755 5.709 -19.215 -0.532 1.00 74.23 C ATOM 743 C GLU A 755 5.074 -18.667 -1.807 1.00 71.21 C ATOM 744 O GLU A 755 5.779 -18.211 -2.708 1.00 21.43 O ATOM 745 CB GLU A 755 7.141 -18.682 -0.407 1.00 12.00 C ATOM 746 CG GLU A 755 7.699 -18.703 1.005 1.00 40.10 C ATOM 747 CD GLU A 755 6.976 -17.750 1.933 1.00 71.24 C ATOM 748 OE1 GLU A 755 6.879 -16.545 1.610 1.00 60.44 O ATOM 749 OE2 GLU A 755 6.510 -18.189 2.999 1.00 52.22 O ATOM 0 H GLU A 755 6.065 -21.096 -1.379 1.00 64.53 H new ATOM 0 HA GLU A 755 5.129 -18.880 0.328 1.00 74.23 H new ATOM 0 HB2 GLU A 755 7.793 -19.273 -1.051 1.00 12.00 H new ATOM 0 HB3 GLU A 755 7.168 -17.658 -0.780 1.00 12.00 H new ATOM 0 HG2 GLU A 755 7.629 -19.715 1.404 1.00 40.10 H new ATOM 0 HG3 GLU A 755 8.757 -18.444 0.977 1.00 40.10 H new ATOM 756 N PRO A 756 3.736 -18.733 -1.922 1.00 15.22 N ATOM 757 CA PRO A 756 3.023 -18.134 -3.049 1.00 52.04 C ATOM 758 C PRO A 756 3.189 -16.625 -3.033 1.00 44.12 C ATOM 759 O PRO A 756 2.566 -15.933 -2.235 1.00 52.41 O ATOM 760 CB PRO A 756 1.562 -18.530 -2.819 1.00 32.12 C ATOM 761 CG PRO A 756 1.471 -18.853 -1.366 1.00 65.12 C ATOM 762 CD PRO A 756 2.819 -19.387 -0.973 1.00 1.00 C ATOM 0 HA PRO A 756 3.394 -18.472 -4.017 1.00 52.04 H new ATOM 0 HB2 PRO A 756 0.887 -17.717 -3.085 1.00 32.12 H new ATOM 0 HB3 PRO A 756 1.285 -19.388 -3.432 1.00 32.12 H new ATOM 0 HG2 PRO A 756 1.218 -17.966 -0.785 1.00 65.12 H new ATOM 0 HG3 PRO A 756 0.690 -19.590 -1.179 1.00 65.12 H new ATOM 0 HD2 PRO A 756 3.064 -19.138 0.059 1.00 1.00 H new ATOM 0 HD3 PRO A 756 2.861 -20.473 -1.057 1.00 1.00 H new ATOM 770 N LYS A 757 4.054 -16.118 -3.888 1.00 2.11 N ATOM 771 CA LYS A 757 4.442 -14.725 -3.806 1.00 12.23 C ATOM 772 C LYS A 757 3.522 -13.845 -4.633 1.00 4.04 C ATOM 773 O LYS A 757 3.593 -13.829 -5.861 1.00 33.53 O ATOM 774 CB LYS A 757 5.888 -14.544 -4.262 1.00 42.01 C ATOM 775 CG LYS A 757 6.565 -13.320 -3.667 1.00 64.31 C ATOM 776 CD LYS A 757 7.441 -13.683 -2.473 1.00 31.44 C ATOM 777 CE LYS A 757 6.670 -14.423 -1.389 1.00 33.24 C ATOM 778 NZ LYS A 757 7.556 -14.822 -0.265 1.00 73.14 N ATOM 0 H LYS A 757 4.498 -16.644 -4.641 1.00 2.11 H new ATOM 0 HA LYS A 757 4.357 -14.420 -2.763 1.00 12.23 H new ATOM 0 HB2 LYS A 757 6.459 -15.432 -3.992 1.00 42.01 H new ATOM 0 HB3 LYS A 757 5.911 -14.469 -5.349 1.00 42.01 H new ATOM 0 HG2 LYS A 757 7.173 -12.834 -4.430 1.00 64.31 H new ATOM 0 HG3 LYS A 757 5.808 -12.600 -3.357 1.00 64.31 H new ATOM 0 HD2 LYS A 757 8.272 -14.302 -2.811 1.00 31.44 H new ATOM 0 HD3 LYS A 757 7.871 -12.774 -2.052 1.00 31.44 H new ATOM 0 HE2 LYS A 757 5.868 -13.787 -1.013 1.00 33.24 H new ATOM 0 HE3 LYS A 757 6.201 -15.309 -1.816 1.00 33.24 H new ATOM 0 HZ1 LYS A 757 7.048 -15.479 0.361 1.00 73.14 H new ATOM 0 HZ2 LYS A 757 8.405 -15.290 -0.642 1.00 73.14 H new ATOM 0 HZ3 LYS A 757 7.836 -13.977 0.273 1.00 73.14 H new ATOM 792 N PHE A 758 2.658 -13.123 -3.945 1.00 60.21 N ATOM 793 CA PHE A 758 1.744 -12.202 -4.590 1.00 15.41 C ATOM 794 C PHE A 758 2.366 -10.818 -4.648 1.00 54.15 C ATOM 795 O PHE A 758 2.549 -10.160 -3.622 1.00 72.52 O ATOM 796 CB PHE A 758 0.410 -12.149 -3.839 1.00 65.22 C ATOM 797 CG PHE A 758 -0.232 -13.496 -3.677 1.00 73.32 C ATOM 798 CD1 PHE A 758 -1.061 -14.010 -4.657 1.00 13.35 C ATOM 799 CD2 PHE A 758 0.006 -14.250 -2.543 1.00 34.43 C ATOM 800 CE1 PHE A 758 -1.641 -15.254 -4.508 1.00 50.35 C ATOM 801 CE2 PHE A 758 -0.569 -15.492 -2.388 1.00 25.41 C ATOM 802 CZ PHE A 758 -1.394 -15.997 -3.371 1.00 34.21 C ATOM 0 H PHE A 758 2.571 -13.158 -2.929 1.00 60.21 H new ATOM 0 HA PHE A 758 1.552 -12.553 -5.604 1.00 15.41 H new ATOM 0 HB2 PHE A 758 0.572 -11.710 -2.854 1.00 65.22 H new ATOM 0 HB3 PHE A 758 -0.274 -11.490 -4.373 1.00 65.22 H new ATOM 0 HD1 PHE A 758 -1.257 -13.432 -5.548 1.00 13.35 H new ATOM 0 HD2 PHE A 758 0.651 -13.860 -1.769 1.00 34.43 H new ATOM 0 HE1 PHE A 758 -2.287 -15.645 -5.280 1.00 50.35 H new ATOM 0 HE2 PHE A 758 -0.374 -16.070 -1.497 1.00 25.41 H new ATOM 0 HZ PHE A 758 -1.845 -16.971 -3.252 1.00 34.21 H new ATOM 812 N VAL A 759 2.718 -10.401 -5.849 1.00 2.11 N ATOM 813 CA VAL A 759 3.294 -9.090 -6.067 1.00 22.34 C ATOM 814 C VAL A 759 2.180 -8.065 -6.205 1.00 23.51 C ATOM 815 O VAL A 759 1.451 -8.062 -7.198 1.00 5.12 O ATOM 816 CB VAL A 759 4.168 -9.058 -7.338 1.00 62.31 C ATOM 817 CG1 VAL A 759 4.972 -7.770 -7.404 1.00 32.03 C ATOM 818 CG2 VAL A 759 5.081 -10.276 -7.404 1.00 1.33 C ATOM 0 H VAL A 759 2.613 -10.959 -6.696 1.00 2.11 H new ATOM 0 HA VAL A 759 3.926 -8.855 -5.211 1.00 22.34 H new ATOM 0 HB VAL A 759 3.508 -9.090 -8.205 1.00 62.31 H new ATOM 0 HG11 VAL A 759 5.582 -7.767 -8.308 1.00 32.03 H new ATOM 0 HG12 VAL A 759 4.293 -6.918 -7.422 1.00 32.03 H new ATOM 0 HG13 VAL A 759 5.619 -7.700 -6.530 1.00 32.03 H new ATOM 0 HG21 VAL A 759 5.686 -10.229 -8.309 1.00 1.33 H new ATOM 0 HG22 VAL A 759 5.734 -10.289 -6.531 1.00 1.33 H new ATOM 0 HG23 VAL A 759 4.477 -11.183 -7.418 1.00 1.33 H new ATOM 828 N TYR A 760 2.040 -7.216 -5.204 1.00 62.43 N ATOM 829 CA TYR A 760 0.993 -6.208 -5.195 1.00 72.40 C ATOM 830 C TYR A 760 1.579 -4.818 -5.352 1.00 54.13 C ATOM 831 O TYR A 760 2.582 -4.482 -4.724 1.00 53.33 O ATOM 832 CB TYR A 760 0.177 -6.289 -3.906 1.00 63.45 C ATOM 833 CG TYR A 760 -1.190 -6.899 -4.101 1.00 50.32 C ATOM 834 CD1 TYR A 760 -1.365 -8.276 -4.114 1.00 64.42 C ATOM 835 CD2 TYR A 760 -2.306 -6.093 -4.284 1.00 12.23 C ATOM 836 CE1 TYR A 760 -2.617 -8.832 -4.304 1.00 3.40 C ATOM 837 CE2 TYR A 760 -3.559 -6.640 -4.471 1.00 30.10 C ATOM 838 CZ TYR A 760 -3.709 -8.009 -4.483 1.00 32.40 C ATOM 839 OH TYR A 760 -4.957 -8.557 -4.670 1.00 1.31 O ATOM 0 H TYR A 760 2.642 -7.204 -4.381 1.00 62.43 H new ATOM 0 HA TYR A 760 0.333 -6.404 -6.040 1.00 72.40 H new ATOM 0 HB2 TYR A 760 0.728 -6.877 -3.172 1.00 63.45 H new ATOM 0 HB3 TYR A 760 0.064 -5.287 -3.492 1.00 63.45 H new ATOM 0 HD1 TYR A 760 -0.511 -8.922 -3.974 1.00 64.42 H new ATOM 0 HD2 TYR A 760 -2.191 -5.019 -4.280 1.00 12.23 H new ATOM 0 HE1 TYR A 760 -2.739 -9.905 -4.312 1.00 3.40 H new ATOM 0 HE2 TYR A 760 -4.417 -5.998 -4.607 1.00 30.10 H new ATOM 0 HH TYR A 760 -5.616 -7.840 -4.779 1.00 1.31 H new ATOM 849 N GLN A 761 0.954 -4.015 -6.195 1.00 74.21 N ATOM 850 CA GLN A 761 1.407 -2.655 -6.422 1.00 72.14 C ATOM 851 C GLN A 761 0.248 -1.686 -6.250 1.00 62.32 C ATOM 852 O GLN A 761 -0.836 -1.895 -6.801 1.00 12.31 O ATOM 853 CB GLN A 761 2.009 -2.518 -7.821 1.00 33.42 C ATOM 854 CG GLN A 761 2.747 -1.212 -8.053 1.00 42.52 C ATOM 855 CD GLN A 761 3.411 -1.160 -9.412 1.00 62.53 C ATOM 856 OE1 GLN A 761 2.928 -1.755 -10.378 1.00 33.44 O ATOM 857 NE2 GLN A 761 4.526 -0.454 -9.502 1.00 72.01 N ATOM 0 H GLN A 761 0.130 -4.282 -6.734 1.00 74.21 H new ATOM 0 HA GLN A 761 2.179 -2.417 -5.690 1.00 72.14 H new ATOM 0 HB2 GLN A 761 2.696 -3.347 -7.992 1.00 33.42 H new ATOM 0 HB3 GLN A 761 1.211 -2.608 -8.558 1.00 33.42 H new ATOM 0 HG2 GLN A 761 2.048 -0.381 -7.961 1.00 42.52 H new ATOM 0 HG3 GLN A 761 3.502 -1.081 -7.277 1.00 42.52 H new ATOM 0 HE21 GLN A 761 4.894 0.024 -8.680 1.00 72.01 H new ATOM 0 HE22 GLN A 761 5.017 -0.388 -10.393 1.00 72.01 H new ATOM 866 N ALA A 762 0.473 -0.642 -5.474 1.00 45.45 N ATOM 867 CA ALA A 762 -0.557 0.348 -5.219 1.00 41.23 C ATOM 868 C ALA A 762 -0.509 1.456 -6.260 1.00 21.45 C ATOM 869 O ALA A 762 0.491 2.162 -6.394 1.00 43.23 O ATOM 870 CB ALA A 762 -0.411 0.920 -3.817 1.00 31.55 C ATOM 0 H ALA A 762 1.362 -0.457 -5.009 1.00 45.45 H new ATOM 0 HA ALA A 762 -1.528 -0.142 -5.290 1.00 41.23 H new ATOM 0 HB1 ALA A 762 -1.192 1.661 -3.643 1.00 31.55 H new ATOM 0 HB2 ALA A 762 -0.503 0.117 -3.085 1.00 31.55 H new ATOM 0 HB3 ALA A 762 0.566 1.392 -3.717 1.00 31.55 H new ATOM 876 N LYS A 763 -1.584 1.588 -7.013 1.00 24.42 N ATOM 877 CA LYS A 763 -1.706 2.660 -7.982 1.00 5.22 C ATOM 878 C LYS A 763 -2.337 3.868 -7.314 1.00 44.40 C ATOM 879 O LYS A 763 -3.491 3.814 -6.896 1.00 64.43 O ATOM 880 CB LYS A 763 -2.567 2.216 -9.167 1.00 53.40 C ATOM 881 CG LYS A 763 -2.770 3.301 -10.214 1.00 64.01 C ATOM 882 CD LYS A 763 -3.732 2.849 -11.300 1.00 42.43 C ATOM 883 CE LYS A 763 -3.915 3.917 -12.366 1.00 63.32 C ATOM 884 NZ LYS A 763 -4.515 5.160 -11.812 1.00 21.33 N ATOM 0 H LYS A 763 -2.389 0.963 -6.972 1.00 24.42 H new ATOM 0 HA LYS A 763 -0.714 2.919 -8.353 1.00 5.22 H new ATOM 0 HB2 LYS A 763 -2.102 1.350 -9.639 1.00 53.40 H new ATOM 0 HB3 LYS A 763 -3.540 1.893 -8.797 1.00 53.40 H new ATOM 0 HG2 LYS A 763 -3.155 4.202 -9.737 1.00 64.01 H new ATOM 0 HG3 LYS A 763 -1.811 3.562 -10.661 1.00 64.01 H new ATOM 0 HD2 LYS A 763 -3.358 1.935 -11.761 1.00 42.43 H new ATOM 0 HD3 LYS A 763 -4.698 2.609 -10.855 1.00 42.43 H new ATOM 0 HE2 LYS A 763 -2.950 4.150 -12.816 1.00 63.32 H new ATOM 0 HE3 LYS A 763 -4.552 3.530 -13.161 1.00 63.32 H new ATOM 0 HZ1 LYS A 763 -5.181 5.561 -12.502 1.00 21.33 H new ATOM 0 HZ2 LYS A 763 -5.021 4.938 -10.931 1.00 21.33 H new ATOM 0 HZ3 LYS A 763 -3.763 5.851 -11.615 1.00 21.33 H new ATOM 898 N VAL A 764 -1.577 4.944 -7.191 1.00 5.41 N ATOM 899 CA VAL A 764 -2.091 6.165 -6.595 1.00 73.14 C ATOM 900 C VAL A 764 -1.923 7.327 -7.556 1.00 21.31 C ATOM 901 O VAL A 764 -0.829 7.873 -7.718 1.00 54.50 O ATOM 902 CB VAL A 764 -1.411 6.480 -5.246 1.00 2.40 C ATOM 903 CG1 VAL