USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=11 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 750 SER OG : rot -92:sc= 1.33 USER MOD Set 1.2: A 757 LYS NZ :NH3+ -134:sc= -1.37 (180deg=-3.36!) USER MOD Single : A 722 TYR OH : rot -133:sc= 1.24 USER MOD Single : A 724 ASN : amide:sc= -0.0295 K(o=-0.029,f=-1.8!) USER MOD Single : A 725 THR OG1 : rot 82:sc= 0.672 USER MOD Single : A 726 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.4) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot -21:sc= 0.385 USER MOD Single : A 738 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.06) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 754 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 760 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 761 GLN : amide:sc= -0.785 X(o=-0.78,f=-1.2) USER MOD Single : A 763 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 773 CYS SG : rot 39:sc= -0.0223 USER MOD Single : A 775 HIS : no HD1:sc=-7.96e-05 X(o=-8e-05,f=-0.24) USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ -160:sc= -0.11 (180deg=-0.508) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.84) USER MOD Single : A 781 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00362) USER MOD Single : A 782 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 796 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.284 14.999 7.550 1.00 23.02 N ATOM 148 CA ILE A 716 1.132 13.831 7.356 1.00 14.52 C ATOM 149 C ILE A 716 1.044 12.895 8.559 1.00 53.33 C ATOM 150 O ILE A 716 1.232 11.683 8.436 1.00 72.43 O ATOM 151 CB ILE A 716 2.599 14.251 7.108 1.00 71.34 C ATOM 152 CG1 ILE A 716 2.677 15.203 5.908 1.00 75.13 C ATOM 153 CG2 ILE A 716 3.487 13.039 6.877 1.00 14.34 C ATOM 154 CD1 ILE A 716 2.091 14.626 4.634 1.00 4.13 C ATOM 0 HA ILE A 716 0.774 13.298 6.475 1.00 14.52 H new ATOM 0 HB ILE A 716 2.960 14.766 7.998 1.00 71.34 H new ATOM 0 HG12 ILE A 716 2.152 16.126 6.153 1.00 75.13 H new ATOM 0 HG13 ILE A 716 3.720 15.466 5.731 1.00 75.13 H new ATOM 0 HG21 ILE A 716 4.512 13.367 6.706 1.00 14.34 H new ATOM 0 HG22 ILE A 716 3.455 12.392 7.753 1.00 14.34 H new ATOM 0 HG23 ILE A 716 3.132 12.488 6.006 1.00 14.34 H new ATOM 0 HD11 ILE A 716 2.181 15.355 3.829 1.00 4.13 H new ATOM 0 HD12 ILE A 716 2.631 13.718 4.364 1.00 4.13 H new ATOM 0 HD13 ILE A 716 1.039 14.389 4.792 1.00 4.13 H new ATOM 166 N GLY A 717 0.721 13.463 9.716 1.00 53.33 N