USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 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 778 LYS NZ :NH3+ -178:sc= 1.26 (180deg=-0.0476) USER MOD Set 1.2: A 782 GLN : amide:sc= 0.274 K(o=1.5,f=-12!) USER MOD Set 2.1: A 775 HIS : no HE2:sc= 0.882 K(o=0.99,f=-3!) USER MOD Set 2.2: A 779 GLN : amide:sc= 0.11 K(o=0.99,f=-4.8!) USER MOD Single : A 722 TYR OH : rot -127:sc= 1.36 USER MOD Single : A 724 ASN : amide:sc=-0.00866 K(o=-0.0087,f=-0.53) USER MOD Single : A 725 THR OG1 : rot 80:sc= 0.969 USER MOD Single : A 726 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.92) 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= -0.13 X(o=-0.13,f=-0.54) USER MOD Single : A 745 LYS NZ :NH3+ 154:sc= 0.00381 (180deg=0) USER MOD Single : A 749 GLN : amide:sc= -0.753 X(o=-0.75,f=-0.82) USER MOD Single : A 750 SER OG : rot -82:sc= 1.2 USER MOD Single : A 754 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-1.9!) USER MOD Single : A 757 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0126) USER MOD Single : A 760 TYR OH : rot 180:sc= -1.51! USER MOD Single : A 761 GLN : amide:sc= -0.791 X(o=-0.79,f=-1.1) USER MOD Single : A 763 LYS NZ :NH3+ -140:sc= 1.77 (180deg=1.13) USER MOD Single : A 773 CYS SG : rot 40:sc= -0.09 USER MOD Single : A 776 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 777 LYS NZ :NH3+ 170:sc= -0.0137 (180deg=-0.137) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.297 15.192 7.413 1.00 72.35 N ATOM 148 CA ILE A 716 1.153 14.022 7.273 1.00 35.00 C ATOM 149 C ILE A 716 1.176 13.207 8.565 1.00 3.03 C ATOM 150 O ILE A 716 1.347 11.987 8.541 1.00 1.35 O ATOM 151 CB ILE A 716 2.593 14.436 6.886 1.00 55.51 C ATOM 152 CG1 ILE A 716 2.581 15.284 5.608 1.00 10.43 C ATOM 153 CG2 ILE A 716 3.484 13.215 6.702 1.00 21.22 C ATOM 154 CD1 ILE A 716 1.989 14.577 4.405 1.00 74.51 C ATOM 0 HA ILE A 716 0.741 13.403 6.476 1.00 35.00 H new ATOM 0 HB ILE A 716 3.002 15.034 7.701 1.00 55.51 H new ATOM 0 HG12 ILE A 716 2.015 16.197 5.795 1.00 10.43 H new ATOM 0 HG13 ILE A 716 3.602 15.584 5.374 1.00 10.43 H new ATOM 0 HG21 ILE A 716 4.490 13.536 6.431 1.00 21.22 H new ATOM 0 HG22 ILE A 716 3.523 12.649 7.633 1.00 21.22 H new ATOM 0 HG23 ILE A 716 3.078 12.585 5.911 1.00 21.22 H new ATOM 0 HD11 ILE A 716 2.017 15.242 3.542 1.00 74.51 H new ATOM 0 HD12 ILE A 716 2.568 13.679 4.190 1.00 74.51 H new ATOM 0 HD13 ILE A 716 0.956 14.301 4.617 1.00 74.51 H new ATOM 166 N GLY A 717 0.972 13.889 9.687 1.00 61.04 N ATOM 167 CA GLY A 717 0.980 13.227 10.978 1.00 72.13 C ATOM 168 C GLY A 717 -0.069 12.140 11.082 1.00 61.45 C ATOM 169 O GLY A 717 0.140 11.124 11.749 1.00 31.33 O ATOM 0 H GLY A 717 0.800 14.894 9.725 1.00 61.04 H new ATOM 0 HA2 GLY A 717 1.965 12.794 11.154 1.00 72.13 H new ATOM 0 HA3 GLY A 717 0.812 13.965 11.762 1.00 72.13 H new ATOM 173 N GLU A 718 -1.194 12.335 10.406 1.00 33.41 N ATOM 174 CA GLU A 718 -2.269 11.360 10.452 1.00 12.31 C ATOM 175 C GLU A 718 -1.990 10.184 9.520 1.00 12.14 C ATOM 176 O GLU A 718 -2.515 9.099 9.721 1.00 10.45 O ATOM 177 CB GLU A 718 -3.620 12.009 10.144 1.00 34.40 C ATOM 178 CG GLU A 718 -4.142 12.849 11.300 1.00 54.33 C ATOM 179 CD GLU A 718 -5.550 13.366 11.077 1.00 62.14 C ATOM 180 OE1 GLU A 718 -6.493 12.555 11.068 1.00 43.10 O ATOM 181 OE2 GLU A 718 -5.720 14.595 10.929 1.00 31.40 O ATOM 0 H GLU A 718 -1.382 13.152 9.825 1.00 33.41 H new ATOM 0 HA GLU A 718 -2.317 10.968 11.468 1.00 12.31 H new ATOM 0 HB2 GLU A 718 -3.524 12.637 9.258 1.00 34.40 H new ATOM 0 HB3 GLU A 718 -4.347 11.232 9.907 1.00 34.40 H new ATOM 0 HG2 GLU A 718 -4.122 12.252 12.212 1.00 54.33 H new ATOM 0 HG3 GLU A 718 -3.472 13.695 11.457 1.00 54.33 H new ATOM 188 N LEU A 719 -1.138 10.378 8.524 1.00 33.50 N ATOM 189 CA LEU A 719 -0.708 9.258 7.692 1.00 14.22 C ATOM 190 C LEU A 719 0.132 8.302 8.532 1.00 43.21 C ATOM 191 O LEU A 719 0.107 7.085 8.339 1.00 4.24 O ATOM 192 CB LEU A 719 0.089 9.729 6.466 1.00 54.22 C ATOM 193 CG LEU A 719 -0.741 10.279 5.296 1.00 53.41 C ATOM 194 CD1 LEU A 719 -1.848 9.309 4.918 1.00 2.40 C ATOM 195 CD2 LEU A 719 -1.319 11.644 5.623 1.00 61.01 C ATOM 0 H LEU A 719 -0.736 11.281 8.273 1.00 33.50 H new ATOM 0 HA LEU A 719 -1.596 8.746 7.322 1.00 14.22 H new ATOM 0 HB2 LEU A 719 0.787 10.503 6.786 1.00 54.22 H new ATOM 0 HB3 LEU A 719 0.685 8.893 6.101 1.00 54.22 H new ATOM 0 HG LEU A 719 -0.074 10.393 4.442 1.00 53.41 H new ATOM 0 HD11 LEU A 719 -2.423 9.719 4.088 1.00 2.40 H new ATOM 0 HD12 LEU A 719 -1.411 8.356 4.621 1.00 2.40 H new ATOM 0 HD13 LEU A 719 -2.505 9.156 5.774 1.00 2.40 H new ATOM 0 HD21 LEU A 719 -1.901 12.005 4.775 1.00 61.01 H new ATOM 0 HD22 LEU A 719 -1.964 11.566 6.498 1.00 61.01 H new ATOM 0 HD23 LEU A 719 -0.508 12.342 5.831 1.00 61.01 H new ATOM 207 N VAL A 720 0.851 8.871 9.494 1.00 62.32 N ATOM 208 CA VAL A 720 1.654 8.089 10.423 1.00 21.41 C ATOM 209 C VAL A 720 0.752 7.314 11.385 1.00 21.34 C ATOM 210 O VAL A 720 1.089 6.211 11.821 1.00 64.33 O ATOM 211 CB VAL A 720 2.613 8.992 11.234 1.00 33.53 C ATOM 212 CG1 VAL A 720 3.536 8.159 12.110 1.00 12.32 C ATOM 213 CG2 VAL A 720 3.419 9.891 10.311 1.00 63.24 C ATOM 0 H VAL A 720 0.893 9.878 9.650 1.00 62.32 H new ATOM 0 HA VAL A 720 2.248 7.389 9.836 1.00 21.41 H new ATOM 0 HB VAL A 720 2.008 9.624 11.884 1.00 33.53 H new ATOM 0 HG11 VAL A 720 4.200 8.818 12.669 1.00 12.32 H new ATOM 0 HG12 VAL A 720 2.941 7.567 12.806 1.00 12.32 H new ATOM 0 HG13 VAL A 720 4.130 7.493 11.483 1.00 12.32 H new ATOM 0 HG21 VAL A 720 4.086 10.517 10.904 1.00 63.24 H new ATOM 0 HG22 VAL A 720 4.008 9.278 9.629 1.00 63.24 H new ATOM 0 HG23 VAL A 720 2.742 10.524 9.738 1.00 63.24 H new ATOM 223 N ARG A 721 -0.408 7.886 11.707 1.00 74.35 N ATOM 224 CA ARG A 721 -1.357 7.227 12.602 1.00 53.51 C ATOM 225 C ARG A 721 -1.917 5.967 11.941 1.00 23.53 C ATOM 226 O ARG A 721 -2.282 5.006 12.618 1.00 33.25 O ATOM 227 CB ARG A 721 -2.504 8.175 13.001 1.00 1.54 C ATOM 228 CG ARG A 721 -3.731 8.093 12.104 1.00 23.23 C ATOM 229 CD ARG A 721 -4.752 9.169 12.426 1.00 45.30 C ATOM 230 NE ARG A 721 -5.931 9.060 11.568 1.00 60.23 N ATOM 231 CZ ARG A 721 -7.185 9.147 12.006 1.00 60.34 C ATOM 232 NH1 ARG A 721 -7.430 9.463 13.272 1.00 74.51 N ATOM 233 NH2 ARG A 721 -8.195 8.956 11.166 1.00 61.12 N ATOM 0 H ARG A 721 -0.711 8.798 11.364 1.00 74.35 H new ATOM 0 HA ARG A 721 -0.824 6.947 13.510 1.00 53.51 H new ATOM 0 HB2 ARG A 721 -2.803 7.952 14.025 1.00 1.54 H new ATOM 0 HB3 ARG A 721 -2.131 9.199 12.993 1.00 1.54 H new ATOM 0 HG2 ARG A 721 -3.424 8.187 11.062 1.00 23.23 H new ATOM 0 HG3 ARG A 721 -4.193 7.112 12.213 1.00 23.23 H new ATOM 0 HD2 ARG A 721 -5.052 9.087 13.471 1.00 45.30 H new ATOM 0 HD3 ARG A 721 -4.299 10.152 12.301 1.00 45.30 H new ATOM 0 HE ARG A 721 -5.783 8.908 10.570 1.00 60.23 H new ATOM 0 HH11 ARG A 721 -6.656 9.640 13.912 1.00 74.51 H new ATOM 0 HH12 ARG A 721 -8.392 9.529 13.604 1.00 74.51 H new ATOM 0 HH21 ARG A 721 -8.010 8.743 10.186 1.00 61.12 H new ATOM 0 HH22 ARG A 721 -9.156 9.022 11.501 1.00 61.12 H new ATOM 247 N TYR A 722 -1.965 5.972 10.612 1.00 15.11 N ATOM 248 CA TYR A 722 -2.477 4.829 9.871 1.00 61.21 C ATOM 249 C TYR A 722 -1.455 3.706 9.812 1.00 33.44 C ATOM 250 O TYR A 722 -1.821 2.538 9.805 1.00 73.55 O ATOM 251 CB TYR A 722 -2.918 5.239 8.469 1.00 13.04 C ATOM 252 CG TYR A 722 -4.221 5.999 8.472 1.00 42.20 C ATOM 253 CD1 TYR A 722 -5.414 5.347 8.741 1.00 31.04 C ATOM 254 CD2 TYR A 722 -4.261 7.361 8.221 1.00 2.44 C ATOM 255 CE1 TYR A 722 -6.610 6.030 8.761 1.00 41.00 C ATOM 256 CE2 TYR A 722 -5.453 8.055 8.236 1.00 65.45 C ATOM 257 CZ TYR A 722 -6.627 7.384 8.508 1.00 13.13 C ATOM 258 OH TYR A 722 -7.822 8.068 8.538 1.00 52.53 O ATOM 0 H TYR A 722 -1.657 6.751 10.031 1.00 15.11 H new ATOM 0 HA TYR A 722 -3.351 4.454 10.404 1.00 61.21 H new ATOM 0 HB2 TYR A 722 -2.143 5.855 8.014 1.00 13.04 H new ATOM 0 HB3 TYR A 722 -3.022 4.348 7.849 1.00 13.04 H new ATOM 0 HD1 TYR A 722 -5.406 4.285 8.938 1.00 31.04 H new ATOM 0 HD2 TYR A 722 -3.343 7.889 8.010 1.00 2.44 H new ATOM 0 HE1 TYR A 722 -7.530 5.506 8.974 1.00 41.00 H new ATOM 0 HE2 TYR A 722 -5.467 9.116 8.036 1.00 65.45 H new ATOM 0 HH TYR A 722 -7.932 8.571 7.704 1.00 52.53 H new ATOM 268 N LEU A 723 -0.175 4.053 9.794 1.00 40.30 N ATOM 269 CA LEU A 723 0.879 3.046 9.886 1.00 20.32 C ATOM 270 C LEU A 723 0.758 2.298 11.207 1.00 51.43 C ATOM 271 O LEU A 723 1.048 1.104 11.300 1.00 71.14 O ATOM 272 CB LEU A 723 2.260 3.697 9.792 1.00 20.40 C ATOM 273 CG LEU A 723 2.571 4.380 8.461 1.00 2.12 C ATOM 274 CD1 LEU A 723 3.925 5.067 8.527 1.00 41.34 C ATOM 275 CD2 LEU A 723 2.542 3.365 7.329 1.00 21.51 C ATOM 0 H LEU A 723 0.159 5.014 9.717 1.00 40.30 H new ATOM 0 HA LEU A 723 0.765 2.349 9.056 1.00 20.32 H new ATOM 0 HB2 LEU A 723 2.351 4.434 10.590 1.00 20.40 H new ATOM 0 HB3 LEU A 723 3.016 2.934 9.975 1.00 20.40 H new ATOM 0 HG LEU A 723 1.809 5.135 8.267 1.00 2.12 H new ATOM 0 HD11 LEU A 723 4.135 5.550 7.573 1.00 41.34 H new ATOM 0 HD12 LEU A 723 3.915 5.817 9.318 