A 764 -1.887 7.819 -4.693 1.00 23.11 C ATOM 904 CG2 VAL A 764 -1.700 5.367 -4.255 1.00 32.43 C ATOM 0 H VAL A 764 -0.605 4.996 -7.495 1.00 5.41 H new ATOM 0 HA VAL A 764 -3.152 6.013 -6.396 1.00 73.14 H new ATOM 0 HB VAL A 764 -0.335 6.548 -5.407 1.00 2.40 H new ATOM 0 HG11 VAL A 764 -1.392 8.016 -3.742 1.00 23.11 H new ATOM 0 HG12 VAL A 764 -1.644 8.612 -5.400 1.00 23.11 H new ATOM 0 HG13 VAL A 764 -2.966 7.787 -4.541 1.00 23.11 H new ATOM 0 HG21 VAL A 764 -1.218 5.593 -3.304 1.00 32.43 H new ATOM 0 HG22 VAL A 764 -2.776 5.283 -4.106 1.00 32.43 H new ATOM 0 HG23 VAL A 764 -1.313 4.425 -4.643 1.00 32.43 H new ATOM 914 N GLY A 765 -3.016 7.679 -8.209 1.00 31.45 N ATOM 915 CA GLY A 765 -2.984 8.730 -9.196 1.00 1.02 C ATOM 916 C GLY A 765 -2.294 8.278 -10.461 1.00 54.23 C ATOM 917 O GLY A 765 -2.755 7.348 -11.130 1.00 74.10 O ATOM 0 H GLY A 765 -3.931 7.251 -8.071 1.00 31.45 H new ATOM 0 HA2 GLY A 765 -4.002 9.045 -9.427 1.00 1.02 H new ATOM 0 HA3 GLY A 765 -2.467 9.598 -8.788 1.00 1.02 H new ATOM 921 N GLY A 766 -1.174 8.909 -10.774 1.00 14.23 N ATOM 922 CA GLY A 766 -0.428 8.549 -11.958 1.00 65.31 C ATOM 923 C GLY A 766 0.786 7.707 -11.629 1.00 31.33 C ATOM 924 O GLY A 766 1.414 7.135 -12.519 1.00 73.24 O ATOM 0 H GLY A 766 -0.768 9.667 -10.226 1.00 14.23 H new ATOM 0 HA2 GLY A 766 -1.076 8.000 -12.642 1.00 65.31 H new ATOM 0 HA3 GLY A 766 -0.112 9.454 -12.476 1.00 65.31 H new ATOM 928 N ARG A 767 1.114 7.623 -10.347 1.00 31.11 N ATOM 929 CA ARG A 767 2.284 6.875 -9.913 1.00 32.42 C ATOM 930 C ARG A 767 1.907 5.493 -9.391 1.00 11.30 C ATOM 931 O ARG A 767 0.843 5.301 -8.801 1.00 60.22 O ATOM 932 CB ARG A 767 3.057 7.646 -8.843 1.00 24.21 C ATOM 933 CG ARG A 767 3.844 8.822 -9.394 1.00 53.13 C ATOM 934 CD ARG A 767 4.778 9.411 -8.351 1.00 41.00 C ATOM 935 NE ARG A 767 5.674 10.416 -8.928 1.00 64.32 N ATOM 936 CZ ARG A 767 6.919 10.635 -8.507 1.00 55.45 C ATOM 937 NH1 ARG A 767 7.416 9.947 -7.487 1.00 31.34 N ATOM 938 NH2 ARG A 767 7.665 11.555 -9.102 1.00 14.33 N ATOM 0 H ARG A 767 0.588 8.062 -9.592 1.00 31.11 H new ATOM 0 HA ARG A 767 2.924 6.744 -10.785 1.00 32.42 H new ATOM 0 HB2 ARG A 767 2.357 8.008 -8.090 1.00 24.21 H new ATOM 0 HB3 ARG A 767 3.742 6.964 -8.339 1.00 24.21 H new ATOM 0 HG2 ARG A 767 4.422 8.499 -10.260 1.00 53.13 H new ATOM 0 HG3 ARG A 767 3.154 9.591 -9.741 1.00 53.13 H new ATOM 0 HD2 ARG A 767 4.191 9.864 -7.552 1.00 41.00 H new ATOM 0 HD3 ARG A 767 5.369 8.613 -7.900 1.00 41.00 H new ATOM 0 HE ARG A 767 5.323 10.983 -9.700 1.00 64.32 H new ATOM 0 HH11 ARG A 767 6.844 9.244 -7.019 1.00 31.34 H new ATOM 0 HH12 ARG A 767 8.370 10.121 -7.171 1.00 31.34 H new ATOM 0 HH21 ARG A 767 7.286 12.094 -9.881 1.00 14.33 H new ATOM 0 HH22 ARG A 767 8.618 11.724 -8.781 1.00 14.33 H new ATOM 952 N TRP A 768 2.794 4.541 -9.626 1.00 73.10 N ATOM 953 CA TRP A 768 2.606 3.169 -9.183 1.00 72.15 C ATOM 954 C TRP A 768 3.621 2.845 -8.096 1.00 61.32 C ATOM 955 O TRP A 768 4.809 2.696 -8.382 1.00 51.40 O ATOM 956 CB TRP A 768 2.795 2.201 -10.356 1.00 74.33 C ATOM 957 CG TRP A 768 1.886 2.449 -11.521 1.00 3.11 C ATOM 958 CD1 TRP A 768 2.032 3.397 -12.493 1.00 5.10 C ATOM 959 CD2 TRP A 768 0.703 1.719 -11.848 1.00 44.31 C ATOM 960 NE1 TRP A 768 1.002 3.306 -13.397 1.00 12.33 N ATOM 961 CE2 TRP A 768 0.174 2.282 -13.023 1.00 31.05 C ATOM 962 CE3 TRP A 768 0.037 0.645 -11.257 1.00 72.12 C ATOM 963 CZ2 TRP A 768 -0.988 1.803 -13.622 1.00 55.43 C ATOM 964 CZ3 TRP A 768 -1.115 0.173 -11.849 1.00 43.02 C ATOM 965 CH2 TRP A 768 -1.620 0.750 -13.019 1.00 40.30 C ATOM 0 H TRP A 768 3.667 4.698 -10.130 1.00 73.10 H new ATOM 0 HA TRP A 768 1.595 3.060 -8.791 1.00 72.15 H new ATOM 0 HB2 TRP A 768 3.828 2.263 -10.698 1.00 74.33 H new ATOM 0 HB3 TRP A 768 2.638 1.183 -9.999 1.00 74.33 H new ATOM 0 HD1 TRP A 768 2.839 4.113 -12.543 1.00 5.10 H new ATOM 0 HE1 TRP A 768 0.875 3.904 -14.214 1.00 12.33 H new ATOM 0 HE3 TRP A 768 0.417 0.192 -10.353 1.00 72.12 H new ATOM 0 HZ2 TRP A 768 -1.376 2.246 -14.528 1.00 55.43 H new ATOM 0 HZ3 TRP A 768 -1.638 -0.659 -11.401 1.00 43.02 H new ATOM 0 HH2 TRP A 768 -2.526 0.357 -13.455 1.00 40.30 H new ATOM 976 N PHE A 769 3.169 2.743 -6.856 1.00 3.14 N ATOM 977 CA PHE A 769 4.079 2.506 -5.743 1.00 33.01 C ATOM 978 C PHE A 769 3.314 2.165 -4.472 1.00 75.24 C ATOM 979 O PHE A 769 2.258 2.730 -4.197 1.00 51.13 O ATOM 980 CB PHE A 769 4.975 3.731 -5.499 1.00 21.11 C ATOM 981 CG PHE A 769 4.235 4.943 -5.005 1.00 1.34 C ATOM 982 CD1 PHE A 769 3.587 5.788 -5.892 1.00 44.21 C ATOM 983 CD2 PHE A 769 4.189 5.237 -3.652 1.00 24.25 C ATOM 984 CE1 PHE A 769 2.905 6.902 -5.437 