ATOM 167 CA GLY A 717 0.571 12.668 10.922 1.00 50.22 C ATOM 168 C GLY A 717 -0.517 11.621 10.783 1.00 44.53 C ATOM 169 O GLY A 717 -0.447 10.555 11.397 1.00 4.42 O ATOM 0 H GLY A 717 0.560 14.462 9.841 1.00 53.33 H new ATOM 0 HA2 GLY A 717 1.517 12.179 11.153 1.00 50.22 H new ATOM 0 HA3 GLY A 717 0.338 13.323 11.761 1.00 50.22 H new ATOM 173 N GLU A 718 -1.520 11.928 9.967 1.00 42.12 N ATOM 174 CA GLU A 718 -2.589 10.986 9.671 1.00 32.53 C ATOM 175 C GLU A 718 -2.014 9.710 9.080 1.00 14.51 C ATOM 176 O GLU A 718 -2.297 8.617 9.548 1.00 22.24 O ATOM 177 CB GLU A 718 -3.585 11.597 8.686 1.00 20.12 C ATOM 178 CG GLU A 718 -4.228 12.876 9.182 1.00 73.54 C ATOM 179 CD GLU A 718 -5.089 12.666 10.404 1.00 51.23 C ATOM 180 OE1 GLU A 718 -6.206 12.124 10.264 1.00 21.12 O ATOM 181 OE2 GLU A 718 -4.658 13.056 11.507 1.00 55.33 O ATOM 0 H GLU A 718 -1.613 12.828 9.497 1.00 42.12 H new ATOM 0 HA GLU A 718 -3.106 10.754 10.602 1.00 32.53 H new ATOM 0 HB2 GLU A 718 -3.074 11.800 7.745 1.00 20.12 H new ATOM 0 HB3 GLU A 718 -4.366 10.867 8.474 1.00 20.12 H new ATOM 0 HG2 GLU A 718 -3.449 13.602 9.413 1.00 73.54 H new ATOM 0 HG3 GLU A 718 -4.836 13.304 8.385 1.00 73.54 H new ATOM 188 N LEU A 719 -1.172 9.856 8.075 1.00 22.31 N ATOM 189 CA LEU A 719 -0.610 8.702 7.393 1.00 73.14 C ATOM 190 C LEU A 719 0.234 7.878 8.364 1.00 63.43 C ATOM 191 O LEU A 719 0.333 6.657 8.244 1.00 21.42 O ATOM 192 CB LEU A 719 0.237 9.130 6.185 1.00 2.55 C ATOM 193 CG LEU A 719 -0.517 9.834 5.043 1.00 2.22 C ATOM 194 CD1 LEU A 719 -1.845 9.149 4.760 1.00 30.04 C ATOM 195 CD2 LEU A 719 -0.728 11.311 5.342 1.00 4.20 C ATOM 0 H LEU A 719 -0.862 10.758 7.712 1.00 22.31 H new ATOM 0 HA LEU A 719 -1.434 8.089 7.027 1.00 73.14 H new ATOM 0 HB2 LEU A 719 1.025 9.796 6.537 1.00 2.55 H new ATOM 0 HB3 LEU A 719 0.726 8.245 5.778 1.00 2.55 H new ATOM 0 HG LEU A 719 0.103 9.759 4.149 1.00 2.22 H new ATOM 0 HD11 LEU A 719 -2.356 9.667 3.949 1.00 30.04 H new ATOM 0 HD12 LEU A 719 -1.666 8.113 4.473 1.00 30.04 H new ATOM 0 HD13 LEU A 719 -2.466 9.175 5.655 1.00 30.04 H new ATOM 0 HD21 LEU A 719 -1.263 11.777 4.515 1.00 4.20 H new ATOM 0 HD22 LEU A 719 -1.311 11.417 6.257 1.00 4.20 H new ATOM 0 HD23 LEU A 719 0.239 11.798 5.469 1.00 4.20 H new ATOM 207 N VAL A 720 0.811 8.561 9.345 1.00 65.30 N ATOM 208 CA VAL A 720 1.625 7.914 10.362 1.00 62.41 C ATOM 209 C VAL A 720 0.748 7.107 11.322 1.00 74.32 C ATOM 210 O VAL A 720 