1.00 41.34 H new ATOM 0 HD13 LEU A 723 4.698 4.328 8.738 1.00 41.34 H new ATOM 0 HD21 LEU A 723 2.765 3.865 6.386 1.00 21.51 H new ATOM 0 HD22 LEU A 723 3.287 2.591 7.515 1.00 21.51 H new ATOM 0 HD23 LEU A 723 1.553 2.910 7.273 1.00 21.51 H new ATOM 287 N ASN A 724 0.293 3.021 12.216 1.00 32.22 N ATOM 288 CA ASN A 724 0.129 2.484 13.560 1.00 0.44 C ATOM 289 C ASN A 724 -1.219 1.767 13.702 1.00 60.23 C ATOM 290 O ASN A 724 -1.422 0.977 14.625 1.00 32.24 O ATOM 291 CB ASN A 724 0.238 3.636 14.568 1.00 50.01 C ATOM 292 CG ASN A 724 0.183 3.191 16.017 1.00 24.40 C ATOM 293 OD1 ASN A 724 0.611 2.090 16.368 1.00 30.33 O ATOM 294 ND2 ASN A 724 -0.338 4.056 16.873 1.00 2.20 N ATOM 0 H ASN A 724 0.018 3.999 12.126 1.00 32.22 H new ATOM 0 HA ASN A 724 0.912 1.751 13.755 1.00 0.44 H new ATOM 0 HB2 ASN A 724 1.174 4.168 14.397 1.00 50.01 H new ATOM 0 HB3 ASN A 724 -0.570 4.344 14.385 1.00 50.01 H new ATOM 0 HD21 ASN A 724 -0.396 3.821 17.864 1.00 2.20 H new ATOM 0 HD22 ASN A 724 -0.681 4.958 16.542 1.00 2.20 H new ATOM 301 N THR A 725 -2.130 2.026 12.772 1.00 13.15 N ATOM 302 CA THR A 725 -3.472 1.458 12.842 1.00 62.44 C ATOM 303 C THR A 725 -3.775 0.579 11.624 1.00 21.41 C ATOM 304 O THR A 725 -3.649 -0.647 11.683 1.00 75.52 O ATOM 305 CB THR A 725 -4.537 2.568 12.952 1.00 72.53 C ATOM 306 OG1 THR A 725 -4.184 3.475 14.006 1.00 61.53 O ATOM 307 CG2 THR A 725 -5.916 1.982 13.226 1.00 45.12 C ATOM 0 H THR A 725 -1.965 2.624 11.962 1.00 13.15 H new ATOM 0 HA THR A 725 -3.509 0.837 13.737 1.00 62.44 H new ATOM 0 HB THR A 725 -4.572 3.100 12.001 1.00 72.53 H new ATOM 0 HG1 THR A 725 -3.504 4.102 13.684 1.00 61.53 H new ATOM 0 HG21 THR A 725 -6.646 2.788 13.298 1.00 45.12 H new ATOM 0 HG22 THR A 725 -6.195 1.312 12.413 1.00 45.12 H new ATOM 0 HG23 THR A 725 -5.895 1.426 14.163 1.00 45.12 H new ATOM 315 N ASN A 726 -4.160 1.213 10.522 1.00 14.40 N ATOM 316 CA ASN A 726 -4.512 0.499 9.300 1.00 52.15 C ATOM 317 C ASN A 726 -3.957 1.232 8.083 1.00 60.42 C ATOM 318 O ASN A 726 -4.479 2.274 7.682 1.00 64.21 O ATOM 319 CB ASN A 726 -6.032 0.367 9.175 1.00 64.01 C ATOM 320 CG ASN A 726 -6.456 -0.333 7.895 1.00 61.34 C ATOM 321 OD1 ASN A 726 -5.753 -1.208 7.385 1.00 0.03 O ATOM 322 ND2 ASN A 726 -7.598 0.061 7.355 1.00 65.12 N ATOM 0 H ASN A 726 -4.237 2.228 10.450 1.00 14.40 H new ATOM 0 HA ASN A 726 -4.075 -0.498 9.347 1.00 52.15 H new ATOM 0 HB2 ASN A 726 -6.416 -0.187 10.032 1.00 64.01 H new ATOM 0 HB3 ASN A 726 -6.483 1.359 9.208 1.00 64.01 H new ATOM 0 HD21 ASN A 726 -7.924 -0.363 6.486 1.00 65.12 H new ATOM 0 HD22 ASN A 726 -8.152 0.788 7.807 1.00 65.12 H new ATOM 329 N PRO A 727 -2.880 0.698 7.490 1.00 65.50 N ATOM 330 CA PRO A 727 -2.213 1.322 6.343 1.00 13.24 C ATOM 331 C PRO A 727 -3.123 1.429 5.123 1.00 63.31 C ATOM 332 O PRO A 727 -3.087 2.424 4.397 1.00 32.24 O ATOM 333 CB PRO A 727 -1.034 0.386 6.052 1.00 13.53 C ATOM 334 CG PRO A 727 -1.394 -0.910 6.696 1.00 33.22 C ATOM 335 CD PRO A 727 -2.220 -0.554 7.897 1.00 42.03 C ATOM 0 HA PRO A 727 -1.913 2.347 6.563 1.00 13.24 H new ATOM 0 HB2 PRO A 727 -0.884 0.264 4.979 1.00 13.53 H new ATOM 0 HB3 PRO A 727 -0.105 0.784 6.461 1.00 13.53 H new ATOM 0 HG2 PRO A 727 -1.955 -1.545 6.010 1.00 33.22 H new ATOM 0 HG3 PRO A 727 -0.501 -1.464 6.986 1.00 33.22 H new ATOM 0 HD2 PRO A 727 -2.945 -1.333 8.133 1.00 42.03 H new ATOM 0 HD3 PRO A 727 -1.602 -0.414 8.784 1.00 42.03 H new ATOM 343 N VAL A 728 -3.949 0.407 4.914 1.00 12.22 N ATOM 344 CA VAL A 728 -4.839 0.365 3.758 1.00 21.34 C ATOM 345 C VAL A 728 -5.811 1.537 3.789 1.00 23.10 C ATOM 346 O VAL A 728 -5.961 2.260 2.803 1.00 64.43 O ATOM 347 CB VAL A 728 -5.633 -0.957 3.698 1.00 14.21 C ATOM 348 CG1 VAL A 728 -6.509 -1.008 2.455 1.00 5.12 C ATOM 349 CG2 VAL A 728 -4.691 -2.151 3.737 1.00 12.53 C ATOM 0 H VAL A 728 -4.020 -0.403 5.530 1.00 12.22 H new ATOM 0 HA VAL A 728 -4.214 0.432 2.868 1.00 21.34 H new ATOM 0 HB VAL A 728 -6.282 -1.001 4.573 1.00 14.21 H new ATOM 0 HG11 VAL A 728 -7.058 -1.949 2.435 1.00 5.12 H new ATOM 0 HG12 VAL A 728 -7.214 -0.177 2.472 1.00 5.12 H new ATOM 0 HG13 VAL A 728 -5.883 -0.935 1.566 1.00 5.12 H new ATOM 0 HG21 VAL A 728 -5.270 -3.073 3.694 1.00 12.53 H new ATOM 0 HG22 VAL A 728 -4.013 -2.108 2.884 1.00 12.53 H new ATOM 0 HG23 VAL A 728 -4.113 -2.129 4.661 1.00 12.53 H new ATOM 359 N GLY A 729 -6.445 1.735 4.940 1.00 14.32 N ATOM 360 CA GLY A 729 -7.386 2.826 5.093 1.00 35.45 C ATOM 361 C GLY A 729 -6.716 4.174 4.942 1.00 53.23 C ATOM 362 O GLY A 729 -7.325 5.124 4.456 1.00 62.12 O ATOM 0 H GLY A 729 -6.322 1.157 5.771 1.00 14.32 H new ATOM 0 HA2 GLY A 729 -8.178 2.729 4.351 1.00 35.45 H new ATOM 0 HA3 GLY A 729 -7.859 2.763 6.073 1.00 35.45 H new ATOM 366 N GLY A 730 -5.450 4.245 5.340 1.00 34.20 N ATOM 367 CA GLY A 730 -4.701 5.484 5.237 1.00 3.12 C ATOM 368 C GLY A 730 -4.364 5.844 3.805 1.00 40.51 C ATOM 369 O GLY A 730 -4.431 7.011 3.421 1.00 23.12 O ATOM 0 H GLY A 730 -4.927 3.463 5.734 1.00 34.20 H new ATOM 0 HA2 GLY A 730 -5.280 6.292 5.684 1.00 3.12 H new ATOM 0 HA3 GLY A 730 -3.779 5.396 5.812 1.00 3.12 H new ATOM 373 N LEU A 731 -4.003 4.841 3.017 1.00 34.22 N ATOM 374 CA LEU A 731 -3.687 5.051 1.610 1.00 62.24 C ATOM 375 C LEU A 731 -4.947 5.488 0.867 1.00 75.03 C ATOM 376 O LEU A 731 -4.907 6.380 0.016 1.00 34.22 O ATOM 377 CB LEU A 731 -3.087 3.762 1.015 1.00 15.24 C ATOM 378 CG LEU A 731 -2.381 3.898 -0.345 1.00 2.31 C ATOM 379 CD1 LEU A 731 -3.380 3.875 -1.487 1.00 74.23 C ATOM 380 CD2 LEU A 731 -1.555 5.176 -0.397 1.00 73.42 C ATOM 0 H LEU A 731 -3.921 3.873 3.328 1.00 34.22 H new ATOM 0 HA LEU A 731 -2.944 5.841 1.504 1.00 62.24 H new ATOM 0 HB2 LEU A 731 -2.373 3.356 1.731 1.00 15.24 H new ATOM 0 HB3 LEU A 731 -3.887 3.029 0.912 1.00 15.24 H new ATOM 0 HG LEU A 731 -1.714 3.044 -0.458 1.00 2.31 H new ATOM 0 HD11 LEU A 731 -2.851 3.973 -2.435 1.00 74.23 H new ATOM 0 HD12 LEU A 731 -3.927 2.933 -1.473 1.00 74.23 H new ATOM 0 HD13 LEU A 731 -4.080 4.703 -1.375 1.00 74.23 H new ATOM 0 HD21 LEU A 731 -1.064 5.253 -1.367 1.00 73.42 H new ATOM 0 HD22 LEU A 731 -2.207 6.037 -0.251 1.00 73.42 H new ATOM 0 HD23 LEU A 731 -0.801 5.154 0.390 1.00 73.42 H new ATOM 392 N LEU A 732 -6.072 4.877 1.222 1.00 43.14 N ATOM 393 CA LEU A 732 -7.363 5.259 0.664 1.00 30.33 C ATOM 394 C LEU A 732 -7.732 6.677 1.096 1.00 61.13 C ATOM 395 O LEU A 732 -8.273 7.457 0.314 1.00 52.31 O ATOM 396 CB LEU A 732 -8.447 4.278 1.119 1.00 1.42 C ATOM 397 CG LEU A 732 -8.227 2.820 0.707 1.00 22.13 C ATOM 398 CD1 LEU A 732 -9.262 1.917 1.357 1.00 51.32 C ATOM 399 CD2 LEU A 732 -8.279 2.678 -0.806 1.00 72.34 C ATOM 0 H LEU A 732 -6.115 4.113 1.896 1.00 43.14 H new ATOM 0 HA LEU A 732 -7.291 5.230 -0.423 1.00 30.33 H new ATOM 0 HB2 LEU A 732 -8.522 4.324 2.205 1.00 1.42 H new ATOM 0 HB3 LEU A 732 -9.405 4.610 0.719 1.00 1.42 H new ATOM 0 HG LEU A 732 -7.238 2.515 1.050 1.00 22.13 H new ATOM 0 HD11 LEU A 732 -9.088 0.885 1.051 1.00 51.32 H new ATOM 0 HD12 LEU A 732 -9.181 1.993 2.441 1.00 51.32 H new ATOM 0 HD13 LEU A 732 -10.260 2.224 1.045 1.00 51.32 H new ATOM 0 HD21 LEU A 732 -8.120 1.635 -1.079 1.00 72.34 H new ATOM 0 HD22 LEU A 732 -9.254 3.004 -1.169 1.00 72.34 H new ATOM 0 HD23 LEU A 732 -7.500 3.293 -1.256 1.00 72.34 H new ATOM 411 N GLU A 733 -7.413 7.003 2.344 1.00 22.10 N ATOM 412 CA GLU A 733 -7.706 8.290 2.922 1.00 61.11 C ATOM 413 C GLU A 733 -6.900 9.392 2.237 1.00 45.22 C ATOM 414 O GLU A 733 -7.445 10.423 1.843 1.00 30.30 O ATOM 415 CB GLU A 733 -7.374 8.193 4.402 1.00 22.43 C ATOM 416 CG GLU A 733 -7.230 9.512 5.101 1.00 73.50 C ATOM 417 CD GLU A 733 -8.560 10.138 5.450 1.00 64.30 C ATOM 418 OE1 GLU A 733 -9.102 9.822 6.530 1.00 55.33 O ATOM 419 OE2 GLU A 733 -9.082 10.935 4.645 1.00 63.34 O ATOM 0 H GLU A 733 -6.938 6.366 2.983 1.00 22.10 H new ATOM 0 HA GLU A 733 -8.756 8.550 2.785 1.00 61.11 H new ATOM 0 HB2 GLU A 733 -8.155 7.618 4.899 1.00 22.43 H new ATOM 0 HB3 GLU A 733 -6.445 7.634 4.516 1.00 22.43 H new ATOM 0 HG2 GLU A 733 -6.649 9.373 6.012 1.00 73.50 H new ATOM 0 HG3 GLU A 733 -6.668 10.196 4.465 1.00 73.50 H new ATOM 426 N TYR A 734 -5.605 9.159 2.085 1.00 24.23 N ATOM 427 CA TYR A 734 -4.732 10.104 1.414 1.00 64.41 C ATOM 428 C TYR A 734 -5.234 10.396 0.003 1.00 23.30 C ATOM 429 O TYR A 734 -5.336 11.555 -0.404 1.00 43.15 O ATOM 430 CB TYR A 734 -3.301 9.559 1.369 1.00 3.30 C ATOM 431 CG TYR A 734 -2.445 10.181 0.292 1.00 40.53 C ATOM 432 CD1 TYR A 734 -1.783 11.385 0.498 1.00 0.53 C ATOM 433 CD2 TYR A 734 -2.310 9.559 -0.940 1.00 4.20 C ATOM 434 CE1 TYR A 734 -1.010 11.948 -0.497 1.00 34.11 C ATOM 435 CE2 TYR A 734 -1.540 10.115 -1.939 1.00 45.42 C ATOM 436 CZ TYR A 734 -0.889 11.310 -1.712 1.00 23.12 C ATOM 437 OH TYR A 734 -0.123 11.877 -2.704 1.00 45.41 O ATOM 0 H TYR A 734 -5.136 8.318 2.420 1.00 24.23 H new ATOM 0 HA TYR A 734 -4.736 11.038 1.977 1.00 64.41 H new ATOM 0 HB2 TYR A 734 -2.828 9.725 2.337 1.00 3.30 H new ATOM 0 HB3 TYR A 734 -3.338 8.481 1.213 1.00 3.30 H new ATOM 0 HD1 TYR A 734 -1.875 11.887 1.450 