1.00 3.31 C ATOM 985 CE2 PHE A 769 3.511 6.347 -3.192 1.00 2.34 C ATOM 986 CZ PHE A 769 2.867 7.181 -4.086 1.00 21.31 C ATOM 0 H PHE A 769 2.186 2.820 -6.595 1.00 3.14 H new ATOM 0 HA PHE A 769 4.708 1.656 -6.009 1.00 33.01 H new ATOM 0 HB2 PHE A 769 5.744 3.467 -4.773 1.00 21.11 H new ATOM 0 HB3 PHE A 769 5.487 3.984 -6.427 1.00 21.11 H new ATOM 0 HD1 PHE A 769 3.615 5.574 -6.950 1.00 44.21 H new ATOM 0 HD2 PHE A 769 4.690 4.589 -2.948 1.00 24.25 H new ATOM 0 HE1 PHE A 769 2.403 7.552 -6.138 1.00 3.31 H new ATOM 0 HE2 PHE A 769 3.484 6.564 -2.134 1.00 2.34 H new ATOM 0 HZ PHE A 769 2.335 8.050 -3.728 1.00 21.31 H new ATOM 996 N PRO A 770 3.836 1.223 -3.687 1.00 74.41 N ATOM 997 CA PRO A 770 5.010 0.451 -4.043 1.00 71.34 C ATOM 998 C PRO A 770 4.628 -0.914 -4.611 1.00 0.04 C ATOM 999 O PRO A 770 3.448 -1.258 -4.673 1.00 33.13 O ATOM 1000 CB PRO A 770 5.693 0.291 -2.690 1.00 13.43 C ATOM 1001 CG PRO A 770 4.566 0.210 -1.708 1.00 75.43 C ATOM 1002 CD PRO A 770 3.356 0.851 -2.355 1.00 4.21 C ATOM 0 HA PRO A 770 5.626 0.921 -4.810 1.00 71.34 H new ATOM 0 HB2 PRO A 770 6.310 -0.607 -2.661 1.00 13.43 H new ATOM 0 HB3 PRO A 770 6.348 1.135 -2.474 1.00 13.43 H new ATOM 0 HG2 PRO A 770 4.358 -0.828 -1.447 1.00 75.43 H new ATOM 0 HG3 PRO A 770 4.825 0.725 -0.783 1.00 75.43 H new ATOM 0 HD2 PRO A 770 2.516 0.158 -2.410 1.00 4.21 H new ATOM 0 HD3 PRO A 770 3.015 1.721 -1.794 1.00 4.21 H new ATOM 1010 N ALA A 771 5.618 -1.682 -5.029 1.00 1.01 N ATOM 1011 CA ALA A 771 5.387 -3.053 -5.457 1.00 70.41 C ATOM 1012 C ALA A 771 6.016 -4.021 -4.464 1.00 71.01 C ATOM 1013 O ALA A 771 7.227 -4.256 -4.486 1.00 71.31 O ATOM 1014 CB ALA A 771 5.936 -3.281 -6.857 1.00 51.23 C ATOM 0 H ALA A 771 6.591 -1.381 -5.082 1.00 1.01 H new ATOM 0 HA ALA A 771 4.312 -3.234 -5.487 1.00 70.41 H new ATOM 0 HB1 ALA A 771 5.752 -4.313 -7.156 1.00 51.23 H new ATOM 0 HB2 ALA A 771 5.441 -2.607 -7.556 1.00 51.23 H new ATOM 0 HB3 ALA A 771 7.009 -3.087 -6.863 1.00 51.23 H new ATOM 1020 N VAL A 772 5.191 -4.559 -3.580 1.00 75.10 N ATOM 1021 CA VAL A 772 5.665 -5.455 -2.535 1.00 25.33 C ATOM 1022 C VAL A 772 5.279 -6.896 -2.838 1.00 50.34 C ATOM 1023 O VAL A 772 4.378 -7.152 -3.639 1.00 21.24 O ATOM 1024 CB VAL A 772 5.111 -5.062 -1.148 1.00 72.13 C ATOM 1025 CG1 VAL A 772 5.566 -3.662 -0.762 1.00 75.13 C ATOM 1026 CG2 VAL A 772 3.594 -5.160 -1.123 1.00 11.53 C ATOM 0 H VAL A 772 4.185 -4.390 -3.565 1.00 75.10 H new ATOM 0 HA VAL A 772 6.751 -5.366 -2.513 1.00 25.33 H new ATOM 0 HB VAL A 772 5.508 -5.764 -0.415 1.00 72.13 H new ATOM 0 HG11 VAL A 772 5.164 -3.406 0.218 1.00 75.13 H new ATOM 0 HG12 VAL A 772 6.655 -3.630 -0.727 1.00 75.13 H new ATOM 0 HG13 VAL A 772 5.205 -2.946 -1.500 1.00 75.13 H new ATOM 0 HG21 VAL A 772 3.227 -4.878 -0.136 1.00 11.53 H new ATOM 0 HG22 VAL A 772 3.174 -4.488 -1.871 1.00 11.53 H new ATOM 0 HG23 VAL A 772 3.292 -6.184 -1.344 1.00 11.53 H new ATOM 1036 N CYS A 773 5.962 -7.831 -2.198 1.00 54.02 N ATOM 1037 CA CYS A 773 5.718 -9.243 -2.429 1.00 35.53 C ATOM 1038 C CYS A 773 5.422 -9.960 -1.114 1.00 43.42 C ATOM 1039 O CYS A 773 6.284 -10.055 -0.238 1.00 10.54 O ATOM 1040 CB CYS A 773 6.932 -9.875 -3.112 1.00 30.40 C ATOM 1041 SG CYS A 773 7.475 -9.007 -4.603 1.00 12.25 S ATOM 0 H CYS A 773 6.692 -7.635 -1.513 1.00 54.02 H new ATOM 0 HA CYS A 773 4.849 -9.345 -3.079 1.00 35.53 H new ATOM 0 HB2 CYS A 773 7.759 -9.908 -2.402 1.00 30.40 H new ATOM 0 HB3 CYS A 773 6.693 -10.906 -3.371 1.00 30.40 H new ATOM 0 HG CYS A 773 8.508 -9.615 -5.107 1.00 12.25 H new ATOM 1047 N ALA A 774 4.199 -10.453 -0.978 1.00 10.32 N ATOM 1048 CA ALA A 774 3.802 -11.194 0.211 1.00 2.40 C ATOM 1049 C ALA A 774 3.173 -12.521 -0.190 1.00 15.31 C ATOM 1050 O ALA A 774 2.628 -12.645 -1.281 1.00 41.22 O ATOM 1051 CB ALA A 774 2.831 -10.378 1.053 1.00 53.32 C ATOM 0 H ALA A 774 3.463 -10.353 -1.678 1.00 10.32 H new ATOM 0 HA ALA A 774 4.690 -11.391 0.812 1.00 2.40 H new ATOM 0 HB1 ALA A 774 2.547 -10.949 1.937 1.00 53.32 H new ATOM 0 HB2 ALA A 774 3.309 -9.448 1.361 1.00 53.32 H new ATOM 0 HB3 ALA A 774 1.941 -10.152 0.465 1.00 53.32 H new ATOM 1057 N HIS A 775 3.252 -13.511 0.687 1.00 21.23 N ATOM 1058 CA HIS A 775 2.670 -14.822 0.405 1.00 23.23 C ATOM 1059 C HIS A 775 1.184 -14.859 0.747 1.00 23.03 C ATOM 1060 O HIS A 775 0.598 -15.930 0.915 1.00 41.44 O ATOM 1061 CB HIS A 775 3.426 -15.947 1.134 1.00 13.43 C ATOM 1062 CG HIS A 775 3.603 -15.742 2.609 1.00 34.23 C ATOM 1063 ND1 HIS A 775 4.814 -15.909 3.239 1.00 5.24 N ATOM 1064 CD2 HIS A 775 2.724 -15.398 3.578 1.00 61.12 C ATOM 1065 CE1 HIS A 775 4.675 -15.675 4.527 1.00 41.24 C ATOM 