1.076 5.973 11.670 1.00 53.13 O ATOM 211 CB VAL A 720 2.451 8.945 11.166 1.00 60.22 C ATOM 212 CG1 VAL A 720 3.294 8.260 12.230 1.00 14.03 C ATOM 213 CG2 VAL A 720 3.335 9.766 10.239 1.00 53.50 C ATOM 0 H VAL A 720 0.728 9.571 9.456 1.00 65.30 H new ATOM 0 HA VAL A 720 2.313 7.243 9.847 1.00 62.41 H new ATOM 0 HB VAL A 720 1.752 9.616 11.665 1.00 60.22 H new ATOM 0 HG11 VAL A 720 3.864 9.009 12.780 1.00 14.03 H new ATOM 0 HG12 VAL A 720 2.643 7.721 12.919 1.00 14.03 H new ATOM 0 HG13 VAL A 720 3.980 7.558 11.755 1.00 14.03 H new ATOM 0 HG21 VAL A 720 3.908 10.485 10.825 1.00 53.50 H new ATOM 0 HG22 VAL A 720 4.019 9.104 9.708 1.00 53.50 H new ATOM 0 HG23 VAL A 720 2.713 10.298 9.519 1.00 53.50 H new ATOM 223 N ARG A 721 -0.383 7.684 11.730 1.00 61.11 N ATOM 224 CA ARG A 721 -1.286 7.007 12.658 1.00 61.33 C ATOM 225 C ARG A 721 -1.885 5.758 12.006 1.00 35.31 C ATOM 226 O ARG A 721 -2.276 4.809 12.693 1.00 41.54 O ATOM 227 CB ARG A 721 -2.390 7.956 13.161 1.00 12.14 C ATOM 228 CG ARG A 721 -3.420 8.351 12.118 1.00 3.10 C ATOM 229 CD ARG A 721 -4.530 9.204 12.714 1.00 43.34 C ATOM 230 NE ARG A 721 -5.462 8.405 13.508 1.00 31.23 N ATOM 231 CZ ARG A 721 -6.400 8.914 14.309 1.00 74.12 C ATOM 232 NH1 ARG A 721 -6.487 10.226 14.498 1.00 21.55 N ATOM 233 NH2 ARG A 721 -7.241 8.104 14.938 1.00 33.13 N ATOM 0 H ARG A 721 -0.693 8.610 11.435 1.00 61.11 H new ATOM 0 HA ARG A 721 -0.706 6.695 13.527 1.00 61.33 H new ATOM 0 HB2 ARG A 721 -2.904 7.480 13.996 1.00 12.14 H new ATOM 0 HB3 ARG A 721 -1.922 8.861 13.549 1.00 12.14 H new ATOM 0 HG2 ARG A 721 -2.931 8.901 11.314 1.00 3.10 H new ATOM 0 HG3 ARG A 721 -3.850 7.453 11.674 1.00 3.10 H new ATOM 0 HD2 ARG A 721 -4.094 9.982 13.340 1.00 43.34 H new ATOM 0 HD3 ARG A 721 -5.073 9.706 11.913 1.00 43.34 H new ATOM 0 HE ARG A 721 -5.390 7.389 13.445 1.00 31.23 H new ATOM 0 HH11 ARG A 721 -5.834 10.853 14.029 1.00 21.55 H new ATOM 0 HH12 ARG A 721 -7.207 10.606 15.112 1.00 21.55 H new ATOM 0 HH21 ARG A 721 -7.170 7.095 14.809 1.00 33.13 H new ATOM 0 HH22 ARG A 721 -7.959 8.490 15.551 1.00 33.13 H new ATOM 247 N TYR A 722 -1.929 5.746 10.677 1.00 63.23 N ATOM 248 CA TYR A 722 -2.405 4.581 9.947 1.00 32.15 C ATOM 249 C TYR A 722 -1.347 3.486 9.912 1.00 71.45 C ATOM 250 O TYR A 722 -1.678 2.308 9.911 1.00 4.24 O ATOM 251 CB TYR A 722 -2.833 4.953 8.531 1.00 24.41 C ATOM 252 CG TYR A 722 -4.128 5.721 8.495 1.00 31.44 C ATOM 253 CD1 TYR