1.00 0.53 H new ATOM 0 HD2 TYR A 734 -2.817 8.623 -1.120 1.00 4.20 H new ATOM 0 HE1 TYR A 734 -0.502 12.885 -0.324 1.00 34.11 H new ATOM 0 HE2 TYR A 734 -1.447 9.618 -2.893 1.00 45.42 H new ATOM 0 HH TYR A 734 -0.139 11.303 -3.498 1.00 45.41 H new ATOM 447 N ALA A 735 -5.557 9.341 -0.732 1.00 2.24 N ATOM 448 CA ALA A 735 -5.995 9.480 -2.109 1.00 72.50 C ATOM 449 C ALA A 735 -7.338 10.194 -2.190 1.00 42.14 C ATOM 450 O ALA A 735 -7.506 11.122 -2.979 1.00 62.31 O ATOM 451 CB ALA A 735 -6.073 8.117 -2.779 1.00 30.10 C ATOM 0 H ALA A 735 -5.523 8.379 -0.395 1.00 2.24 H new ATOM 0 HA ALA A 735 -5.261 10.088 -2.638 1.00 72.50 H new ATOM 0 HB1 ALA A 735 -6.403 8.237 -3.811 1.00 30.10 H new ATOM 0 HB2 ALA A 735 -5.089 7.648 -2.765 1.00 30.10 H new ATOM 0 HB3 ALA A 735 -6.783 7.488 -2.242 1.00 30.10 H new ATOM 457 N ARG A 736 -8.278 9.780 -1.346 1.00 42.43 N ATOM 458 CA ARG A 736 -9.635 10.325 -1.374 1.00 62.42 C ATOM 459 C ARG A 736 -9.626 11.821 -1.071 1.00 30.42 C ATOM 460 O ARG A 736 -10.407 12.587 -1.635 1.00 4.13 O ATOM 461 CB ARG A 736 -10.531 9.579 -0.373 1.00 30.13 C ATOM 462 CG ARG A 736 -10.361 10.017 1.075 1.00 24.13 C ATOM 463 CD ARG A 736 -11.208 9.188 2.026 1.00 23.50 C ATOM 464 NE ARG A 736 -11.092 9.656 3.406 1.00 12.21 N ATOM 465 CZ ARG A 736 -12.012 9.453 4.348 1.00 22.12 C ATOM 466 NH1 ARG A 736 -13.117 8.774 4.072 1.00 62.33 N ATOM 467 NH2 ARG A 736 -11.808 9.911 5.575 1.00 14.22 N ATOM 0 H ARG A 736 -8.126 9.067 -0.632 1.00 42.43 H new ATOM 0 HA ARG A 736 -10.039 10.184 -2.376 1.00 62.42 H new ATOM 0 HB2 ARG A 736 -11.573 9.720 -0.662 1.00 30.13 H new ATOM 0 HB3 ARG A 736 -10.322 8.511 -0.443 1.00 30.13 H new ATOM 0 HG2 ARG A 736 -9.312 9.933 1.358 1.00 24.13 H new ATOM 0 HG3 ARG A 736 -10.634 11.068 1.170 1.00 24.13 H new ATOM 0 HD2 ARG A 736 -12.252 9.231 1.714 1.00 23.50 H new ATOM 0 HD3 ARG A 736 -10.901 8.144 1.970 1.00 23.50 H new ATOM 0 HE ARG A 736 -10.251 10.172 3.665 1.00 12.21 H new ATOM 0 HH11 ARG A 736 -13.267 8.403 3.134 1.00 62.33 H new ATOM 0 HH12 ARG A 736 -13.817 8.622 4.798 1.00 62.33 H new ATOM 0 HH21 ARG A 736 -10.950 10.416 5.795 1.00 14.22 H new ATOM 0 HH22 ARG A 736 -12.509 9.758 6.300 1.00 14.22 H new ATOM 481 N SER A 737 -8.724 12.228 -0.191 1.00 11.11 N ATOM 482 CA SER A 737 -8.625 13.619 0.225 1.00 63.42 C ATOM 483 C SER A 737 -7.844 14.450 -0.795 1.00 21.33 C ATOM 484 O SER A 737 -8.014 15.667 -0.882 1.00 31.12 O ATOM 485 CB SER A 737 -7.958 13.699 1.606 1.00 63.32 C ATOM 486 OG SER A 737 -7.918 15.031 2.091 1.00 4.31 O ATOM 0 H SER A 737 -8.045 11.609 0.252 1.00 11.11 H new ATOM 0 HA SER A 737 -9.631 14.033 0.286 1.00 63.42 H new ATOM 0 HB2 SER A 737 -8.503 13.071 2.311 1.00 63.32 H new ATOM 0 HB3 SER A 737 -6.944 13.303 1.544 1.00 63.32 H new ATOM 0 HG SER A 737 -7.489 15.046 2.972 1.00 4.31 H new ATOM 492 N HIS A 738 -6.996 13.792 -1.578 1.00 22.43 N ATOM 493 CA HIS A 738 -6.121 14.495 -2.514 1.00 44.32 C ATOM 494 C HIS A 738 -6.609 14.363 -3.953 1.00 42.41 C ATOM 495 O HIS A 738 -5.959 14.842 -4.882 1.00 0.34 O ATOM 496 CB HIS A 738 -4.684 13.979 -2.399 1.00 1.10 C ATOM 497 CG HIS A 738 -3.980 14.427 -1.151 1.00 22.42 C ATOM 498 ND1 HIS A 738 -2.630 14.692 -1.101 1.00 54.22 N ATOM 499 CD2 HIS A 738 -4.445 14.634 0.106 1.00 54.03 C ATOM 500 CE1 HIS A 738 -2.297 15.036 0.130 1.00 31.40 C ATOM 501 NE2 HIS A 738 -3.380 15.013 0.881 1.00 11.33 N ATOM 0 H HIS A 738 -6.895 12.777 -1.585 1.00 22.43 H new ATOM 0 HA HIS A 738 -6.144 15.552 -2.248 1.00 44.32 H new ATOM 0 HB2 HIS A 738 -4.695 12.889 -2.428 1.00 1.10 H new ATOM 0 HB3 HIS A 738 -4.116 14.315 -3.267 1.00 1.10 H new ATOM 0 HD2 HIS A 738 -5.467 14.521 0.436 1.00 54.03 H new ATOM 0 HE1 HIS A 738 -1.303 15.293 0.465 1.00 31.40 H new ATOM 0 HE2 HIS A 738 -3.419 15.240 1.875 1.00 11.33 H new ATOM 510 N GLY A 739 -7.744 13.707 -4.135 1.00 52.31 N ATOM 511 CA GLY A 739 -8.331 13.601 -5.457 1.00 65.34 C ATOM 512 C GLY A 739 -7.679 12.530 -6.311 1.00 74.22 C ATOM 513 O GLY A 739 -7.815 12.536 -7.535 1.00 1.23 O ATOM 0 H GLY A 739 -8.270 13.246 -3.393 1.00 52.31 H new ATOM 0 HA2 GLY A 739 -9.395 13.383 -5.360 1.00 65.34 H new ATOM 0 HA3 GLY A 739 -8.248 14.563 -5.964 1.00 65.34 H new ATOM 517 N PHE A 740 -6.959 11.617 -5.677 1.00 53.55 N ATOM 518 CA PHE A 740 -6.359 10.500 -6.390 1.00 22.30 C ATOM 519 C PHE A 740 -7.176 9.235 -6.171 1.00 24.25 C ATOM 520 O PHE A 740 -7.985 9.161 -5.246 1.00 11.44 O ATOM 521 CB PHE A 740 -4.919 10.264 -5.930 1.00 33.05 C ATOM 522 CG PHE A 740 -3.991 11.409 -6.212 1.00 62.13 C ATOM 523 CD1 PHE A 740 -3.601 11.700 -7.509 1.00 43.55 C ATOM 524 CD2 PHE A 740 -3.507 12.192 -5.178 1.00 25.42 C ATOM 525 CE1 PHE A 740 -2.745 12.753 -7.770 1.00 63.13 C ATOM 526 CE2 PHE A 740 -2.649 13.246 -5.432 1.00 43.40 C ATOM 527 CZ PHE A 740 -2.268 13.527 -6.729 1.00 20.35 C ATOM 0 H PHE A 740 -6.776 11.627 -4.674 1.00 53.55 H new ATOM 0 HA PHE A 740 -6.350 10.747 -7.452 1.00 22.30 H new ATOM 0 HB2 PHE A 740 -4.919 10.066 -4.858 1.00 33.05 H new ATOM 0 HB3 PHE A 740 -4.534 9.369 -6.420 1.00 33.05 H new ATOM 0 HD1 PHE A 740 -3.970 11.097 -8.325 1.00 43.55 H new ATOM 0 HD2 PHE A 740 -3.803 11.977 -4.162 1.00 25.42 H new ATOM 0 HE1 PHE A 740 -2.449 12.971 -8.786 1.00 63.13 H new ATOM 0 HE2 PHE A 740 -2.277 13.849 -4.617 1.00 43.40 H new ATOM 0 HZ PHE A 740 -1.598 14.350 -6.930 1.00 20.35 H new ATOM 537 N ALA A 741 -6.972 8.249 -7.028 1.00 1.34 N ATOM 538 CA ALA A 741 -7.616 6.958 -6.867 1.00 13.42 C ATOM 539 C ALA A 741 -6.609 5.938 -6.369 1.00 44.44 C ATOM 540 O ALA A 741 -5.481 5.884 -6.855 1.00 0.34 O ATOM 541 CB ALA A 741 -8.236 6.495 -8.175 1.00 14.21 C ATOM 0 H ALA A 741 -6.364 8.319 -7.844 1.00 1.34 H new ATOM 0 HA ALA A 741 -8.415 7.058 -6.132 1.00 13.42 H new ATOM 0 HB1 ALA A 741 -8.712 5.526 -8.029 1.00 14.21 H new ATOM 0 HB2 ALA A 741 -8.982 7.220 -8.501 1.00 14.21 H new ATOM 0 HB3 ALA A 741 -7.459 6.407 -8.935 1.00 14.21 H new ATOM 547 N ALA A 742 -7.014 5.147 -5.393 1.00 10.11 N ATOM 548 CA ALA A 742 -6.145 4.134 -4.825 1.00 3.30 C ATOM 549 C ALA A 742 -6.526 2.755 -5.341 1.00 71.53 C ATOM 550 O ALA A 742 -7.574 2.212 -4.985 1.00 52.11 O ATOM 551 CB ALA A 742 -6.211 4.176 -3.311 1.00 1.11 C ATOM 0 H ALA A 742 -7.944 5.187 -4.976 1.00 10.11 H new ATOM 0 HA ALA A 742 -5.120 4.341 -5.132 1.00 3.30 H new ATOM 0 HB1 ALA A 742 -5.554 3.411 -2.897 1.00 1.11 H new ATOM 0 HB2 ALA A 742 -5.891 5.157 -2.960 1.00 1.11 H new ATOM 0 HB3 ALA A 742 -7.235 3.990 -2.986 1.00 1.11 H new ATOM 557 N GLU A 743 -5.682 2.201 -6.190 1.00 71.43 N ATOM 558 CA GLU A 743 -5.944 0.900 -6.784 1.00 11.25 C ATOM 559 C GLU A 743 -4.907 -0.120 -6.347 1.00 71.21 C ATOM 560 O GLU A 743 -3.727 -0.012 -6.685 1.00 23.52 O ATOM 561 CB GLU A 743 -5.970 1.000 -8.306 1.00 54.14 C ATOM 562 CG GLU A 743 -7.165 1.761 -8.846 1.00 3.03 C ATOM 563 CD GLU A 743 -7.110 1.931 -10.350 1.00 11.11 C ATOM 564 OE1 GLU A 743 -7.480 0.984 -11.077 1.00 5.04 O ATOM 565 OE2 GLU A 743 -6.675 3.008 -10.813 1.00 1.05 O ATOM 0 H GLU A 743 -4.806 2.631 -6.486 1.00 71.43 H new ATOM 0 HA GLU A 743 -6.921 0.566 -6.436 1.00 11.25 H new ATOM 0 HB2 GLU A 743 -5.056 1.488 -8.645 1.00 54.14 H new ATOM 0 HB3 GLU A 743 -5.970 -0.005 -8.727 1.00 54.14 H new ATOM 0 HG2 GLU A 743 -8.080 1.234 -8.576 1.00 3.03 H new ATOM 0 HG3 GLU A 743 -7.211 2.742 -8.374 1.00 3.03 H new ATOM 572 N PHE A 744 -5.355 -1.099 -5.585 1.00 63.52 N ATOM 573 CA PHE A 744 -4.497 -2.197 -5.163 1.00 14.35 C ATOM 574 C PHE A 744 -4.642 -3.360 -6.133 1.00 1.11 C ATOM 575 O PHE A 744 -5.621 -4.108 -6.079 1.00 2.22 O ATOM 576 CB PHE A 744 -4.851 -2.656 -3.745 1.00 21.53 C ATOM 577 CG PHE A 744 -4.589 -1.628 -2.679 1.00 60.20 C ATOM 578 CD1 PHE A 744 -5.565 -0.709 -2.327 1.00 22.51 C ATOM 579 CD2 PHE A 744 -3.370 -1.590 -2.020 1.00 73.41 C ATOM 580 CE1 PHE A 744 -5.329 0.230 -1.339 1.00 23.42 C ATOM 581 CE2 PHE A 744 -3.130 -0.655 -1.031 1.00 34.20 C ATOM 582 CZ PHE A 744 -4.111 0.256 -0.691 1.00 1.23 C ATOM 0 H PHE A 744 -6.314 -1.159 -5.242 1.00 63.52 H new ATOM 0 HA PHE A 744 -3.465 -1.848 -5.161 1.00 14.35 H new ATOM 0 HB2 PHE A 744 -5.905 -2.931 -3.717 1.00 21.53 H new ATOM 0 HB3 PHE A 744 -4.281 -3.556 -3.514 1.00 21.53 H new ATOM 0 HD1 PHE A 744 -6.521 -0.726 -2.830 1.00 22.51 H new ATOM 0 HD2 PHE A 744 -2.599 -2.299 -2.282 1.00 73.41 H new ATOM 0 HE1 PHE A 744 -6.097 0.942 -1.075 1.00 23.42 H new ATOM 0 HE2 PHE A 744 -2.176 -0.637 -0.524 1.00 34.20 H new ATOM 0 HZ PHE A 744 -3.925 0.988 0.081 1.00 1.23 H new ATOM 592 N LYS A 745 -3.684 -3.500 -7.034 1.00 4.21 N ATOM 593 CA LYS A 745 -3.744 -4.559 -8.025 1.00 4.04 C ATOM 594 C LYS A 745 -2.624 -5.561 -7.811 1.00 12.14 C ATOM 595 O LYS A 745 -1.582 -5.237 -7.236 1.00 54.12 O ATOM 596 CB LYS A 745 -3.659 -3.996 -9.445 1.00 70.23 C ATOM 597 CG LYS A 745 -2.330 -3.336 -9.775 1.00 44.21 C ATOM 598 CD LYS A 745 -2.103 -3.287 -11.274 1.00 23.12 C ATOM 599 CE LYS A 745 -3.210 -2.527 -11.980 1.00 75.31 C ATOM 600 NZ LYS A 745 -3.152 -2.711 -13.450 1.00 65.05 N ATOM 0 H LYS A 745 -2.862 -2.899 -7.099 