1066 NE2 HIS A 775 3.418 -15.364 4.757 1.00 73.30 N ATOM 0 H HIS A 775 3.710 -13.436 1.595 1.00 21.23 H new ATOM 0 HA HIS A 775 2.772 -14.992 -0.667 1.00 23.23 H new ATOM 0 HB2 HIS A 775 2.893 -16.884 0.974 1.00 13.43 H new ATOM 0 HB3 HIS A 775 4.410 -16.058 0.678 1.00 13.43 H new ATOM 0 HD1 HIS A 775 5.685 -16.173 2.779 1.00 5.24 H new ATOM 0 HD2 HIS A 775 1.673 -15.189 3.446 1.00 61.12 H new ATOM 0 HE1 HIS A 775 5.459 -15.729 5.268 1.00 41.24 H new ATOM 1075 N SER A 776 0.579 -13.687 0.841 1.00 75.22 N ATOM 1076 CA SER A 776 -0.848 -13.574 1.068 1.00 54.54 C ATOM 1077 C SER A 776 -1.349 -12.256 0.492 1.00 32.50 C ATOM 1078 O SER A 776 -0.652 -11.240 0.551 1.00 44.21 O ATOM 1079 CB SER A 776 -1.164 -13.672 2.561 1.00 43.45 C ATOM 1080 OG SER A 776 -2.562 -13.701 2.792 1.00 40.11 O ATOM 0 H SER A 776 1.062 -12.792 0.762 1.00 75.22 H new ATOM 0 HA SER A 776 -1.358 -14.396 0.566 1.00 54.54 H new ATOM 0 HB2 SER A 776 -0.707 -14.572 2.973 1.00 43.45 H new ATOM 0 HB3 SER A 776 -0.725 -12.823 3.084 1.00 43.45 H new ATOM 0 HG SER A 776 -2.733 -13.766 3.755 1.00 40.11 H new ATOM 1086 N LYS A 777 -2.549 -12.282 -0.068 1.00 53.44 N ATOM 1087 CA LYS A 777 -3.121 -11.124 -0.741 1.00 73.02 C ATOM 1088 C LYS A 777 -3.278 -9.936 0.202 1.00 71.30 C ATOM 1089 O LYS A 777 -2.785 -8.843 -0.080 1.00 64.21 O ATOM 1090 CB LYS A 777 -4.484 -11.473 -1.322 1.00 43.42 C ATOM 1091 CG LYS A 777 -5.126 -10.318 -2.068 1.00 60.10 C ATOM 1092 CD LYS A 777 -6.635 -10.439 -2.089 1.00 2.41 C ATOM 1093 CE LYS A 777 -7.081 -11.754 -2.708 1.00 3.51 C ATOM 1094 NZ LYS A 777 -8.552 -11.939 -2.625 1.00 61.54 N ATOM 0 H LYS A 777 -3.153 -13.104 -0.069 1.00 53.44 H new ATOM 0 HA LYS A 777 -2.431 -10.845 -1.537 1.00 73.02 H new ATOM 0 HB2 LYS A 777 -4.378 -12.321 -1.999 1.00 43.42 H new ATOM 0 HB3 LYS A 777 -5.146 -11.790 -0.516 1.00 43.42 H new ATOM 0 HG2 LYS A 777 -4.842 -9.377 -1.597 1.00 60.10 H new ATOM 0 HG3 LYS A 777 -4.748 -10.289 -3.090 1.00 60.10 H new ATOM 0 HD2 LYS A 777 -7.021 -10.365 -1.072 1.00 2.41 H new ATOM 0 HD3 LYS A 777 -7.060 -9.608 -2.652 1.00 2.41 H new ATOM 0 HE2 LYS A 777 -6.770 -11.787 -3.752 1.00 3.51 H new ATOM 0 HE3 LYS A 777 -6.583 -12.580 -2.201 1.00 3.51 H new ATOM 0 HZ1 LYS A 777 -8.813 -12.848 -3.058 1.00 61.54 H new ATOM 0 HZ2 LYS A 777 -8.847 -11.934 -1.628 1.00 61.54 H new ATOM 0 HZ3 LYS A 777 -9.028 -11.165 -3.131 1.00 61.54 H new ATOM 1108 N LYS A 778 -3.977 -10.147 1.312 1.00 31.04 N ATOM 1109 CA LYS A 778 -4.272 -9.061 2.235 1.00 35.32 C ATOM 1110 C LYS A 778 -2.991 -8.540 2.877 1.00 62.25 C ATOM 1111 O LYS A 778 -2.884 -7.353 3.186 1.00 11.33 O ATOM 1112 CB LYS A 778 -5.277 -9.507 3.299 1.00 74.13 C ATOM 1113 CG LYS A 778 -5.765 -8.374 4.185 1.00 71.02 C ATOM 1114 CD LYS A 778 -6.928 -8.812 5.057 1.00 1.11 C ATOM 1115 CE LYS A 778 -7.469 -7.657 5.882 1.00 44.54 C ATOM 1116 NZ LYS A 778 -8.708 -8.031 6.614 1.00 14.22 N ATOM 0 H LYS A 778 -4.347 -11.055 1.592 1.00 31.04 H new ATOM 0 HA LYS A 778 -4.724 -8.246 1.670 1.00 35.32 H new ATOM 0 HB2 LYS A 778 -6.134 -9.968 2.807 1.00 74.13 H new ATOM 0 HB3 LYS A 778 -4.817 -10.273 3.923 1.00 74.13 H new ATOM 0 HG2 LYS A 778 -4.947 -8.025 4.816 1.00 71.02 H new ATOM 0 HG3 LYS A 778 -6.071 -7.531 3.565 1.00 71.02 H new ATOM 0 HD2 LYS A 778 -7.723 -9.217 4.430 1.00 1.11 H new ATOM 0 HD3 LYS A 778 -6.605 -9.615 5.720 1.00 1.11 H new ATOM 0 HE2 LYS A 778 -6.710 -7.333 6.594 1.00 44.54 H new ATOM 0 HE3 LYS A 778 -7.675 -6.809 5.228 1.00 44.54 H new ATOM 0 HZ1 LYS A 778 -9.045 -7.216 7.165 1.00 14.22 H new ATOM 0 HZ2 LYS A 778 -9.441 -8.316 5.933 1.00 14.22 H new ATOM 0 HZ3 LYS A 778 -8.506 -8.823 7.257 1.00 14.22 H new ATOM 1130 N GLN A 779 -2.016 -9.426 3.061 1.00 71.43 N ATOM 1131 CA GLN A 779 -0.691 -9.009 3.507 1.00 55.20 C ATOM 1132 C GLN A 779 -0.078 -8.079 2.474 1.00 20.10 C ATOM 1133 O GLN A 779 0.442 -7.021 2.811 1.00 13.33 O ATOM 1134 CB GLN A 779 0.235 -10.207 3.721 1.00 34.34 C ATOM 1135 CG GLN A 779 -0.186 -11.123 4.852 1.00 23.41 C ATOM 1136 CD GLN A 779 0.812 -12.237 5.095 1.00 22.11 C ATOM 1137 OE1 GLN A 779 1.499 -12.680 4.176 1.00 31.30 O ATOM 1138 NE2 GLN A 779 0.894 -12.699 6.331 1.00 74.10 N ATOM 0 H GLN A 779 -2.117 -10.430 2.909 1.00 71.43 H new ATOM 0 HA GLN A 779 -0.805 -8.494 4.461 1.00 55.20 H new ATOM 0 HB2 GLN A 779 0.282 -10.785 2.798 1.00 34.34 H new ATOM 0 HB3 GLN A 779 1.243 -9.842 3.920 1.00 34.34 H new ATOM 0 HG2 GLN A 779 -0.303 -10.539 5.765 1.00 23.41 H new ATOM 0 HG3 GLN A 779 -1.160 -11.555 4.623 1.00 23.41 H new ATOM 0 HE21 GLN A 779 0.305 -12.303 7.064 1.00 74.10 H new ATOM 0 HE22 GLN A 779 1.546 -13.452 