A 722 -5.329 5.110 8.829 1.00 64.13 C ATOM 254 CD2 TYR A 722 -4.152 7.056 8.135 1.00 71.32 C ATOM 255 CE1 TYR A 722 -6.516 5.815 8.806 1.00 74.53 C ATOM 256 CE2 TYR A 722 -5.329 7.768 8.108 1.00 71.04 C ATOM 257 CZ TYR A 722 -6.511 7.144 8.445 1.00 12.24 C ATOM 258 OH TYR A 722 -7.692 7.851 8.429 1.00 22.24 O ATOM 0 H TYR A 722 -1.642 6.527 10.088 1.00 63.23 H new ATOM 0 HA TYR A 722 -3.277 4.198 10.476 1.00 32.15 H new ATOM 0 HB2 TYR A 722 -2.049 5.550 8.064 1.00 24.41 H new ATOM 0 HB3 TYR A 722 -2.938 4.045 7.938 1.00 24.41 H new ATOM 0 HD1 TYR A 722 -5.335 4.068 9.111 1.00 64.13 H new ATOM 0 HD2 TYR A 722 -3.229 7.549 7.870 1.00 71.32 H new ATOM 0 HE1 TYR A 722 -7.443 5.327 9.070 1.00 74.53 H new ATOM 0 HE2 TYR A 722 -5.327 8.810 7.824 1.00 71.04 H new ATOM 0 HH TYR A 722 -7.760 8.355 7.592 1.00 22.24 H new ATOM 268 N LEU A 723 -0.078 3.874 9.906 1.00 3.11 N ATOM 269 CA LEU A 723 1.010 2.901 9.986 1.00 30.13 C ATOM 270 C LEU A 723 0.912 2.116 11.288 1.00 42.24 C ATOM 271 O LEU A 723 1.283 0.942 11.357 1.00 71.33 O ATOM 272 CB LEU A 723 2.372 3.598 9.905 1.00 13.14 C ATOM 273 CG LEU A 723 2.701 4.244 8.558 1.00 63.14 C ATOM 274 CD1 LEU A 723 4.032 4.974 8.634 1.00 33.22 C ATOM 275 CD2 LEU A 723 2.737 3.194 7.461 1.00 0.13 C ATOM 0 H LEU A 723 0.224 4.846 9.847 1.00 3.11 H new ATOM 0 HA LEU A 723 0.919 2.217 9.142 1.00 30.13 H new ATOM 0 HB2 LEU A 723 2.414 4.366 10.677 1.00 13.14 H new ATOM 0 HB3 LEU A 723 3.148 2.869 10.138 1.00 13.14 H new ATOM 0 HG LEU A 723 1.920 4.967 8.320 1.00 63.14 H new ATOM 0 HD11 LEU A 723 4.253 5.429 7.668 1.00 33.22 H new ATOM 0 HD12 LEU A 723 3.978 5.751 9.397 1.00 33.22 H new ATOM 0 HD13 LEU A 723 4.821 4.267 8.891 1.00 33.22 H new ATOM 0 HD21 LEU A 723 2.972 3.670 6.509 1.00 0.13 H new ATOM 0 HD22 LEU A 723 3.500 2.451 7.693 1.00 0.13 H new ATOM 0 HD23 LEU A 723 1.765 2.706 7.392 1.00 0.13 H new ATOM 287 N ASN A 724 0.391 2.779 12.311 1.00 70.30 N ATOM 288 CA ASN A 724 0.229 2.176 13.627 1.00 22.13 C ATOM 289 C ASN A 724 -1.108 1.451 13.744 1.00 41.54 C ATOM 290 O ASN A 724 -1.301 0.630 14.640 1.00 11.23 O ATOM 291 CB ASN A 724 0.328 3.252 14.714 1.00 33.44 C ATOM 292 CG ASN A 724 1.734 3.805 14.879 1.00 32.44 C ATOM 293 OD1 ASN A 724 2.547 3.767 13.955 1.00 53.45 O ATOM 294 ND2 ASN A 724 2.023 4.349 16.048 1.00 2.44 N ATOM 0 H ASN A 724 0.070 3.745 12.253 1.00 70.30 H new ATOM 0 HA ASN A 724 1.027 1.446 13.761 1.00 22.13 H new