1.00 4.21 H new ATOM 0 HA LYS A 745 -4.704 -5.062 -7.905 1.00 4.04 H new ATOM 0 HB2 LYS A 745 -3.837 -4.803 -10.155 1.00 70.23 H new ATOM 0 HB3 LYS A 745 -4.458 -3.268 -9.583 1.00 70.23 H new ATOM 0 HG2 LYS A 745 -2.311 -2.325 -9.368 1.00 44.21 H new ATOM 0 HG3 LYS A 745 -1.519 -3.887 -9.299 1.00 44.21 H new ATOM 0 HD2 LYS A 745 -1.144 -2.812 -11.482 1.00 23.12 H new ATOM 0 HD3 LYS A 745 -2.048 -4.302 -11.668 1.00 23.12 H new ATOM 0 HE2 LYS A 745 -4.177 -2.866 -11.609 1.00 75.31 H new ATOM 0 HE3 LYS A 745 -3.131 -1.466 -11.743 1.00 75.31 H new ATOM 0 HZ1 LYS A 745 -4.101 -2.578 -13.854 1.00 65.05 H new ATOM 0 HZ2 LYS A 745 -2.500 -2.013 -13.862 1.00 65.05 H new ATOM 0 HZ3 LYS A 745 -2.814 -3.671 -13.667 1.00 65.05 H new ATOM 614 N LEU A 746 -2.839 -6.773 -8.288 1.00 1.54 N ATOM 615 CA LEU A 746 -1.832 -7.812 -8.208 1.00 33.15 C ATOM 616 C LEU A 746 -1.030 -7.819 -9.506 1.00 52.22 C ATOM 617 O LEU A 746 -1.586 -7.999 -10.589 1.00 70.15 O ATOM 618 CB LEU A 746 -2.497 -9.171 -7.966 1.00 2.04 C ATOM 619 CG LEU A 746 -1.678 -10.174 -7.145 1.00 53.21 C ATOM 620 CD1 LEU A 746 -2.494 -11.424 -6.862 1.00 62.34 C ATOM 621 CD2 LEU A 746 -0.391 -10.542 -7.859 1.00 71.41 C ATOM 0 H LEU A 746 -3.708 -7.062 -8.737 1.00 1.54 H new ATOM 0 HA LEU A 746 -1.159 -7.617 -7.373 1.00 33.15 H new ATOM 0 HB2 LEU A 746 -3.448 -9.005 -7.459 1.00 2.04 H new ATOM 0 HB3 LEU A 746 -2.725 -9.621 -8.932 1.00 2.04 H new ATOM 0 HG LEU A 746 -1.421 -9.699 -6.198 1.00 53.21 H new ATOM 0 HD11 LEU A 746 -1.896 -12.124 -6.278 1.00 62.34 H new ATOM 0 HD12 LEU A 746 -3.389 -11.155 -6.301 1.00 62.34 H new ATOM 0 HD13 LEU A 746 -2.783 -11.891 -7.804 1.00 62.34 H new ATOM 0 HD21 LEU A 746 0.170 -11.255 -7.254 1.00 71.41 H new ATOM 0 HD22 LEU A 746 -0.626 -10.991 -8.824 1.00 71.41 H new ATOM 0 HD23 LEU A 746 0.209 -9.645 -8.013 1.00 71.41 H new ATOM 633 N VAL A 747 0.269 -7.606 -9.393 1.00 11.34 N ATOM 634 CA VAL A 747 1.137 -7.511 -10.558 1.00 65.24 C ATOM 635 C VAL A 747 1.532 -8.892 -11.064 1.00 15.22 C ATOM 636 O VAL A 747 1.359 -9.203 -12.243 1.00 60.12 O ATOM 637 CB VAL A 747 2.413 -6.702 -10.242 1.00 43.04 C ATOM 638 CG1 VAL A 747 3.329 -6.627 -11.457 1.00 33.24 C ATOM 639 CG2 VAL A 747 2.051 -5.307 -9.762 1.00 5.24 C ATOM 0 H VAL A 747 0.751 -7.495 -8.501 1.00 11.34 H new ATOM 0 HA VAL A 747 0.572 -6.994 -11.334 1.00 65.24 H new ATOM 0 HB VAL A 747 2.951 -7.216 -9.446 1.00 43.04 H new ATOM 0 HG11 VAL A 747 4.220 -6.051 -11.206 1.00 33.24 H new ATOM 0 HG12 VAL A 747 3.620 -7.634 -11.756 1.00 33.24 H new ATOM 0 HG13 VAL A 747 2.803 -6.142 -12.279 1.00 33.24 H new ATOM 0 HG21 VAL A 747 2.962 -4.750 -9.543 1.00 5.24 H new ATOM 0 HG22 VAL A 747 1.487 -4.790 -10.538 1.00 5.24 H new ATOM 0 HG23 VAL A 747 1.444 -5.379 -8.859 1.00 5.24 H new ATOM 649 N ASP A 748 2.046 -9.722 -10.169 1.00 30.34 N ATOM 650 CA ASP A 748 2.552 -11.032 -10.561 1.00 51.11 C ATOM 651 C ASP A 748 2.523 -11.998 -9.383 1.00 3.04 C ATOM 652 O ASP A 748 2.616 -11.583 -8.227 1.00 44.35 O ATOM 653 CB ASP A 748 3.978 -10.901 -11.105 1.00 50.24 C ATOM 654 CG ASP A 748 4.555 -12.225 -11.557 1.00 2.34 C ATOM 655 OD1 ASP A 748 4.085 -12.765 -12.581 1.00 42.51 O ATOM 656 OD2 ASP A 748 5.484 -12.723 -10.897 1.00 14.53 O ATOM 0 H ASP A 748 2.124 -9.516 -9.173 1.00 30.34 H new ATOM 0 HA ASP A 748 1.908 -11.431 -11.344 1.00 51.11 H new ATOM 0 HB2 ASP A 748 3.980 -10.204 -11.943 1.00 50.24 H new ATOM 0 HB3 ASP A 748 4.619 -10.475 -10.333 1.00 50.24 H new ATOM 661 N GLN A 749 2.379 -13.280 -9.680 1.00 44.42 N ATOM 662 CA GLN A 749 2.302 -14.306 -8.651 1.00 73.45 C ATOM 663 C GLN A 749 3.337 -15.392 -8.929 1.00 53.14 C ATOM 664 O GLN A 749 3.049 -16.380 -9.603 1.00 3.15 O ATOM 665 CB GLN A 749 0.893 -14.911 -8.611 1.00 44.13 C ATOM 666 CG GLN A 749 -0.209 -13.868 -8.557 1.00 51.20 C ATOM 667 CD GLN A 749 -1.598 -14.450 -8.736 1.00 23.12 C ATOM 668 OE1 GLN A 749 -2.489 -13.789 -9.272 1.00 14.22 O ATOM 669 NE2 GLN A 749 -1.798 -15.679 -8.289 1.00 3.05 N ATOM 0 H GLN A 749 2.313 -13.637 -10.633 1.00 44.42 H new ATOM 0 HA GLN A 749 2.512 -13.855 -7.681 1.00 73.45 H new ATOM 0 HB2 GLN A 749 0.749 -15.536 -9.492 1.00 44.13 H new ATOM 0 HB3 GLN A 749 0.810 -15.562 -7.741 1.00 44.13 H new ATOM 0 HG2 GLN A 749 -0.161 -13.349 -7.600 1.00 51.20 H new ATOM 0 HG3 GLN A 749 -0.032 -13.123 -9.333 1.00 51.20 H new ATOM 0 HE21 GLN A 749 -1.034 -16.193 -7.851 1.00 3.05 H new ATOM 0 HE22 GLN A 749 -2.717 -16.112 -8.382 1.00 3.05 H new ATOM 678 N SER A 750 4.547 -15.191 -8.437 1.00 42.23 N ATOM 679 CA SER A 750 5.636 -16.118 -8.696 1.00 72.23 C ATOM 680 C SER A 750 6.313 -16.551 -7.401 1.00 65.41 C ATOM 681 O SER A 750 7.147 -15.833 -6.846 1.00 61.01 O ATOM 682 CB SER A 750 6.650 -15.476 -9.645 1.00 43.54 C ATOM 683 OG SER A 750 6.900 -14.128 -9.282 1.00 23.22 O ATOM 0 H SER A 750 4.801 -14.393 -7.855 1.00 42.23 H new ATOM 0 HA SER A 750 5.223 -17.010 -9.166 1.00 72.23 H new ATOM 0 HB2 SER A 750 7.582 -16.041 -9.624 1.00 43.54 H new ATOM 0 HB3 SER A 750 6.274 -15.518 -10.667 1.00 43.54 H new ATOM 0 HG SER A 750 6.196 -13.554 -9.650 1.00 23.22 H new ATOM 689 N GLY A 751 5.940 -17.723 -6.917 1.00 70.12 N ATOM 690 CA GLY A 751 6.513 -18.241 -5.696 1.00 35.32 C ATOM 691 C GLY A 751 6.193 -19.707 -5.510 1.00 33.15 C ATOM 692 O GLY A 751 5.227 -20.203 -6.092 1.00 13.52 O ATOM 0 H GLY A 751 5.245 -18.329 -7.352 1.00 70.12 H new ATOM 0 HA2 GLY A 751 7.594 -18.103 -5.714 1.00 35.32 H new ATOM 0 HA3 GLY A 751 6.133 -17.674 -4.846 1.00 35.32 H new ATOM 696 N PRO A 752 6.987 -20.428 -4.709 1.00 23.44 N ATOM 697 CA PRO A 752 6.773 -21.855 -4.453 1.00 11.32 C ATOM 698 C PRO A 752 5.411 -22.125 -3.808 1.00 15.53 C ATOM 699 O PRO A 752 4.785 -21.216 -3.270 1.00 41.53 O ATOM 700 CB PRO A 752 7.909 -22.225 -3.492 1.00 21.13 C ATOM 701 CG PRO A 752 8.370 -20.934 -2.913 1.00 74.00 C ATOM 702 CD PRO A 752 8.157 -19.908 -3.985 1.00 41.41 C ATOM 0 HA PRO A 752 6.776 -22.440 -5.372 1.00 11.32 H new ATOM 0 HB2 PRO A 752 7.560 -22.903 -2.713 1.00 21.13 H new ATOM 0 HB3 PRO A 752 8.719 -22.732 -4.017 1.00 21.13 H new ATOM 0 HG2 PRO A 752 7.805 -20.684 -2.015 1.00 74.00 H new ATOM 0 HG3 PRO A 752 9.420 -20.987 -2.625 1.00 74.00 H new ATOM 0 HD2 PRO A 752 7.967 -18.920 -3.566 1.00 41.41 H new ATOM 0 HD3 PRO A 752 9.027 -19.817 -4.635 1.00 41.41 H new ATOM 710 N PRO A 753 4.935 -23.377 -3.854 1.00 13.34 N ATOM 711 CA PRO A 753 3.623 -23.749 -3.304 1.00 23.05 C ATOM 712 C PRO A 753 3.518 -23.482 -1.804 1.00 2.02 C ATOM 713 O PRO A 753 2.446 -23.164 -1.293 1.00 72.43 O ATOM 714 CB PRO A 753 3.524 -25.253 -3.584 1.00 34.42 C ATOM 715 CG PRO A 753 4.926 -25.697 -3.816 1.00 31.24 C ATOM 716 CD PRO A 753 5.622 -24.531 -4.453 1.00 52.05 C ATOM 0 HA PRO A 753 2.821 -23.164 -3.754 1.00 23.05 H new ATOM 0 HB2 PRO A 753 3.077 -25.782 -2.742 1.00 34.42 H new ATOM 0 HB3 PRO A 753 2.898 -25.452 -4.454 1.00 34.42 H new ATOM 0 HG2 PRO A 753 5.408 -25.976 -2.879 1.00 31.24 H new ATOM 0 HG3 PRO A 753 4.957 -26.573 -4.464 1.00 31.24 H new ATOM 0 HD2 PRO A 753 6.689 -24.526 -4.232 1.00 52.05 H new ATOM 0 HD3 PRO A 753 5.522 -24.543 -5.538 1.00 52.05 H new ATOM 724 N HIS A 754 4.640 -23.609 -1.106 1.00 52.33 N ATOM 725 CA HIS A 754 4.672 -23.405 0.337 1.00 21.21 C ATOM 726 C HIS A 754 4.888 -21.933 0.685 1.00 20.52 C ATOM 727 O HIS A 754 4.614 -21.506 1.805 1.00 44.32 O ATOM 728 CB HIS A 754 5.762 -24.276 0.973 1.00 1.35 C ATOM 729 CG HIS A 754 7.121 -24.094 0.366 1.00 23.03 C ATOM 730 ND1 HIS A 754 7.493 -24.770 -0.772 1.00 25.11 N ATOM 731 CD2 HIS A 754 8.150 -23.313 0.773 1.00 31.13 C ATOM 732 CE1 HIS A 754 8.731 -24.386 -1.028 1.00 72.41 C ATOM 733 NE2 HIS A 754 9.170 -23.506 -0.120 1.00 4.44 N ATOM 0 H HIS A 754 5.541 -23.853 -1.517 1.00 52.33 H new ATOM 0 HA HIS A 754 3.705 -23.703 0.742 1.00 21.21 H new ATOM 0 HB2 HIS A 754 5.818 -24.050 2.038 1.00 1.35 H new ATOM 0 HB3 HIS A 754 5.473 -25.323 0.884 1.00 1.35 H new ATOM 0 HD2 HIS A 754 8.163 -22.663 1.636 1.00 31.13 H new ATOM 0 HE1 HIS A 754 9.316 -24.738 -1.865 1.00 72.41 H new ATOM 0 HE2 HIS A 754 10.089 -23.064 -0.098 1.00 4.44 H new ATOM 741 N GLU A 755 5.367 -21.161 -0.282 1.00 74.45 N ATOM 742 CA GLU A 755 5.592 -19.731 -0.088 1.00 22.32 C ATOM 743 C GLU A 755 5.101 -18.938 -1.295 1.00 41.22 C ATOM 744 O GLU A 755 5.905 -18.410 -2.067 1.00 10.25 O ATOM 745 CB GLU A 755 7.079 -19.436 0.152 1.00 0.22 C ATOM 746 CG GLU A 755 7.533 -19.649 1.586 1.00 14.44 C ATOM 747 CD GLU A 755 6.925 -18.643 2.542 1.00 30.24 C ATOM 748 OE1 GLU A 755 7.263 -17.442 2.443 1.00 71.52 O ATOM 749 OE2 GLU A 755 6.121 -19.045 3.409 1.00 45.43 O ATOM 0 H GLU A 755 5.609 -21.501 -1.213 1.00 74.45 H new ATOM 0 HA GLU A 755 5.027 -19.425 0.792 1.00 22.32 H new ATOM 0 HB2 GLU A 755 7.674 -20.071 -0.504 1.00 0.22 H new ATOM 0 HB3 GLU A 755 7.284 -18.404 -0.132 1.00 0.22 H new ATOM 0 HG2 GLU A 755 7.263 -20.656 1.903 1.00 14.44 H new ATOM 0 HG3 GLU A 755 8.620 -19.580 1.634 1.00 14.44 H new ATOM 756 N PRO A 756 3.775 -18.851 -1.484 1.00 1.41 N ATOM 757 CA PRO A 756 3.193 -18.125 -2.613 1.00 31.02 C ATOM 758 C PRO A 756 3.524 -16.639 -2.549 1.00 50.02 C ATOM 759 O PRO A 756 3.156 -15.946 -1.601 1.00 45.50 O ATOM 760 CB PRO A 756 1.686 -18.358 -2.464 1.00 14.13 C ATOM 761 CG PRO A 756 1.487 -18.733 -1.036 1.00 71.21 C ATOM 762 CD PRO A 756 2.741 -19.442 -0.615 1.00 25.14 C ATOM 0 HA PRO A 756 3.581 -18.469 -3.572 1.00 31.02 H new ATOM 0 HB2 PRO A 756 1.122 -17.460 -2.717 1.00 14.13 H new ATOM 0 HB3 PRO A 756 1.342 -19.149 -3.130 1.00 14.13 H new ATOM 0 HG2 PRO A 756 1.313 -17.850 -0.421 1.00 71.21 H new ATOM 0 HG3 PRO A 756 0.616 -19.378 -0.920 1.00 71.21 H new ATOM 0 HD2 PRO A 756 2.961 -19.278 0.440 1.00 25.14 H new ATOM 0 HD3 PRO A 756 2.662 -20.519 -0.760 1.00 25.14 H new ATOM 770 N LYS A 757 4.253 -16.159 -3.542 1.00 23.23 N ATOM 771 CA LYS A 757 4.693 -14.775 -3.554 1.00 22.34 C ATOM 772 C LYS A 757 3.765 -13.931 -4.411 1.00 64.10 C ATOM 773 O LYS A 757 3.671 -14.130 -5.623 1.00 42.24 O ATOM 774 CB LYS A 757 6.127 -14.678 -4.078 1.00 1.01 C ATOM 775 CG LYS A 757 6.733 -13.288 -3.962 1.00 74.21 C ATOM 776 CD LYS A 757 8.079 -13.201 -4.671 1.00 11.13 C ATOM 777 CE LYS A 757 9.078 -14.210 -4.123 1.00 43.51 C ATOM 778 NZ LYS A 757 9.454 -13.928 -2.712 1.00 4.41 N ATOM 0 H LYS A 757 4.552 -16.706 -4.349 1.00 23.23 H new ATOM 0 HA LYS A 757 4.666 -14.395 -2.533 1.00 22.34 H new ATOM 0 HB2 LYS A 757 6.752 -15.383 -3.530 1.00 1.01 H new ATOM 0 HB3 LYS A 757 6.143 -14.984 -5.124 1.00 1.01 H new ATOM 0 HG2 LYS A 757 6.048 -12.555 -4.389 1.00 74.21 H new ATOM 0 HG3 LYS A 757 6.858 -13.032 -2.910 1.00 74.21 H new ATOM 0 HD2 LYS A 757 7.938 -13.373 -5.738 1.00 11.13 H new ATOM 0 HD3 LYS A 757 8.483 -12.195 -4.561 1.00 11.13 H new ATOM 0 HE2 LYS A 757 8.652 -15.211 -4.189 1.00 43.51 H new ATOM 0 HE3 LYS A 757 9.974 -14.203 -4.743 1.00 43.51 H new ATOM 0 HZ1 LYS A 757 10.174 -14.612 -2.401 1.00 4.41 H new ATOM 0 HZ2 LYS A 757 9.838 -12.964 -2.641 1.00 4.41 H new ATOM 0 HZ3 LYS A 757 8.613 -14.011 -2.106 1.00 4.41 H new ATOM 792 N PHE A 758 3.083 -12.995 -3.777 1.00 20.24 N ATOM 793 CA PHE A 758 2.151 -12.127 -4.475 1.00 41.31 C ATOM 794 C PHE A 758 2.717 -10.721 -4.582 1.00 31.10 C ATOM 795 O PHE A 758 2.894 -10.033 -3.574 1.00 14.04 O ATOM 796 CB PHE A 758 0.802 -12.099 -3.755 1.00 2.22 C ATOM 797 CG PHE A 758 0.158 -13.450 -3.643 1.00 44.14 C ATOM 798 CD1 PHE A 758 -0.635 -13.943 -4.666 1.00 74.42 C ATOM 799 CD2 PHE A 758 0.351 -14.229 -2.517 1.00 5.10 C ATOM 800 CE1 PHE A 758 -1.226 -15.188 -4.565 1.00 65.31 C ATOM 801 CE2 PHE A 758 -0.235 -15.473 -2.410 1.00 31.20 C ATOM 802 CZ PHE A 758 -1.025 -15.954 -3.435 1.00 32.41 C ATOM 0 H PHE A 758 3.157 -12.816 -2.776 1.00 20.24 H new ATOM 0 HA PHE A 758 2.000 -12.522 -5.480 1.00 41.31 H new ATOM 0 HB2 PHE A 758 0.940 -11.687 -2.756 1.00 2.22 H new ATOM 0 HB3 PHE A 758 0.129 -11.427 -4.287 1.00 2.22 H new ATOM 0 HD1 PHE A 758 -0.793 -13.347 -5.553 1.00 74.42 H new ATOM 0 HD2 PHE A 758 0.968 -13.859 -1.712 1.00 5.10 H new ATOM 0 HE1 PHE A 758 -1.844 -15.561 -5.369 1.00 65.31 H new ATOM 0 HE2 PHE A 758 -0.076 -16.071 -1.525 1.00 31.20 H new ATOM 0 HZ PHE A 758 -1.485 -16.928 -3.353 1.00 32.41 H new ATOM 812 N VAL A 759 3.015 -10.313 -5.805 1.00 52.31 N ATOM 813 CA VAL A 759 3.551 -8.987 -6.061 1.00 2.25 C ATOM 814 C VAL A 759 2.410 -7.988 -6.204 1.00 65.25 C ATOM 815 O VAL A 759 1.650 -8.043 -7.170 1.00 63.41 O ATOM 816 CB VAL A 759 4.416 -8.960 -7.340 1.00 12.11 C ATOM 817 CG1 VAL A 759 5.105 -7.612 -7.496 1.00 61.02 C ATOM 818 CG2 VAL A 759 5.436 -10.091 -7.328 1.00 1.51 C ATOM 0 H VAL A 759 2.894 -10.886 -6.640 1.00 52.31 H new ATOM 0 HA VAL A 759 4.183 -8.716 -5.216 1.00 2.25 H new ATOM 0 HB VAL A 759 3.759 -9.107 -8.197 1.00 12.11 H new ATOM 0 HG11 VAL A 759 5.709 -7.615 -8.403 1.00 61.02 H new ATOM 0 HG12 VAL A 759 4.354 -6.825 -7.563 1.00 61.02 H new ATOM 0 HG13 VAL A 759 5.746 -7.429 -6.634 1.00 61.02 H new ATOM 0 HG21 VAL A 759 6.034 -10.052 -8.239 1.00 1.51 H new ATOM 0 HG22 VAL A 759 6.088 -9.984 -6.461 1.00 1.51 H new ATOM 0 HG23 VAL A 759 4.917 -11.048 -7.276 1.00 1.51 H new ATOM 828 N TYR A 760 2.292 -7.094 -5.239 1.00 22.13 N ATOM 829 CA TYR A 760 1.236 -6.093 -5.235 1.00 43.30 C ATOM 830 C TYR A 760 1.808 -4.706 -5.473 1.00 52.41 C ATOM 831 O TYR A 760 2.897 -4.384 -4.995 1.00 50.32 O ATOM 832 CB TYR A 760 0.482 -6.116 -3.905 1.00 22.53 C ATOM 833 CG TYR A 760 -0.847 -6.828 -3.975 1.00 33.12 C ATOM 834 CD1 TYR A 760 -0.936 -8.204 -3.818 1.00 32.22 C ATOM 835 CD2 TYR A 760 -2.015 -6.116 -4.206 1.00 55.41 C ATOM 836 CE1 TYR A 760 -2.155 -8.850 -3.891 1.00 20.00 C ATOM 837 CE2 TYR A 760 -3.236 -6.753 -4.278 1.00 71.52 C ATOM 838 CZ TYR A 760 -3.302 -8.118 -4.121 1.00 71.43 C ATOM 839 OH TYR A 760 -4.517 -8.753 -4.203 1.00 33.12 O ATOM 0 H TYR A 760 2.922 -7.040 -4.438 1.00 22.13 H new ATOM 0 HA TYR A 760 0.544 -6.332 -6.042 1.00 43.30 H new ATOM 0 HB2 TYR A 760 1.105 -6.600 -3.153 1.00 22.53 H new ATOM 0 HB3 TYR A 760 0.318 -5.091 -3.572 1.00 22.53 H new ATOM 0 HD1 TYR A 760 -0.039 -8.778 -3.636 1.00 32.22 H new ATOM 0 HD2 TYR A 760 -1.967 -5.044 -4.332 1.00 55.41 H new ATOM 0 HE1 TYR A 760 -2.210 -9.922 -3.769 1.00 20.00 H new ATOM 0 HE2 TYR A 760 -4.136 -6.183 -4.457 1.00 71.52 H new ATOM 0 HH TYR A 760 -5.221 -8.092 -4.367 1.00 33.12 H new ATOM 849 N GLN A 761 1.070 -3.889 -6.208 1.00 64.34 N ATOM 850 CA GLN A 761 1.487 -2.526 -6.481 1.00 23.23 C ATOM 851 C GLN A 761 0.307 -1.583 -6.306 1.00 0.22 C ATOM 852 O GLN A 761 -0.805 -1.871 -6.760 1.00 34.23 O ATOM 853 CB GLN A 761 2.052 -2.414 -7.897 1.00 34.01 C ATOM 854 CG GLN A 761 2.764 -1.102 -8.180 1.00 31.53 C ATOM 855 CD GLN A 761 3.410 -1.081 -9.550 1.00 34.32 C ATOM 856 OE1 GLN A 761 2.923 -1.711 -10.489 1.00 72.41 O ATOM 857 NE2 GLN A 761 4.520 -0.369 -9.672 1.00 4.32 N ATOM 0 H GLN A 761 0.177 -4.149 -6.627 1.00 64.34 H new ATOM 0 HA GLN A 761 2.271 -2.248 -5.777 1.00 23.23 H new ATOM 0 HB2 GLN A 761 2.748 -3.236 -8.065 1.00 34.01 H new ATOM 0 HB3 GLN A 761 1.238 -2.535 -8.612 1.00 34.01 H new ATOM 0 HG2 GLN A 761 2.051 -0.281 -8.105 1.00 31.53 H new ATOM 0 HG3 GLN A 761 3.526 -0.933 -7.419 1.00 31.53 H new ATOM 0 HE21 GLN A 761 4.891 0.139 -8.869 1.00 4.32 H new ATOM 0 HE22 GLN A 761 5.004 -0.329 -10.569 1.00 4.32 H new ATOM 866 N ALA A 762 0.547 -0.469 -5.636 1.00 53.23 N ATOM 867 CA ALA A 762 -0.503 0.500 -5.383 1.00 0.32 C ATOM 868 C ALA A 762 -0.514 1.572 -6.463 1.00 1.22 C ATOM 869 O ALA A 762 0.424 2.357 -6.594 1.00 3.33 O ATOM 870 CB ALA A 762 -0.335 1.122 -4.006 1.00 74.13 C ATOM 0 H ALA A 762 1.459 -0.214 -5.258 1.00 53.23 H new ATOM 0 HA ALA A 762 -1.462 -0.017 -5.408 1.00 0.32 H new ATOM 0 HB1 ALA A 762 -1.131 1.846 -3.834 1.00 74.13 H new ATOM 0 HB2 ALA A 762 -0.383 0.342 -3.246 1.00 74.13 H new ATOM 0 HB3 ALA A 762 0.631 1.624 -3.949 1.00 74.13 H new ATOM 876 N LYS A 763 -1.570 1.582 -7.252 1.00 50.42 N ATOM 877 CA LYS A 763 -1.735 2.583 -8.286 1.00 44.42 C ATOM 878 C LYS A 763 -2.519 3.766 -7.737 1.00 65.11 C ATOM 879 O LYS A 763 -3.740 3.702 -7.586 1.00 1.30 O ATOM 880 CB LYS A 763 -2.448 1.980 -9.495 1.00 60.11 C ATOM 881 CG LYS A 763 -2.765 2.985 -10.589 1.00 20.14 C ATOM 882 CD LYS A 763 -3.557 2.338 -11.710 1.00 15.50 C ATOM 883 CE LYS A 763 -3.945 3.343 -12.779 1.00 51.44 C ATOM 884 NZ LYS A 763 -4.878 4.375 -12.257 1.00 44.11 N ATOM 0 H LYS A 763 -2.330 0.904 -7.196 1.00 50.42 H new ATOM 0 HA LYS A 763 -0.753 2.932 -8.606 1.00 44.42 H new ATOM 0 HB2 LYS A 763 -1.827 1.188 -9.912 1.00 60.11 H new ATOM 0 HB3 LYS A 763 -3.376 1.515 -9.162 1.00 60.11 H new ATOM 0 HG2 LYS A 763 -3.333 3.816 -10.171 1.00 20.14 H new ATOM 0 HG3 LYS A 763 -1.839 3.400 -10.986 1.00 20.14 H new ATOM 0 HD2 LYS A 763 -2.966 1.540 -12.159 1.00 15.50 H new ATOM 0 HD3 LYS A 763 -4.456 1.877 -11.301 1.00 15.50 H new ATOM 0 HE2 LYS A 763 -3.048 3.827 -13.165 1.00 51.44 H new ATOM 0 HE3 LYS A 763 -4.411 2.822 -13.615 1.00 51.44 H new ATOM 0 HZ1 LYS A 763 -5.604 4.581 -12.973 1.00 44.11 H new ATOM 0 HZ2 LYS A 763 -5.335 4.024 -11.392 1.00 44.11 H new ATOM 0 HZ3 LYS A 763 -4.349 5.244 -12.041 1.00 44.11 H new ATOM 898 N VAL A 764 -1.809 4.832 -7.414 1.00 60.02 N ATOM 899 CA VAL A 764 -2.432 6.024 -6.866 1.00 44.33 C ATOM 900 C VAL A 764 -2.435 7.134 -7.906 1.00 32.42 C ATOM 901 O VAL A 764 -1.417 7.788 -8.144 1.00 20.04 O ATOM 902 CB VAL A 764 -1.720 6.501 -5.583 1.00 30.24 C ATOM 903 CG1 VAL A 764 -2.411 7.724 -5.001 1.00 70.02 C ATOM 904 CG2 VAL A 764 -1.672 5.377 -4.559 1.00 33.44 C ATOM 0 H VAL A 764 -0.797 4.897 -7.522 1.00 60.02 H new ATOM 0 HA VAL A 764 -3.459 5.772 -6.601 1.00 44.33 H new ATOM 0 HB VAL A 764 -0.699 6.782 -5.842 1.00 30.24 H new ATOM 0 HG11 VAL A 764 -1.890 8.041 -4.097 1.00 70.02 H new ATOM 0 HG12 VAL A 764 -2.395 8.533 -5.731 1.00 70.02 H new ATOM 0 HG13 VAL A 764 -3.444 7.476 -4.756 1.00 70.02 H new ATOM 0 HG21 VAL A 764 -1.167 5.727 -3.658 1.00 33.44 H new ATOM 0 HG22 VAL A 764 -2.687 5.069 -4.309 1.00 33.44 H new ATOM 0 HG23 VAL A 764 -1.127 4.529 -4.975 1.00 33.44 H new ATOM 914 N GLY A 765 -3.582 