6.552 1.00 74.10 H new ATOM 1147 N GLY A 780 -0.166 -8.483 1.210 1.00 52.44 N ATOM 1148 CA GLY A 780 0.342 -7.670 0.125 1.00 0.30 C ATOM 1149 C GLY A 780 -0.280 -6.292 0.105 1.00 22.55 C ATOM 1150 O GLY A 780 0.425 -5.292 -0.001 1.00 52.13 O ATOM 0 H GLY A 780 -0.584 -9.367 0.919 1.00 52.44 H new ATOM 0 HA2 GLY A 780 1.424 -7.577 0.218 1.00 0.30 H new ATOM 0 HA3 GLY A 780 0.146 -8.169 -0.824 1.00 0.30 H new ATOM 1154 N LYS A 781 -1.605 -6.238 0.217 1.00 61.33 N ATOM 1155 CA LYS A 781 -2.313 -4.963 0.272 1.00 21.44 C ATOM 1156 C LYS A 781 -1.845 -4.116 1.458 1.00 71.14 C ATOM 1157 O LYS A 781 -1.612 -2.916 1.316 1.00 3.11 O ATOM 1158 CB LYS A 781 -3.825 -5.193 0.357 1.00 73.31 C ATOM 1159 CG LYS A 781 -4.401 -5.940 -0.836 1.00 20.05 C ATOM 1160 CD LYS A 781 -5.912 -6.074 -0.740 1.00 75.45 C ATOM 1161 CE LYS A 781 -6.595 -4.714 -0.777 1.00 40.45 C ATOM 1162 NZ LYS A 781 -8.066 -4.824 -0.603 1.00 64.40 N ATOM 0 H LYS A 781 -2.208 -7.059 0.271 1.00 61.33 H new ATOM 0 HA LYS A 781 -2.086 -4.419 -0.645 1.00 21.44 H new ATOM 0 HB2 LYS A 781 -4.047 -5.752 1.266 1.00 73.31 H new ATOM 0 HB3 LYS A 781 -4.325 -4.229 0.446 1.00 73.31 H new ATOM 0 HG2 LYS A 781 -4.140 -5.415 -1.755 1.00 20.05 H new ATOM 0 HG3 LYS A 781 -3.951 -6.931 -0.897 1.00 20.05 H new ATOM 0 HD2 LYS A 781 -6.277 -6.688 -1.563 1.00 75.45 H new ATOM 0 HD3 LYS A 781 -6.175 -6.590 0.184 1.00 75.45 H new ATOM 0 HE2 LYS A 781 -6.184 -4.080 0.009 1.00 40.45 H new ATOM 0 HE3 LYS A 781 -6.378 -4.225 -1.727 1.00 40.45 H new ATOM 0 HZ1 LYS A 781 -8.491 -3.875 -0.635 1.00 64.40 H new ATOM 0 HZ2 LYS A 781 -8.463 -5.407 -1.367 1.00 64.40 H new ATOM 0 HZ3 LYS A 781 -8.275 -5.267 0.315 1.00 64.40 H new ATOM 1176 N GLN A 782 -1.694 -4.746 2.620 1.00 21.43 N ATOM 1177 CA GLN A 782 -1.283 -4.033 3.828 1.00 4.23 C ATOM 1178 C GLN A 782 0.162 -3.553 3.728 1.00 52.40 C ATOM 1179 O GLN A 782 0.459 -2.404 4.049 1.00 63.52 O ATOM 1180 CB GLN A 782 -1.448 -4.912 5.068 1.00 45.03 C ATOM 1181 CG GLN A 782 -2.895 -5.171 5.449 1.00 54.04 C ATOM 1182 CD GLN A 782 -3.021 -5.984 6.723 1.00 71.45 C ATOM 1183 OE1 GLN A 782 -3.082 -5.432 7.824 1.00 12.14 O ATOM 1184 NE2 GLN A 782 -3.055 -7.299 6.586 1.00 11.03 N ATOM 0 H GLN A 782 -1.849 -5.745 2.752 1.00 21.43 H new ATOM 0 HA GLN A 782 -1.932 -3.162 3.922 1.00 4.23 H new ATOM 0 HB2 GLN A 782 -0.952 -5.867 4.893 1.00 45.03 H new ATOM 0 HB3 GLN A 782 -0.940 -4.438 5.908 1.00 45.03 H new ATOM 0 HG2 GLN A 782 -3.410 -4.219 5.576 1.00 54.04 H new ATOM 0 HG3 GLN A 782 -3.394 -5.697 4.635 1.00 54.04 H new ATOM 0 HE21 GLN A 782 -3.002 -7.716 5.657 1.00 11.03 H new ATOM 0 HE22 GLN A 782 -3.134 -7.896 7.409 1.00 11.03 H new ATOM 1193 N GLU A 783 1.055 -4.433 3.285 1.00 34.30 N ATOM 1194 CA GLU A 783 2.467 -4.084 3.150 1.00 12.25 C ATOM 1195 C GLU A 783 2.649 -2.991 2.107 1.00 72.34 C ATOM 1196 O GLU A 783 3.461 -2.082 2.285 1.00 72.14 O ATOM 1197 CB GLU A 783 3.308 -5.308 2.777 1.00 13.13 C ATOM 1198 CG GLU A 783 3.308 -6.399 3.836 1.00 42.41 C ATOM 1199 CD GLU A 783 3.701 -5.885 5.203 1.00 65.54 C ATOM 1200 OE1 GLU A 783 4.903 -5.609 5.423 1.00 55.40 O ATOM 1201 OE2 GLU A 783 2.814 -5.753 6.071 1.00 14.14 O ATOM 0 H GLU A 783 0.828 -5.390 3.014 1.00 34.30 H new ATOM 0 HA GLU A 783 2.811 -3.714 4.116 1.00 12.25 H new ATOM 0 HB2 GLU A 783 2.933 -5.723 1.841 1.00 13.13 H new ATOM 0 HB3 GLU A 783 4.335 -4.990 2.596 1.00 13.13 H new ATOM 0 HG2 GLU A 783 2.315 -6.846 3.892 1.00 42.41 H new ATOM 0 HG3 GLU A 783 3.997 -7.189 3.538 1.00 42.41 H new ATOM 1208 N ALA A 784 1.886 -3.081 1.021 1.00 12.51 N ATOM 1209 CA ALA A 784 1.923 -2.061 -0.014 1.00 41.21 C ATOM 1210 C ALA A 784 1.473 -0.721 0.545 1.00 62.43 C ATOM 1211 O ALA A 784 2.151 0.286 0.380 1.00 33.24 O ATOM 1212 CB ALA A 784 1.053 -2.461 -1.197 1.00 13.32 C ATOM 0 H ALA A 784 1.238 -3.848 0.838 1.00 12.51 H new ATOM 0 HA ALA A 784 2.951 -1.965 -0.362 1.00 41.21 H new ATOM 0 HB1 ALA A 784 1.096 -1.683 -1.959 1.00 13.32 H new ATOM 0 HB2 ALA A 784 1.417 -3.400 -1.615 1.00 13.32 H new ATOM 0 HB3 ALA A 784 0.023 -2.587 -0.865 1.00 13.32 H new ATOM 1218 N ALA A 785 0.341 -0.725 1.232 1.00 53.32 N ATOM 1219 CA ALA A 785 -0.205 0.491 1.813 1.00 20.32 C ATOM 1220 C ALA A 785 0.753 1.090 2.836 1.00 2.11 C ATOM 1221 O ALA A 785 0.959 2.302 2.867 1.00 41.45 O ATOM 1222 CB ALA A 785 -1.552 0.204 2.445 1.00 3.33 C ATOM 0 H ALA A 785 -0.219 -1.561 1.401 1.00 53.32 H new ATOM 0 HA ALA A 785 -0.338 1.223 1.016 1.00 20.32 H new ATOM 0 HB1 ALA A 785 -1.954 1.120 2.878 1.00 3.33 H new ATOM 0 HB2 ALA A 785 -2.238 -0.170 1.685 1.00 3.33 H new ATOM 0 HB3 ALA A 785 -1.434 -0.546 3.228 1.00 