ATOM 0 HB2 ASN A 724 -0.351 4.069 14.471 1.00 33.44 H new ATOM 0 HB3 ASN A 724 -0.005 2.833 15.663 1.00 33.44 H new ATOM 0 HD21 ASN A 724 2.945 4.755 16.207 1.00 2.44 H new ATOM 0 HD22 ASN A 724 1.324 4.363 16.791 1.00 2.44 H new ATOM 301 N THR A 725 -2.035 1.756 12.842 1.00 15.52 N ATOM 302 CA THR A 725 -3.363 1.156 12.892 1.00 23.45 C ATOM 303 C THR A 725 -3.655 0.326 11.636 1.00 42.23 C ATOM 304 O THR A 725 -3.532 -0.899 11.650 1.00 60.13 O ATOM 305 CB THR A 725 -4.452 2.233 13.065 1.00 31.11 C ATOM 306 OG1 THR A 725 -4.105 3.104 14.152 1.00 23.21 O ATOM 307 CG2 THR A 725 -5.806 1.596 13.338 1.00 23.02 C ATOM 0 H THR A 725 -1.893 2.410 12.073 1.00 15.52 H new ATOM 0 HA THR A 725 -3.379 0.492 13.756 1.00 23.45 H new ATOM 0 HB THR A 725 -4.517 2.806 12.140 1.00 31.11 H new ATOM 0 HG1 THR A 725 -3.465 3.777 13.840 1.00 23.21 H new ATOM 0 HG21 THR A 725 -6.558 2.376 13.456 1.00 23.02 H new ATOM 0 HG22 THR A 725 -6.080 0.952 12.503 1.00 23.02 H new ATOM 0 HG23 THR A 725 -5.752 1.003 14.251 1.00 23.02 H new ATOM 315 N ASN A 726 -4.027 0.996 10.552 1.00 5.12 N ATOM 316 CA ASN A 726 -4.341 0.316 9.301 1.00 64.55 C ATOM 317 C ASN A 726 -3.778 1.086 8.115 1.00 61.00 C ATOM 318 O ASN A 726 -4.296 2.142 7.747 1.00 14.45 O ATOM 319 CB ASN A 726 -5.853 0.149 9.130 1.00 33.21 C ATOM 320 CG ASN A 726 -6.202 -0.532 7.818 1.00 53.44 C ATOM 321 OD1 ASN A 726 -5.448 -1.365 7.319 1.00 3.31 O ATOM 322 ND2 ASN A 726 -7.339 -0.178 7.246 1.00 12.11 N ATOM 0 H ASN A 726 -4.119 2.011 10.514 1.00 5.12 H new ATOM 0 HA ASN A 726 -3.881 -0.671 9.339 1.00 64.55 H new ATOM 0 HB2 ASN A 726 -6.250 -0.436 9.960 1.00 33.21 H new ATOM 0 HB3 ASN A 726 -6.333 1.127 9.171 1.00 33.21 H new ATOM 0 HD21 ASN A 726 -7.617 -0.600 6.360 1.00 12.11 H new ATOM 0 HD22 ASN A 726 -7.939 0.517 7.691 1.00 12.11 H new ATOM 329 N PRO A 727 -2.705 0.565 7.504 1.00 12.21 N ATOM 330 CA PRO A 727 -2.044 1.217 6.370 1.00 24.21 C ATOM 331 C PRO A 727 -2.958 1.363 5.155 1.00 34.31 C ATOM 332 O PRO A 727 -2.933 2.388 4.472 1.00 30.33 O ATOM 333 CB PRO A 727 -0.875 0.280 6.043 1.00 4.13 C ATOM 334 CG PRO A 727 -1.231 -1.026 6.664 1.00 34.52 C ATOM 335 CD PRO A 727 -2.044 -0.695 7.882 1.00 23.45 C ATOM 0 HA PRO A 727 -1.740 2.234 6.619 1.00 24.21 H new ATOM 0 HB2 PRO A 727 -0.741 0.180 4.966 1.00 4.13 H new ATOM 0 HB3 PRO A 727 0.062 0.665 6.446 1.00 4.13 H new ATOM 0 HG2 PRO A 727 -1.800 -1.646 5.971 1.00 34.52 H new ATOM 0 