7.321 -8.539 1.00 64.22 N ATOM 915 CA GLY A 765 -3.693 8.302 -9.593 1.00 43.43 C ATOM 916 C GLY A 765 -2.966 7.858 -10.841 1.00 24.22 C ATOM 917 O GLY A 765 -3.330 6.851 -11.456 1.00 11.14 O ATOM 0 H GLY A 765 -4.441 6.808 -8.339 1.00 64.22 H new ATOM 0 HA2 GLY A 765 -4.745 8.472 -9.824 1.00 43.43 H new ATOM 0 HA3 GLY A 765 -3.284 9.253 -9.251 1.00 43.43 H new ATOM 921 N GLY A 766 -1.928 8.593 -11.205 1.00 32.34 N ATOM 922 CA GLY A 766 -1.131 8.231 -12.355 1.00 72.04 C ATOM 923 C GLY A 766 0.212 7.660 -11.957 1.00 24.33 C ATOM 924 O GLY A 766 1.080 7.441 -12.803 1.00 54.32 O ATOM 0 H GLY A 766 -1.623 9.438 -10.722 1.00 32.34 H new ATOM 0 HA2 GLY A 766 -1.672 7.500 -12.955 1.00 72.04 H new ATOM 0 HA3 GLY A 766 -0.980 9.109 -12.982 1.00 72.04 H new ATOM 928 N ARG A 767 0.389 7.423 -10.664 1.00 71.12 N ATOM 929 CA ARG A 767 1.632 6.866 -10.152 1.00 71.33 C ATOM 930 C ARG A 767 1.437 5.423 -9.714 1.00 41.10 C ATOM 931 O ARG A 767 0.364 5.043 -9.244 1.00 34.52 O ATOM 932 CB ARG A 767 2.153 7.685 -8.972 1.00 74.01 C ATOM 933 CG ARG A 767 2.549 9.106 -9.324 1.00 73.20 C ATOM 934 CD ARG A 767 3.168 9.805 -8.127 1.00 72.42 C ATOM 935 NE ARG A 767 3.548 11.185 -8.422 1.00 10.14 N ATOM 936 CZ ARG A 767 4.738 11.702 -8.120 1.00 72.22 C ATOM 937 NH1 ARG A 767 5.670 10.942 -7.555 1.00 11.44 N ATOM 938 NH2 ARG A 767 5.000 12.976 -8.388 1.00 4.25 N ATOM 0 H ARG A 767 -0.315 7.609 -9.950 1.00 71.12 H new ATOM 0 HA ARG A 767 2.363 6.900 -10.960 1.00 71.33 H new ATOM 0 HB2 ARG A 767 1.385 7.715 -8.199 1.00 74.01 H new ATOM 0 HB3 ARG A 767 3.016 7.175 -8.544 1.00 74.01 H new ATOM 0 HG2 ARG A 767 3.258 9.096 -10.152 1.00 73.20 H new ATOM 0 HG3 ARG A 767 1.673 9.660 -9.661 1.00 73.20 H new ATOM 0 HD2 ARG A 767 2.460 9.795 -7.298 1.00 72.42 H new ATOM 0 HD3 ARG A 767 4.048 9.251 -7.801 1.00 72.42 H new ATOM 0 HE ARG A 767 2.865 11.785 -8.884 1.00 10.14 H new ATOM 0 HH11 ARG A 767 5.475 9.962 -7.352 1.00 11.44 H new ATOM 0 HH12 ARG A 767 6.581 11.339 -7.324 1.00 11.44 H new ATOM 0 HH21 ARG A 767 4.289 13.562 -8.826 1.00 4.25 H new ATOM 0 HH22 ARG A 767 5.912 13.369 -8.156 1.00 4.25 H new ATOM 952 N TRP A 768 2.480 4.628 -9.875 1.00 44.51 N ATOM 953 CA TRP A 768 2.457 3.231 -9.476 1.00 54.51 C ATOM 954 C TRP A 768 3.512 2.997 -8.403 1.00 34.30 C ATOM 955 O TRP A 768 4.697 2.880 -8.715 1.00 74.25 O ATOM 956 CB TRP A 768 2.744 2.330 -10.681 1.00 41.10 C ATOM 957 CG TRP A 768 1.807 2.524 -11.836 1.00 60.43 C ATOM 958 CD1 TRP A 768 1.814 3.545 -12.744 1.00 2.01 C ATOM 959 CD2 TRP A 768 0.737 1.657 -12.220 1.00 75.20 C ATOM 960 NE1 TRP A 768 0.806 3.372 -13.660 1.00 14.43 N ATOM 961 CE2 TRP A 768 0.133 2.216 -13.361 1.00 2.32 C ATOM 962 CE3 TRP A 768 0.230 0.466 -11.705 1.00 14.33 C ATOM 963 CZ2 TRP A 768 -0.951 1.619 -13.997 1.00 10.41 C ATOM 964 CZ3 TRP A 768 -0.845 -0.125 -12.336 1.00 43.51 C ATOM 965 CH2 TRP A 768 -1.425 0.450 -13.471 1.00 14.32 C ATOM 0 H TRP A 768 3.364 4.931 -10.284 1.00 44.51 H new ATOM 0 HA TRP A 768 1.470 2.989 -9.083 1.00 54.51 H new ATOM 0 HB2 TRP A 768 3.763 2.512 -11.021 1.00 41.10 H new ATOM 0 HB3 TRP A 768 2.696 1.289 -10.361 1.00 41.10 H new ATOM 0 HD1 TRP A 768 2.512 4.369 -12.742 1.00 2.01 H new ATOM 0 HE1 TRP A 768 0.593 4.000 -14.435 1.00 14.43 H new ATOM 0 HE3 TRP A 768 0.670 0.014 -10.828 1.00 14.33 H new ATOM 0 HZ2 TRP A 768 -1.401 2.063 -14.873 1.00 10.41 H new ATOM 0 HZ3 TRP A 768 -1.246 -1.049 -11.946 1.00 43.51 H new ATOM 0 HH2 TRP A 768 -2.265 -0.040 -13.942 1.00 14.32 H new ATOM 976 N PHE A 769 3.092 2.939 -7.145 1.00 74.53 N ATOM 977 CA PHE A 769 4.032 2.803 -6.038 1.00 41.41 C ATOM 978 C PHE A 769 3.305 2.453 -4.745 1.00 55.04 C ATOM 979 O PHE A 769 2.233 2.985 -4.462 1.00 42.42 O ATOM 980 CB PHE A 769 4.844 4.097 -5.850 1.00 42.42 C ATOM 981 CG PHE A 769 4.066 5.246 -5.261 1.00 44.53 C ATOM 982 CD1 PHE A 769 3.164 5.964 -6.030 1.00 22.20 C ATOM 983 CD2 PHE A 769 4.238 5.602 -3.933 1.00 55.31 C ATOM 984 CE1 PHE A 769 2.450 7.015 -5.485 1.00 41.43 C ATOM 985 CE2 PHE A 769 3.527 6.651 -3.383 1.00 14.24 C ATOM 986 CZ PHE A 769 2.632 7.359 -4.160 1.00 73.41 C ATOM 0 H PHE A 769 2.112 2.984 -6.866 1.00 74.53 H new ATOM 0 HA PHE A 769 4.717 1.991 -6.282 1.00 41.41 H new ATOM 0 HB2 PHE A 769 5.697 3.885 -5.206 1.00 42.42 H new ATOM 0 HB3 PHE A 769 5.243 4.403 -6.817 1.00 42.42 H new ATOM 0 HD1 PHE A 769 3.017 5.700 -7.067 1.00 22.20 H new ATOM 0 HD2 PHE A 769 4.937 5.052 -3.320 1.00 55.31 H new ATOM 0 HE1 PHE A 769 1.750 7.567 -6.095 1.00 41.43 H new ATOM 0 HE2 PHE A 769 3.671 6.917 -2.346 1.00 14.24 H new ATOM 0 HZ PHE A 769 2.075 8.180 -3.733 1.00 73.41 H new ATOM 996 N PRO A 770 3.876 1.548 -3.944 1.00 5.24 N ATOM 997 CA PRO A 770 5.093 0.828 -4.279 1.00 53.31 C ATOM 998 C PRO A 770 4.793 -0.556 -4.847 1.00 64.24 C ATOM 999 O PRO A 770 3.638 -0.886 -5.115 1.00 61.44 O ATOM 1000 CB PRO A 770 5.763 0.711 -2.915 1.00 42.23 C ATOM 1001 CG PRO A 770 4.627 0.581 -1.946 1.00 15.32 C ATOM 1002 CD PRO A 770 3.398 1.166 -2.611 1.00 0.11 C ATOM 0 HA PRO A 770 5.695 1.322 -5.042 1.00 53.31 H new ATOM 0 HB2 PRO A 770 6.423 -0.155 -2.871 1.00 42.23 H new ATOM 0 HB3 PRO A 770 6.372 1.588 -2.696 1.00 42.23 H new ATOM 0 HG2 PRO A 770 4.462 -0.464 -1.685 1.00 15.32 H new ATOM 0 HG3 PRO A 770 4.850 1.109 -1.019 1.00 15.32 H new ATOM 0 HD2 PRO A 770 2.589 0.438 -2.669 1.00 0.11 H new ATOM 0 HD3 PRO A 770 3.015 2.026 -2.061 1.00 0.11 H new ATOM 1010 N ALA A 771 5.829 -1.359 -5.021 1.00 42.02 N ATOM 1011 CA ALA A 771 5.668 -2.731 -5.470 1.00 74.51 C ATOM 1012 C ALA A 771 6.278 -3.678 -4.448 1.00 1.24 C ATOM 1013 O ALA A 771 7.490 -3.687 -4.242 1.00 52.31 O ATOM 1014 CB ALA A 771 6.308 -2.928 -6.835 1.00 70.25 C ATOM 0 H ALA A 771 6.797 -1.082 -4.857 1.00 42.02 H new ATOM 0 HA ALA A 771 4.605 -2.950 -5.565 1.00 74.51 H new ATOM 0 HB1 ALA A 771 6.176 -3.962 -7.153 1.00 70.25 H new ATOM 0 HB2 ALA A 771 5.835 -2.263 -7.558 1.00 70.25 H new ATOM 0 HB3 ALA A 771 7.372 -2.700 -6.774 1.00 70.25 H new ATOM 1020 N VAL A 772 5.432 -4.453 -3.791 1.00 21.42 N ATOM 1021 CA VAL A 772 5.882 -5.353 -2.739 1.00 21.21 C ATOM 1022 C VAL A 772 5.495 -6.790 -3.054 1.00 21.43 C ATOM 1023 O VAL A 772 4.586 -7.037 -3.842 1.00 60.34 O ATOM 1024 CB VAL A 772 5.291 -4.962 -1.365 1.00 3.44 C ATOM 1025 CG1 VAL A 772 5.760 -3.576 -0.951 1.00 3.11 C ATOM 1026 CG2 VAL A 772 3.770 -5.032 -1.395 1.00 32.13 C ATOM 0 H VAL A 772 4.428 -4.478 -3.967 1.00 21.42 H new ATOM 0 HA VAL A 772 6.968 -5.269 -2.692 1.00 21.21 H new ATOM 0 HB VAL A 772 5.650 -5.676 -0.624 1.00 3.44 H new ATOM 0 HG11 VAL A 772 5.332 -3.322 0.019 1.00 3.11 H new ATOM 0 HG12 VAL A 772 6.848 -3.566 -0.881 1.00 3.11 H new ATOM 0 HG13 VAL A 772 5.437 -2.846 -1.693 1.00 3.11 H new ATOM 0 HG21 VAL A 772 3.374 -4.753 -0.419 1.00 32.13 H new ATOM 0 HG22 VAL A 772 3.389 -4.345 -2.151 1.00 32.13 H new ATOM 0 HG23 VAL A 772 3.457 -6.048 -1.637 1.00 32.13 H new ATOM 1036 N CYS A 773 6.183 -7.733 -2.434 1.00 35.13 N ATOM 1037 CA CYS A 773 5.880 -9.140 -2.617 1.00 61.43 C ATOM 1038 C CYS A 773 5.615 -9.795 -1.266 1.00 5.25 C ATOM 1039 O CYS A 773 6.530 -9.993 -0.467 1.00 33.54 O ATOM 1040 CB CYS A 773 7.026 -9.836 -3.353 1.00 12.35 C ATOM 1041 SG CYS A 773 8.659 -9.531 -2.643 1.00 71.53 S ATOM 0 H CYS A 773 6.958 -7.548 -1.797 1.00 35.13 H new ATOM 0 HA CYS A 773 4.981 -9.238 -3.226 1.00 61.43 H new ATOM 0 HB2 CYS A 773 6.840 -10.910 -3.358 1.00 12.35 H new ATOM 0 HB3 CYS A 773 7.027 -9.508 -4.392 1.00 12.35 H new ATOM 0 HG CYS A 773 8.578 -9.550 -1.346 1.00 71.53 H new ATOM 1047 N ALA A 774 4.356 -10.111 -1.010 1.00 71.03 N ATOM 1048 CA ALA A 774 3.956 -10.667 0.272 1.00 71.21 C ATOM 1049 C ALA A 774 3.721 -12.169 0.172 1.00 35.41 C ATOM 1050 O ALA A 774 3.865 -12.759 -0.901 1.00 11.13 O ATOM 1051 CB ALA A 774 2.707 -9.968 0.776 1.00 71.11 C ATOM 0 H ALA A 774 3.592 -9.992 -1.675 1.00 71.03 H new ATOM 0 HA ALA A 774 4.766 -10.502 0.982 1.00 71.21 H new ATOM 0 HB1 ALA A 774 2.416 -10.392 1.737 1.00 71.11 H new ATOM 0 HB2 ALA A 774 2.909 -8.903 0.895 1.00 71.11 H new ATOM 0 HB3 ALA A 774 1.898 -10.106 0.058 1.00 71.11 H new ATOM 1057 N HIS A 775 3.343 -12.780 1.290 1.00 1.31 N ATOM 1058 CA HIS A 775 3.143 -14.226 1.341 1.00 71.11 C ATOM 1059 C HIS A 775 1.686 -14.568 1.073 1.00 40.11 C ATOM 1060 O HIS A 775 1.323 -15.739 0.985 1.00 5.43 O ATOM 1061 CB HIS A 775 3.544 -14.798 2.709 1.00 5.10 C ATOM 1062 CG HIS A 775 4.884 -14.350 3.205 1.00 24.53 C ATOM 1063 ND1 HIS A 775 6.005 -15.152 3.201 1.00 35.33 N ATOM 1064 CD2 HIS A 775 5.269 -13.175 3.756 1.00 71.20 C ATOM 1065 CE1 HIS A 775 7.015 -14.490 3.731 1.00 63.23 C ATOM 1066 NE2 HIS A 775 6.595 -13.288 4.073 1.00 4.42 N ATOM 0 H HIS A 775 3.169 -12.298 2.172 1.00 1.31 H new ATOM 0 HA HIS A 775 3.776 -14.670 0.573 1.00 71.11 H new ATOM 0 HB2 HIS A 775 2.788 -14.516 3.441 1.00 5.10 H new ATOM 0 HB3 HIS A 775 3.539 -15.886 2.648 1.00 5.10 H new ATOM 0 HD1 HIS A 775 6.047 -16.107 2.844 1.00 35.33 H new ATOM 0 HD2 HIS A 775 4.645 -12.308 3.916 1.00 71.20 H new ATOM 0 HE1 HIS A 775 