3.33 H new ATOM 1228 N ASP A 786 1.346 0.230 3.659 1.00 4.20 N ATOM 1229 CA ASP A 786 2.308 0.666 4.668 1.00 22.42 C ATOM 1230 C ASP A 786 3.481 1.379 4.009 1.00 70.13 C ATOM 1231 O ASP A 786 3.796 2.521 4.349 1.00 51.13 O ATOM 1232 CB ASP A 786 2.821 -0.530 5.478 1.00 4.04 C ATOM 1233 CG ASP A 786 3.824 -0.133 6.549 1.00 32.53 C ATOM 1234 OD1 ASP A 786 5.009 0.087 6.217 1.00 5.34 O ATOM 1235 OD2 ASP A 786 3.434 -0.047 7.733 1.00 10.54 O ATOM 0 H ASP A 786 1.177 -0.776 3.647 1.00 4.20 H new ATOM 0 HA ASP A 786 1.802 1.357 5.342 1.00 22.42 H new ATOM 0 HB2 ASP A 786 1.976 -1.034 5.948 1.00 4.04 H new ATOM 0 HB3 ASP A 786 3.284 -1.248 4.802 1.00 4.04 H new ATOM 1240 N ALA A 787 4.105 0.707 3.051 1.00 10.12 N ATOM 1241 CA ALA A 787 5.262 1.256 2.361 1.00 63.44 C ATOM 1242 C ALA A 787 4.882 2.488 1.547 1.00 25.44 C ATOM 1243 O ALA A 787 5.670 3.424 1.424 1.00 55.32 O ATOM 1244 CB ALA A 787 5.904 0.199 1.474 1.00 13.43 C ATOM 0 H ALA A 787 3.827 -0.222 2.734 1.00 10.12 H new ATOM 0 HA ALA A 787 5.990 1.564 3.112 1.00 63.44 H new ATOM 0 HB1 ALA A 787 6.768 0.627 0.965 1.00 13.43 H new ATOM 0 HB2 ALA A 787 6.224 -0.644 2.086 1.00 13.43 H new ATOM 0 HB3 ALA A 787 5.180 -0.144 0.734 1.00 13.43 H new ATOM 1250 N ALA A 788 3.668 2.489 1.005 1.00 31.23 N ATOM 1251 CA ALA A 788 3.171 3.631 0.249 1.00 21.24 C ATOM 1252 C ALA A 788 3.109 4.871 1.126 1.00 61.20 C ATOM 1253 O ALA A 788 3.538 5.949 0.715 1.00 45.22 O ATOM 1254 CB ALA A 788 1.800 3.333 -0.335 1.00 34.22 C ATOM 0 H ALA A 788 3.011 1.712 1.076 1.00 31.23 H new ATOM 0 HA ALA A 788 3.864 3.820 -0.571 1.00 21.24 H new ATOM 0 HB1 ALA A 788 1.447 4.199 -0.896 1.00 34.22 H new ATOM 0 HB2 ALA A 788 1.867 2.473 -1.001 1.00 34.22 H new ATOM 0 HB3 ALA A 788 1.101 3.114 0.472 1.00 34.22 H new ATOM 1260 N LEU A 789 2.600 4.711 2.344 1.00 44.34 N ATOM 1261 CA LEU A 789 2.504 5.820 3.276 1.00 74.21 C ATOM 1262 C LEU A 789 3.892 6.336 3.623 1.00 41.24 C ATOM 1263 O LEU A 789 4.088 7.537 3.774 1.00 14.42 O ATOM 1264 CB LEU A 789 1.756 5.410 4.547 1.00 73.30 C ATOM 1265 CG LEU A 789 0.332 4.896 4.327 1.00 31.42 C ATOM 1266 CD1 LEU A 789 -0.367 4.666 5.656 1.00 1.43 C ATOM 1267 CD2 LEU A 789 -0.457 5.865 3.464 1.00 23.15 C ATOM 0 H LEU A 789 2.249 3.824 2.704 1.00 44.34 H new ATOM 0 HA LEU A 789 1.939 6.619 2.796 1.00 74.21 H new ATOM 0 HB2 LEU A 789 2.331 4.635 5.054 1.00 73.30 H new ATOM 0 HB3 LEU A 789 1.716 6.268 5.219 1.00 73.30 H new ATOM 0 HG LEU A 789 0.389 3.941 3.804 1.00 31.42 H new ATOM 0 HD11 LEU A 789 -1.378 4.301 5.477 1.00 1.43 H new ATOM 0 HD12 LEU A 789 0.188 3.929 6.236 1.00 1.43 H new ATOM 0 HD13 LEU A 789 -0.413 5.604 6.210 1.00 1.43 H new ATOM 0 HD21 LEU A 789 -1.467 5.483 3.318 1.00 23.15 H new ATOM 0 HD22 LEU A 789 -0.504 6.836 3.957 1.00 23.15 H new ATOM 0 HD23 LEU A 789 0.033 5.973 2.496 1.00 23.15 H new ATOM 1279 N ARG A 790 4.857 5.423 3.720 1.00 63.30 N ATOM 1280 CA ARG A 790 6.245 5.801 3.985 1.00 10.34 C ATOM 1281 C ARG A 790 6.736 6.753 2.899 1.00 1.40 C ATOM 1282 O ARG A 790 7.355 7.779 3.186 1.00 33.12 O ATOM 1283 CB ARG A 790 7.158 4.571 4.012 1.00 64.02 C ATOM 1284 CG ARG A 790 6.629 3.408 4.829 1.00 12.14 C ATOM 1285 CD ARG A 790 6.565 3.714 6.313 1.00 71.12 C ATOM 1286 NE ARG A 790 6.000 2.592 7.059 1.00 54.13 N ATOM 1287 CZ ARG A 790 6.191 2.371 8.359 1.00 70.22 C ATOM 1288 NH1 ARG A 790 6.989 3.158 9.075 1.00 21.13 N ATOM 1289 NH2 ARG A 790 5.588 1.346 8.941 1.00 34.04 N ATOM 0 H ARG A 790 4.705 4.419 3.620 1.00 63.30 H new ATOM 0 HA ARG A 790 6.280 6.288 4.960 1.00 10.34 H new ATOM 0 HB2 ARG A 790 7.321 4.234 2.988 1.00 64.02 H new ATOM 0 HB3 ARG A 790 8.129 4.865 4.410 1.00 64.02 H new ATOM 0 HG2 ARG A 790 5.633 3.144 4.474 1.00 12.14 H new ATOM 0 HG3 ARG A 790 7.266 2.538 4.669 1.00 12.14 H new ATOM 0 HD2 ARG A 790 7.565 3.935 6.685 1.00 71.12 H new ATOM 0 HD3 ARG A 790 5.960 4.605 6.478 1.00 71.12 H new ATOM 0 HE ARG A 790 5.417 1.930 6.547 1.00 54.13 H new ATOM 0 HH11 ARG A 790 7.464 3.943 8.630 1.00 21.13 H new ATOM 0 HH12 ARG A 790 7.126 2.977 10.069 1.00 21.13 H new ATOM 0 HH21 ARG A 790 4.983 0.733 8.395 1.00 34.04 H new ATOM 0 HH22 ARG A 790 5.729 1.169 9.936 1.00 34.04 H new ATOM 1303 N VAL A 791 6.443 6.401 1.650 1.00 23.40 N ATOM 1304 CA VAL A 791 6.822 7.216 0.503 1.00 21.42 C ATOM 1305 C VAL A 791 6.164 8.588 0.586 1.00 74.14 C ATOM 1306 O VAL A 791 6.819 9.613 0.400 1.00 65.44 O ATOM 1307 CB VAL A 791 6.408 6.542 -0.826 1.00 31.34 C ATOM 1308 CG1 VAL A 791 6.935 7.316 -2.022 1.00 34.54 C ATOM 1309 CG2 VAL A 791 6.882 5.101 -0.875 1.00 51.13 C ATOM 0 H VAL A 791 5.939 5.548 1.407 1.00 23.40 H new ATOM 