8.018 -14.869 3.863 1.00 63.23 H new ATOM 1075 N SER A 776 0.852 -13.542 0.957 1.00 54.21 N ATOM 1076 CA SER A 776 -0.574 -13.741 0.758 1.00 71.44 C ATOM 1077 C SER A 776 -1.219 -12.473 0.198 1.00 21.41 C ATOM 1078 O SER A 776 -0.587 -11.412 0.150 1.00 2.02 O ATOM 1079 CB SER A 776 -1.229 -14.151 2.080 1.00 73.21 C ATOM 1080 OG SER A 776 -2.577 -14.549 1.890 1.00 54.40 O ATOM 0 H SER A 776 1.141 -12.565 0.998 1.00 54.21 H new ATOM 0 HA SER A 776 -0.724 -14.540 0.032 1.00 71.44 H new ATOM 0 HB2 SER A 776 -0.666 -14.970 2.528 1.00 73.21 H new ATOM 0 HB3 SER A 776 -1.190 -13.317 2.781 1.00 73.21 H new ATOM 0 HG SER A 776 -2.967 -14.806 2.752 1.00 54.40 H new ATOM 1086 N LYS A 777 -2.478 -12.590 -0.211 1.00 51.34 N ATOM 1087 CA LYS A 777 -3.193 -11.507 -0.879 1.00 75.41 C ATOM 1088 C LYS A 777 -3.493 -10.356 0.085 1.00 43.42 C ATOM 1089 O LYS A 777 -3.208 -9.195 -0.217 1.00 22.12 O ATOM 1090 CB LYS A 777 -4.484 -12.061 -1.501 1.00 13.42 C ATOM 1091 CG LYS A 777 -5.302 -11.041 -2.280 1.00 4.31 C ATOM 1092 CD LYS A 777 -6.333 -10.346 -1.403 1.00 11.04 C ATOM 1093 CE LYS A 777 -7.071 -9.258 -2.166 1.00 73.51 C ATOM 1094 NZ LYS A 777 -7.770 -9.785 -3.368 1.00 41.24 N ATOM 0 H LYS A 777 -3.032 -13.438 -0.089 1.00 51.34 H new ATOM 0 HA LYS A 777 -2.561 -11.101 -1.669 1.00 75.41 H new ATOM 0 HB2 LYS A 777 -4.226 -12.885 -2.167 1.00 13.42 H new ATOM 0 HB3 LYS A 777 -5.105 -12.475 -0.707 1.00 13.42 H new ATOM 0 HG2 LYS A 777 -4.635 -10.296 -2.714 1.00 4.31 H new ATOM 0 HG3 LYS A 777 -5.807 -11.538 -3.108 1.00 4.31 H new ATOM 0 HD2 LYS A 777 -7.048 -11.079 -1.030 1.00 11.04 H new ATOM 0 HD3 LYS A 777 -5.839 -9.911 -0.534 1.00 11.04 H new ATOM 0 HE2 LYS A 777 -7.797 -8.783 -1.506 1.00 73.51 H new ATOM 0 HE3 LYS A 777 -6.363 -8.486 -2.469 1.00 73.51 H new ATOM 0 HZ1 LYS A 777 -8.393 -9.049 -3.758 1.00 41.24 H new ATOM 0 HZ2 LYS A 777 -7.068 -10.061 -4.085 1.00 41.24 H new ATOM 0 HZ3 LYS A 777 -8.338 -10.615 -3.103 1.00 41.24 H new ATOM 1108 N LYS A 778 -4.063 -10.684 1.241 1.00 42.23 N ATOM 1109 CA LYS A 778 -4.405 -9.678 2.248 1.00 33.54 C ATOM 1110 C LYS A 778 -3.150 -8.942 2.709 1.00 63.14 C ATOM 1111 O LYS A 778 -3.160 -7.723 2.889 1.00 3.13 O ATOM 1112 CB LYS A 778 -5.113 -10.341 3.436 1.00 1.22 C ATOM 1113 CG LYS A 778 -5.488 -9.384 4.559 1.00 24.14 C ATOM 1114 CD LYS A 778 -6.253 -10.102 5.662 1.00 35.10 C ATOM 1115 CE LYS A 778 -6.608 -9.166 6.808 1.00 0.24 C ATOM 1116 NZ LYS A 778 -5.408 -8.733 7.574 1.00 62.42 N ATOM 0 H LYS A 778 -4.299 -11.640 1.506 1.00 42.23 H new ATOM 0 HA LYS A 778 -5.084 -8.950 1.804 1.00 33.54 H new ATOM 0 HB2 LYS A 778 -6.017 -10.832 3.076 1.00 1.22 H new ATOM 0 HB3 LYS A 778 -4.466 -11.120 3.840 1.00 1.22 H new ATOM 0 HG2 LYS A 778 -4.586 -8.933 4.973 1.00 24.14 H new ATOM 0 HG3 LYS A 778 -6.096 -8.572 4.160 1.00 24.14 H new ATOM 0 HD2 LYS A 778 -7.165 -10.533 5.250 1.00 35.10 H new ATOM 0 HD3 LYS A 778 -5.653 -10.929 6.041 1.00 35.10 H new ATOM 0 HE2 LYS A 778 -7.120 -8.289 6.413 1.00 0.24 H new ATOM 0 HE3 LYS A 778 -7.305 -9.666 7.480 1.00 0.24 H new ATOM 0 HZ1 LYS A 778 -5.702 -8.124 8.365 1.00 62.42 H new ATOM 0 HZ2 LYS A 778 -4.913 -9.569 7.946 1.00 62.42 H new ATOM 0 HZ3 LYS A 778 -4.769 -8.203 6.948 1.00 62.42 H new ATOM 1130 N GLN A 779 -2.071 -9.697 2.884 1.00 62.45 N ATOM 1131 CA GLN A 779 -0.775 -9.125 3.225 1.00 54.24 C ATOM 1132 C GLN A 779 -0.323 -8.120 2.169 1.00 40.11 C ATOM 1133 O GLN A 779 0.067 -7.005 2.500 1.00 71.12 O ATOM 1134 CB GLN A 779 0.276 -10.225 3.357 1.00 71.44 C ATOM 1135 CG GLN A 779 0.092 -11.118 4.568 1.00 5.41 C ATOM 1136 CD GLN A 779 1.035 -12.303 4.556 1.00 73.22 C ATOM 1137 OE1 GLN A 779 2.129 -12.239 3.992 1.00 30.23 O ATOM 1138 NE2 GLN A 779 0.616 -13.398 5.172 1.00 1.03 N ATOM 0 H GLN A 779 -2.070 -10.713 2.794 1.00 62.45 H new ATOM 0 HA GLN A 779 -0.883 -8.609 4.179 1.00 54.24 H new ATOM 0 HB2 GLN A 779 0.255 -10.842 2.458 1.00 71.44 H new ATOM 0 HB3 GLN A 779 1.263 -9.765 3.405 1.00 71.44 H new ATOM 0 HG2 GLN A 779 0.255 -10.535 5.475 1.00 5.41 H new ATOM 0 HG3 GLN A 779 -0.937 -11.476 4.600 1.00 5.41 H new ATOM 0 HE21 GLN A 779 -0.297 -13.410 5.627 1.00 1.03 H new ATOM 0 HE22 GLN A 779 1.206 -14.230 5.191 1.00 1.03 H new ATOM 1147 N GLY A 780 -0.392 -8.528 0.901 1.00 52.21 N ATOM 1148 CA GLY A 780 0.088 -7.699 -0.196 1.00 14.41 C ATOM 1149 C GLY A 780 -0.499 -6.301 -0.186 1.00 73.14 C ATOM 1150 O GLY A 780 0.219 -5.318 -0.378 1.00 42.12 O ATOM 0 H GLY A 780 -0.776 -9.428 0.612 1.00 52.21 H new ATOM 0 HA2 GLY A 780 1.175 -7.631 -0.143 1.00 14.41 H new ATOM 0 HA3 GLY A 780 -0.156 -8.182 -1.142 1.00 14.41 H new ATOM 1154 N LYS A 781 -1.803 -6.217 0.048 1.00 5.54 N ATOM 1155 CA LYS A 781 -2.493 -4.935 0.125 1.00 20.25 C ATOM 1156 C LYS A 781 -1.901 -4.068 1.230 1.00 43.12 C ATOM 1157 O LYS A 781 -1.596 -2.892 1.026 1.00 44.10 O ATOM 1158 CB LYS A 781 -3.981 -5.157 0.404 1.00 4.21 C ATOM 1159 CG LYS A 781 -4.704 -5.928 -0.687 1.00 42.55 C ATOM 1160 CD LYS A 781 -6.133 -6.250 -0.285 1.00 1.33 C ATOM 1161 CE LYS A 781 -6.922 -4.993 0.050 1.00 4.52 C ATOM 1162 NZ LYS A 781 -8.306 -5.308 0.485 1.00 1.45 N ATOM 0 H LYS A 781 -2.407 -7.027 0.189 1.00 5.54 H new ATOM 0 HA LYS A 781 -2.369 -4.426 -0.831 1.00 20.25 H new ATOM 0 HB2 LYS A 781 -4.088 -5.694 1.346 1.00 4.21 H new ATOM 0 HB3 LYS A 781 -4.465 -4.189 0.533 1.00 4.21 H new ATOM 0 HG2 LYS A 781 -4.706 -5.344 -1.607 1.00 42.55 H new ATOM 0 HG3 LYS A 781 -4.167 -6.853 -0.898 1.00 42.55 H new ATOM 0 HD2 LYS A 781 -6.627 -6.784 -1.096 1.00 1.33 H new ATOM 0 HD3 LYS A 781 -6.127 -6.916 0.578 1.00 1.33 H new ATOM 0 HE2 LYS A 781 -6.410 -4.442 0.839 1.00 4.52 H new ATOM 0 HE3 LYS A 781 -6.955 -4.342 -0.823 1.00 4.52 H new ATOM 0 HZ1 LYS A 781 -8.810 -4.425 0.704 1.00 1.45 H new ATOM 0 HZ2 LYS A 781 -8.803 -5.811 -0.277 1.00 1.45 H new ATOM 0 HZ3 LYS A 781 -8.275 -5.909 1.333 1.00 1.45 H new ATOM 1176 N GLN A 782 -1.729 -4.671 2.395 1.00 54.43 N ATOM 1177 CA GLN A 782 -1.262 -3.962 3.577 1.00 43.13 C ATOM 1178 C GLN A 782 0.208 -3.576 3.456 1.00 2.40 C ATOM 1179 O GLN A 782 0.584 -2.457 3.802 1.00 63.11 O ATOM 1180 CB GLN A 782 -1.486 -4.827 4.812 1.00 2.03 C ATOM 1181 CG GLN A 782 -2.956 -5.016 5.148 1.00 13.02 C ATOM 1182 CD GLN A 782 -3.205 -6.182 6.081 1.00 50.55 C ATOM 1183 OE1 GLN A 782 -4.277 -6.786 6.061 1.00 40.54 O ATOM 1184 NE2 GLN A 782 -2.214 -6.524 6.885 1.00 52.03 N ATOM 0 H GLN A 782 -1.908 -5.663 2.549 1.00 54.43 H new ATOM 0 HA GLN A 782 -1.834 -3.039 3.671 1.00 43.13 H new ATOM 0 HB2 GLN A 782 -1.027 -5.803 4.653 1.00 2.03 H new ATOM 0 HB3 GLN A 782 -0.980 -4.372 5.664 1.00 2.03 H new ATOM 0 HG2 GLN A 782 -3.338 -4.104 5.606 1.00 13.02 H new ATOM 0 HG3 GLN A 782 -3.517 -5.169 4.226 1.00 13.02 H new ATOM 0 HE21 GLN A 782 -1.341 -5.997 6.871 1.00 52.03 H new ATOM 0 HE22 GLN A 782 -2.322 -7.315 7.520 1.00 52.03 H new ATOM 1193 N GLU A 783 1.029 -4.495 2.958 1.00 3.14 N ATOM 1194 CA GLU A 783 2.454 -4.232 2.774 1.00 20.50 C ATOM 1195 C GLU A 783 2.657 -3.064 1.814 1.00 41.21 C ATOM 1196 O GLU A 783 3.507 -2.200 2.037 1.00 33.33 O ATOM 1197 CB GLU A 783 3.173 -5.473 2.233 1.00 42.24 C ATOM 1198 CG GLU A 783 3.027 -6.710 3.108 1.00 31.24 C ATOM 1199 CD GLU A 783 3.573 -6.517 4.506 1.00 72.45 C ATOM 1200 OE1 GLU A 783 4.803 -6.624 4.687 1.00 42.03 O ATOM 1201 OE2 GLU A 783 2.774 -6.273 5.436 1.00 43.31 O ATOM 0 H GLU A 783 0.733 -5.429 2.674 1.00 3.14 H new ATOM 0 HA GLU A 783 2.878 -3.978 3.746 1.00 20.50 H new ATOM 0 HB2 GLU A 783 2.788 -5.698 1.238 1.00 42.24 H new ATOM 0 HB3 GLU A 783 4.233 -5.245 2.120 1.00 42.24 H new ATOM 0 HG2 GLU A 783 1.973 -6.981 3.170 1.00 31.24 H new ATOM 0 HG3 GLU A 783 3.543 -7.545 2.635 1.00 31.24 H new ATOM 1208 N ALA A 784 1.860 -3.043 0.750 1.00 73.11 N ATOM 1209 CA ALA A 784 1.927 -1.971 -0.230 1.00 64.04 C ATOM 1210 C ALA A 784 1.487 -0.651 0.387 1.00 73.45 C ATOM 1211 O ALA A 784 2.168 0.362 0.249 1.00 75.51 O ATOM 1212 CB ALA A 784 1.068 -2.302 -1.442 1.00 25.13 C ATOM 0 H ALA A 784 1.161 -3.758 0.547 1.00 73.11 H new ATOM 0 HA ALA A 784 2.962 -1.870 -0.556 1.00 64.04 H new ATOM 0 HB1 ALA A 784 1.130 -1.489 -2.165 1.00 25.13 H new ATOM 0 HB2 ALA A 784 1.426 -3.224 -1.901 1.00 25.13 H new ATOM 0 HB3 ALA A 784 0.032 -2.431 -1.129 1.00 25.13 H new ATOM 1218 N ALA A 785 0.359 -0.677 1.083 1.00 11.42 N ATOM 1219 CA ALA A 785 -0.192 0.523 1.698 1.00 65.23 C ATOM 1220 C ALA A 785 0.750 1.085 2.761 1.00 3.45 C ATOM 1221 O ALA A 785 0.949 2.297 2.844 1.00 73.10 O ATOM 1222 CB ALA A 785 -1.554 0.222 2.298 1.00 63.01 C ATOM 0 H ALA A 785 -0.195 -1.520 1.236 1.00 11.42 H new ATOM 0 HA ALA A 785 -0.306 1.281 0.923 1.00 65.23 H new ATOM 0 HB1 ALA A 785 -1.958 1.125 2.755 1.00 63.01 H new ATOM 0 HB2 ALA A 785 -2.229 -0.121 1.514 1.00 63.01 H new ATOM 0 HB3 ALA A 785 -1.454 -0.555 3.056 1.00 63.01 H new ATOM 1228 N ASP A 786 1.328 0.193 3.562 1.00 61.23 N ATOM 1229 CA ASP A 786 2.284 0.585 4.597 1.00 22.44 C ATOM 1230 C ASP A 786 3.448 1.345 3.979 1.00 45.14 C ATOM 1231 O ASP A 786 3.763 2.467 4.379 1.00 62.52 O ATOM 1232 CB ASP A 786 2.805 -0.654 5.335 1.00 3.31 C ATOM 1233 CG ASP A 786 3.826 -0.324 6.411 1.00 51.52 C ATOM 1234 OD1 ASP A 786 3.422 -0.107 7.573 1.00 71.45 O ATOM 1235 OD2 ASP A 786 5.039 -0.311 6.106 1.00 54.44 O ATOM 0 H ASP A 786 1.151 -0.810 3.514 1.00 61.23 H new ATOM 0 HA ASP A 786 1.776 1.234 5.310 1.00 22.44 H new ATOM 0 HB2 ASP A 786 1.964 -1.179 5.789 1.00 3.31 H new ATOM 0 HB3 ASP A 786 3.254 -1.336 4.614 1.00 3.31 H new ATOM 1240 N ALA A 787 4.063 0.734 2.976 1.00 63.51 N ATOM 1241 CA ALA A 787 5.194 1.337 2.295 1.00 40.43 C ATOM 1242 C ALA A 787 4.783 2.622 1.582 1.00 33.12 C ATOM 1243 O ALA A 787 5.534 3.595 1.572 1.00 3.12 O ATOM 1244 CB ALA A 787 5.806 0.351 1.314 1.00 54.10 C ATOM 0 H ALA A 787 3.794 -0.182 2.617 1.00 63.51 H new ATOM 0 HA ALA A 787 5.944 1.595 3.043 1.00 40.43 H new ATOM 0 HB1 ALA A 787 6.653 0.817 0.811 1.00 54.10 H new ATOM 0 HB2 ALA A 787 6.146 -0.534 1.852 1.00 54.10 H new ATOM 0 HB3 ALA A 787 5.059 0.062 0.575 1.00 54.10 H new ATOM 1250 N ALA A 788 3.581 2.623 1.008 1.00 63.11 N ATOM 1251 CA ALA A 788 3.075 3.773 0.265 1.00 50.15 C ATOM 1252 C ALA A 788 2.981 5.012 1.146 1.00 60.44 C ATOM 1253 O ALA A 788 3.435 6.088 0.758 1.00 34.31 O ATOM 1254 CB ALA A 788 1.716 3.459 -0.344 1.00 21.21 C ATOM 0 H ALA A 788 2.936 1.833 1.045 1.00 63.11 H new ATOM 0 HA ALA A 788 3.784 3.984 -0.536 1.00 50.15 H new ATOM 0 HB1 ALA A 788 1.354 4.328 -0.894 1.00 21.21 H new ATOM 0 HB2 ALA A 788 1.809 2.612 -1.024 1.00 21.21 H new ATOM 0 HB3 ALA A 788 1.010 3.212 0.449 1.00 21.21 H new ATOM 1260 N LEU A 789 2.405 4.857 2.336 1.00 1.14 N ATOM 1261 CA LEU A 789 2.266 5.974 3.259 1.00 3.33 C ATOM 1262 C LEU A 789 3.641 6.479 3.660 1.00 1.05 C ATOM 1263 O LEU A 789 3.872 7.683 3.756 1.00 0.03 O ATOM 1264 CB LEU A 789 1.479 5.560 4.506 1.00 12.31 C ATOM 1265 CG LEU A 789 0.105 4.944 4.238 1.00 4.03 C ATOM 1266 CD1 LEU A 789 -0.593 4.607 5.546 1.00 44.13 C ATOM 1267 CD2 LEU A 789 -0.745 5.883 3.404 1.00 73.15 C ATOM 0 H LEU A 789 2.030 3.973 2.680 1.00 1.14 H new ATOM 0 HA LEU A 789 1.716 6.770 2.757 1.00 3.33 H new ATOM 0 HB2 LEU A 789 2.076 4.844 5.071 1.00 12.31 H new ATOM 0 HB3 LEU A 789 1.348 6.437 5.140 1.00 12.31 H new ATOM 0 HG LEU A 789 0.245 4.020 3.677 1.00 4.03 H new ATOM 0 HD11 LEU A 789 -1.569 4.170 5.335 1.00 44.13 H new ATOM 0 HD12 LEU A 789 0.011 3.894 6.107 1.00 44.13 H new ATOM 0 HD13 LEU A 789 -0.722 5.516 6.134 1.00 44.13 H new ATOM 0 HD21 LEU A 789 -1.719 5.428 3.223 1.00 73.15 H new ATOM 0 HD22 LEU A 789 -0.877 6.824 3.937 1.00 73.15 H new ATOM 0 HD23 LEU A 789 -0.250 6.072 2.451 1.00 73.15 H new ATOM 1279 N ARG A 790 4.559 5.543 3.861 1.00 12.41 N ATOM 1280 CA ARG A 790 5.928 5.865 4.236 1.00 21.15 C ATOM 1281 C ARG A 790 6.636 6.639 3.128 1.00 55.44 C ATOM 1282 O ARG A 790 7.486 7.487 3.405 1.00 54.34 O ATOM 1283 CB ARG A 790 6.680 4.587 4.585 1.00 21.11 C ATOM 1284 CG ARG A 790 6.164 3.959 5.865 1.00 75.21 C ATOM 1285 CD ARG A 790 6.529 2.496 5.974 1.00 3.33 C ATOM 1286 NE ARG A 790 7.955 2.278 6.194 1.00 54.13 N ATOM 1287 CZ ARG A 790 8.475 1.089 6.482 1.00 20.42 C ATOM 1288 NH1 ARG A 790 7.686 0.023 6.561 1.00 62.44 N ATOM 1289 NH2 ARG A 790 9.779 0.964 6.688 1.00 43.33 N ATOM 0 H ARG A 790 4.376 4.544 3.769 1.00 12.41 H new ATOM 0 HA ARG A 790 5.908 6.509 5.115 1.00 21.15 H new ATOM 0 HB2 ARG A 790 6.584 3.874 3.766 1.00 21.11 H new ATOM 0 HB3 ARG A 790 7.742 4.808 4.692 1.00 21.11 H new ATOM 0 HG2 ARG A 790 6.571 4.497 6.721 1.00 75.21 H new ATOM 0 HG3 ARG A 790 5.080 4.065 5.908 1.00 75.21 H new ATOM 0 HD2 ARG A 790 5.968 2.048 6.794 1.00 3.33 H new ATOM 0 HD3 ARG A 790 6.225 1.983 5.062 1.00 3.33 H new ATOM 0 HE ARG A 790 8.584 3.078 6.123 1.00 54.13 H new ATOM 0 HH11 ARG A 790 6.683 0.118 6.401 1.00 62.44 H new ATOM 0 HH12 ARG A 790 8.083 -0.890 6.782 1.00 62.44 H new ATOM 0 HH21 ARG A 790 10.386 1.781 6.626 1.00 43.33 H new ATOM 0 HH22 ARG A 790 10.175 0.050 6.909 1.00 43.33 H new ATOM 1303 N VAL A 791 6.275 6.357 1.877 1.00 12.53 N ATOM 1304 CA VAL A 791 6.779 7.135 0.749 1.00 52.33 C ATOM 1305 C VAL A 791 6.293 8.573 0.868 1.00 10.01 C ATOM 1306 O VAL A 791 7.084 9.510 0.846 1.00 4.03 O ATOM 1307 CB VAL A 791 6.314 6.577 -0.617 1.00 43.33 C ATOM 1308 CG1 VAL A 791 6.888 7.402 -1.759 1.00 12.44 C ATOM 1309 CG2 VAL A 791 6.700 5.119 -0.777 1.00 21.14 C ATOM 0 H VAL A 791 5.640 5.601 1.621 1.00 12.53 H new ATOM 0 HA VAL A 791 7.867 7.078 0.785 1.00 52.33 H new ATOM 0 HB VAL A 791 5.227 6.645 -0.648 1.00 43.33 H new ATOM 0 HG11 VAL A 791 6.548 6.992 -2.710 1.00 12.44 H new ATOM 0 HG12 VAL A 791 6.551 8.434 -1.667 1.00 12.44 H new ATOM 0 HG13 VAL A 791 7.977 7.371 -1.719 1.00 12.44 H new ATOM 0 HG21 VAL A 791 6.359 4.757 -1.747 1.00 21.14 H new ATOM 0 HG22 VAL A 791 7.784 5.020 -0.713 1.00 21.14 H new ATOM 0 HG23 VAL A 791 6.235 4.531 0.014 1.00 21.14 H new ATOM 1319 N LEU A 792 4.982 8.719 1.021 1.00 23.12 N ATOM 1320 CA LEU A 792 4.338 10.028 1.106 1.00 54.11 C ATOM 1321 C LEU A 792 4.921 10.846 2.254 1.00 51.22 C ATOM 1322 O LEU A 792 5.314 12.001 2.074 1.00 60.14 O ATOM 1323 CB LEU A 792 2.834 9.843 1.311 1.00 3.52 C ATOM 1324 CG LEU A 792 2.172 8.867 0.339 1.00 71.45 C ATOM 1325 CD1 LEU A 792 0.721 8.641 0.718 1.00 71.52 C ATOM 1326 CD2 LEU A 792 2.282 9.374 -1.092 1.00 41.45 C ATOM 0 H LEU A 792 4.334 7.934 1.090 1.00 23.12 H new ATOM 0 HA LEU A 792 4.518 10.567 0.176 1.00 54.11 H new ATOM 0 HB2 LEU A 792 2.660 9.495 2.329 1.00 3.52 H new ATOM 0 HB3 LEU A 792 2.346 10.813 1.218 1.00 3.52 H new ATOM 0 HG LEU A 792 2.695 7.913 0.402 1.00 71.45 H new ATOM 0 HD11 LEU A 792 0.266 7.943 0.015 1.00 71.52 H new ATOM 0 HD12 LEU A 792 0.668 8.227 1.725 1.00 71.52 H new ATOM 0 HD13 LEU A 792 0.185 9.589 0.687 1.00 71.52 H new ATOM 0 HD21 LEU A 792 1.804 8.664 -1.767 1.00 41.45 H new ATOM 0 HD22 LEU A 792 1.788 10.342 -1.174 1.00 41.45 H new ATOM 0 HD23 LEU A 792 3.333 9.480 -1.361 1.00 41.45 H new ATOM 1338 N ILE A 793 4.976 10.230 3.428 1.00 53.00 N ATOM 1339 CA ILE A 793 5.558 10.859 4.606 1.00 52.14 C ATOM 1340 C ILE A 793 7.011 11.255 4.341 1.00 62.12 C ATOM 1341 O ILE A 793 7.404 12.400 4.565 1.00 73.22 O ATOM 1342 CB ILE A 793 5.481 9.910 5.825 1.00 73.14 C ATOM 1343 CG1 ILE A 793 4.019 9.568 6.130 1.00 15.01 C ATOM 1344 CG2 ILE A 793 6.147 10.539 7.043 1.00 61.21 C ATOM 1345 CD1 ILE A 793 3.845 8.400 7.075 1.00 33.24 C ATOM 0 H ILE A 793 4.621 9.287 3.590 1.00 53.00 H new ATOM 0 HA ILE A 793 4.985 11.759 4.828 1.00 52.14 H new ATOM 0 HB ILE A 793 6.016 8.991 5.585 1.00 73.14 H new ATOM 0 HG12 ILE A 793 3.533 10.445 6.559 1.00 15.01 H new ATOM 0 HG13 ILE A 793 3.506 9.345 5.195 1.00 15.01 H new ATOM 0 HG21 ILE A 793 6.081 9.854 7.888 1.00 61.21 H new ATOM 0 HG22 ILE A 793 7.195 10.741 6.821 1.00 61.21 H new ATOM 0 HG23 ILE A 793 5.642 11.472 7.292 1.00 61.21 H new ATOM 0 HD11 ILE A 793 2.783 8.221 7.241 1.00 33.24 H new ATOM 0 HD12 ILE A 793 4.300 7.510 6.641 1.00 33.24 H new ATOM 0 HD13 ILE A 793 4.327 8.626 8.026 1.00 33.24 H new ATOM 1357 N GLY A 794 7.786 10.309 3.816 1.00 54.34 N ATOM 1358 CA GLY A 794 9.188 10.560 3.530 1.00 4.24 C ATOM 1359 C GLY A 794 9.391 11.639 2.480 1.00 43.42 C ATOM 1360 O GLY A 794 10.391 12.359 2.507 1.00 32.32 O ATOM 0 H GLY A 794 7.466 9.369 3.583 1.00 54.34 H new ATOM 0 HA2 GLY A 794 9.695 10.854 4.449 1.00 4.24 H new ATOM 0 HA3 GLY A 794 9.656 9.636 3.190 1.00 4.24 H new ATOM 1364 N GLU A 795 8.444 11.751 1.556 1.00 20.42 N ATOM 1365 CA GLU A 795 8.510 12.761 0.510 1.00 71.10 C ATOM 1366 C GLU A 795 8.360 14.156 1.094 1.00 32.15 C ATOM 1367 O GLU A 795 9.004 15.092 0.635 1.00 25.15 O ATOM 1368 CB GLU A 795 7.425 12.538 -0.550 1.00 14.12 C ATOM 1369 CG GLU A 795 7.695 11.368 -1.481 1.00 72.12 C ATOM 1370 CD GLU A 795 8.992 11.521 -2.246 1.00 42.32 C ATOM 1371 OE1 GLU A 795 9.086 12.441 -3.086 1.00 74.54 O ATOM 1372 OE2 GLU A 795 9.917 10.714 -2.020 1.00 33.33 O ATOM 0 H GLU A 795 7.619 11.152 1.511 1.00 20.42 H new ATOM 0 HA GLU A 795 9.488 12.671 0.037 1.00 71.10 H new ATOM 0 HB2 GLU A 795 6.471 12.376 -0.049 1.00 14.12 H new ATOM 0 HB3 GLU A 795 7.322 13.445 -1.145 1.00 14.12 H new ATOM 0 HG2 GLU A 795 7.726 10.446 -0.900 1.00 72.12 H new ATOM 0 HG3 GLU A 795 6.870 11.272 -2.187 1.00 72.12 H new ATOM 1379 N ASN A 796 7.515 14.286 2.110 1.00 52.41 N ATOM 1380 CA ASN A 796 7.222 15.591 2.692 1.00 4.10 C ATOM 1381 C ASN A 796 8.283 15.989 3.713 1.00 51.11 C ATOM 1382 O ASN A 796 8.601 17.171 3.859 1.00 53.52 O ATOM 1383 CB ASN A 796 5.840 15.593 3.349 1.00 1.23 C ATOM 1384 CG ASN A 796 5.361 16.997 3.676 1.00 33.20 C ATOM 1385 OD1 ASN A 796 4.733 17.654 2.844 1.00 53.43 O ATOM 1386 ND2 ASN A 796 5.646 17.463 4.882 1.00 31.40 N ATOM 0 H ASN A 796 7.022 13.507 2.547 1.00 52.41 H new ATOM 0 HA ASN A 796 7.230 16.322 1.883 1.00 4.10 H new ATOM 0 HB2 ASN A 796 5.123 15.112 2.684 1.00 1.23 H new ATOM 0 HB3 ASN A 796 5.874 15.000 4.263 1.00 1.23 H new ATOM 0 HD21 ASN A 796 5.343 18.399 5.152 1.00 31.40 H new ATOM 0 HD22 ASN A 796 6.168 16.886 5.541 1.00 31.40 H new