0 HA VAL A 791 7.907 7.323 0.523 1.00 21.42 H new ATOM 0 HB VAL A 791 5.319 6.547 -0.873 1.00 31.34 H new ATOM 0 HG11 VAL A 791 6.628 6.818 -2.942 1.00 34.54 H new ATOM 0 HG12 VAL A 791 6.532 8.329 -2.006 1.00 34.54 H new ATOM 0 HG13 VAL A 791 8.023 7.357 -1.978 1.00 34.54 H new ATOM 0 HG21 VAL A 791 6.578 4.650 -1.820 1.00 51.13 H new ATOM 0 HG22 VAL A 791 7.968 5.072 -0.792 1.00 51.13 H new ATOM 0 HG23 VAL A 791 6.440 4.544 -0.048 1.00 51.13 H new ATOM 1319 N LEU A 792 4.869 8.588 0.881 1.00 70.21 N ATOM 1320 CA LEU A 792 4.089 9.819 0.973 1.00 75.12 C ATOM 1321 C LEU A 792 4.619 10.717 2.084 1.00 62.25 C ATOM 1322 O LEU A 792 4.868 11.906 1.876 1.00 71.24 O ATOM 1323 CB LEU A 792 2.622 9.490 1.250 1.00 11.13 C ATOM 1324 CG LEU A 792 2.000 8.456 0.312 1.00 44.21 C ATOM 1325 CD1 LEU A 792 0.574 8.144 0.734 1.00 51.31 C ATOM 1326 CD2 LEU A 792 2.044 8.943 -1.128 1.00 5.50 C ATOM 0 H LEU A 792 4.332 7.740 1.062 1.00 70.21 H new ATOM 0 HA LEU A 792 4.176 10.345 0.022 1.00 75.12 H new ATOM 0 HB2 LEU A 792 2.534 9.127 2.274 1.00 11.13 H new ATOM 0 HB3 LEU A 792 2.041 10.410 1.187 1.00 11.13 H new ATOM 0 HG LEU A 792 2.583 7.537 0.376 1.00 44.21 H new ATOM 0 HD11 LEU A 792 0.147 7.406 0.055 1.00 51.31 H new ATOM 0 HD12 LEU A 792 0.574 7.746 1.749 1.00 51.31 H new ATOM 0 HD13 LEU A 792 -0.023 9.055 0.701 1.00 51.31 H new ATOM 0 HD21 LEU A 792 1.596 8.193 -1.780 1.00 5.50 H new ATOM 0 HD22 LEU A 792 1.488 9.876 -1.214 1.00 5.50 H new ATOM 0 HD23 LEU A 792 3.080 9.110 -1.424 1.00 5.50 H new ATOM 1338 N ILE A 793 4.781 10.133 3.265 1.00 33.04 N ATOM 1339 CA ILE A 793 5.279 10.855 4.426 1.00 2.13 C ATOM 1340 C ILE A 793 6.663 11.430 4.152 1.00 61.04 C ATOM 1341 O ILE A 793 6.876 12.632 4.284 1.00 2.23 O ATOM 1342 CB ILE A 793 5.321 9.936 5.671 1.00 51.13 C ATOM 1343 CG1 ILE A 793 3.903 9.489 6.037 1.00 30.32 C ATOM 1344 CG2 ILE A 793 5.976 10.646 6.850 1.00 5.33 C ATOM 1345 CD1 ILE A 793 3.858 8.349 7.031 1.00 64.30 C ATOM 0 H ILE A 793 4.572 9.151 3.443 1.00 33.04 H new ATOM 0 HA ILE A 793 4.593 11.678 4.626 1.00 2.13 H new ATOM 0 HB ILE A 793 5.920 9.057 5.433 1.00 51.13 H new ATOM 0 HG12 ILE A 793 3.359 10.339 6.449 1.00 30.32 H new ATOM 0 HG13 ILE A 793 3.382 9.187 5.129 1.00 30.32 H new ATOM 0 HG21 ILE A 793 5.993 9.979 7.712 1.00 5.33 H new ATOM 0 HG22 ILE A 793 6.996 10.924 6.586 1.00 5.33 H new ATOM 0 HG23 ILE A 793 5.407 11.543 7.096 1.00 5.33 H new ATOM 0 HD11 ILE A 793 2.820 8.089 7.240 1.00 64.30 H new ATOM 0 HD12 ILE A 793 4.372 7.483 6.615 1.00 64.30 H new ATOM 0 HD13 ILE A 793 4.349 8.653 7.955 1.00 64.30 H new ATOM 1357 N GLY A 794 7.583 10.572 3.729 1.00 61.42 N ATOM 1358 CA GLY A 794 8.940 11.009 3.459 1.00 13.22 C ATOM 1359 C GLY A 794 9.007 12.068 2.375 1.00 22.42 C ATOM 1360 O GLY A 794 9.875 12.939 2.399 1.00 42.24 O ATOM 0 H GLY A 794 7.413 9.579 3.568 1.00 61.42 H new ATOM 0 HA2 GLY A 794 9.380 11.404 4.375 1.00 13.22 H new ATOM 0 HA3 GLY A 794 9.542 10.150 3.161 1.00 13.22 H new ATOM 1364 N GLU A 795 8.085 11.990 1.426 1.00 62.22 N ATOM 1365 CA GLU A 795 8.011 12.951 0.334 1.00 20.11 C ATOM 1366 C GLU A 795 7.664 14.335 0.879 1.00 74.43 C ATOM 1367 O GLU A 795 8.329 15.325 0.573 1.00 0.40 O ATOM 1368 CB GLU A 795 6.959 12.476 -0.681 1.00 75.21 C ATOM 1369 CG GLU A 795 6.988 13.188 -2.027 1.00 15.31 C ATOM 1370 CD GLU A 795 6.231 14.500 -2.033 1.00 62.25 C ATOM 1371 OE1 GLU A 795 4.987 14.477 -1.915 1.00 44.21 O ATOM 1372 OE2 GLU A 795 6.875 15.559 -2.168 1.00 62.30 O ATOM 0 H GLU A 795 7.371 11.263 1.391 1.00 62.22 H new ATOM 0 HA GLU A 795 8.977 13.021 -0.167 1.00 20.11 H new ATOM 0 HB2 GLU A 795 7.097 11.408 -0.850 1.00 75.21 H new ATOM 0 HB3 GLU A 795 5.970 12.604 -0.242 1.00 75.21 H new ATOM 0 HG2 GLU A 795 8.024 13.374 -2.308 1.00 15.31 H new ATOM 0 HG3 GLU A 795 6.565 12.530 -2.786 1.00 15.31 H new ATOM 1379 N ASN A 796 6.646 14.389 1.722 1.00 14.24 N ATOM 1380 CA ASN A 796 6.146 15.657 2.233 1.00 64.30 C ATOM 1381 C ASN A 796 7.012 16.184 3.378 1.00 11.00 C ATOM 1382 O ASN A 796 7.061 17.389 3.626 1.00 71.31 O ATOM 1383 CB ASN A 796 4.703 15.497 2.702 1.00 43.23 C ATOM 1384 CG ASN A 796 4.029 16.828 2.973 1.00 23.20 C ATOM 1385 OD1 ASN A 796 4.020 17.317 4.102 1.00 23.01 O ATOM 1386 ND2 ASN A 796 3.474 17.425 1.931 1.00 63.02 N ATOM 0 H ASN A 796 6.148 13.569 2.068 1.00 14.24 H new ATOM 0 HA ASN A 796 6.187 16.384 1.422 1.00 64.30 H new ATOM 0 HB2 ASN A 796 4.137 14.954 1.945 1.00 43.23 H new ATOM 0 HB3 ASN A 796 4.684 14.893 3.609 1.00 43.23 H new ATOM 0 HD21 ASN A 796 3.014 18.328 2.046 1.00 63.02 H new ATOM 0 HD22 ASN A 796 3.506 16.982 1.013 1.00 63.02 H new