HG3 PRO A 727 -0.336 -1.588 6.932 1.00 34.52 H new ATOM 0 HD2 PRO A 727 -2.767 -1.478 8.110 1.00 23.45 H new ATOM 0 HD3 PRO A 727 -1.417 -0.573 8.765 1.00 23.45 H new ATOM 343 N VAL A 728 -3.778 0.345 4.907 1.00 72.24 N ATOM 344 CA VAL A 728 -4.630 0.318 3.722 1.00 22.14 C ATOM 345 C VAL A 728 -5.633 1.466 3.754 1.00 13.13 C ATOM 346 O VAL A 728 -5.805 2.180 2.764 1.00 55.31 O ATOM 347 CB VAL A 728 -5.384 -1.023 3.592 1.00 71.52 C ATOM 348 CG1 VAL A 728 -6.145 -1.090 2.277 1.00 60.20 C ATOM 349 CG2 VAL A 728 -4.423 -2.195 3.716 1.00 14.44 C ATOM 0 H VAL A 728 -3.870 -0.472 5.511 1.00 72.24 H new ATOM 0 HA VAL A 728 -3.979 0.431 2.855 1.00 22.14 H new ATOM 0 HB VAL A 728 -6.106 -1.086 4.406 1.00 71.52 H new ATOM 0 HG11 VAL A 728 -6.668 -2.044 2.208 1.00 60.20 H new ATOM 0 HG12 VAL A 728 -6.868 -0.275 2.233 1.00 60.20 H new ATOM 0 HG13 VAL A 728 -5.445 -0.999 1.446 1.00 60.20 H new ATOM 0 HG21 VAL A 728 -4.975 -3.130 3.621 1.00 14.44 H new ATOM 0 HG22 VAL A 728 -3.673 -2.135 2.927 1.00 14.44 H new ATOM 0 HG23 VAL A 728 -3.931 -2.161 4.688 1.00 14.44 H new ATOM 359 N GLY A 729 -6.271 1.653 4.903 1.00 45.40 N ATOM 360 CA GLY A 729 -7.229 2.730 5.054 1.00 23.51 C ATOM 361 C GLY A 729 -6.591 4.088 4.861 1.00 1.02 C ATOM 362 O GLY A 729 -7.200 4.990 4.290 1.00 11.24 O ATOM 0 H GLY A 729 -6.141 1.076 5.734 1.00 45.40 H new ATOM 0 HA2 GLY A 729 -8.035 2.602 4.331 1.00 23.51 H new ATOM 0 HA3 GLY A 729 -7.679 2.679 6.045 1.00 23.51 H new ATOM 366 N GLY A 730 -5.351 4.219 5.316 1.00 54.01 N ATOM 367 CA GLY A 730 -4.635 5.471 5.186 1.00 4.54 C ATOM 368 C GLY A 730 -4.311 5.808 3.749 1.00 53.31 C ATOM 369 O GLY A 730 -4.447 6.954 3.331 1.00 73.11 O ATOM 0 H GLY A 730 -4.827 3.474 5.775 1.00 54.01 H new ATOM 0 HA2 GLY A 730 -5.233 6.274 5.618 1.00 4.54 H new ATOM 0 HA3 GLY A 730 -3.710 5.418 5.760 1.00 4.54 H new ATOM 373 N LEU A 731 -3.887 4.806 2.992 1.00 41.31 N ATOM 374 CA LEU A 731 -3.548 5.001 1.590 1.00 1.34 C ATOM 375 C LEU A 731 -4.801 5.376 0.798 1.00 35.41 C ATOM 376 O LEU A 731 -4.773 6.276 -0.046 1.00 31.34 O ATOM 377 CB LEU A 731 -2.894 3.725 1.033 1.00 60.42 C ATOM 378 CG LEU A 731 -2.193 3.847 -0.331 1.00 75.30 C ATOM 379 CD1 LEU A 731 -3.191 3.787 -1.479 1.00 43.41 C ATOM 380 CD2 LEU A 731 -1.382 5.135 -0.401 1.00 13.13 C ATOM 0 H LEU A 731 -3.770 3.849 3.326 1.00 41.31 H new ATOM 0 HA LEU A 731 -2.834 5.819 1.495 1.00 1.34 H new ATOM 0 HB2 LEU A 731 -2.163 3.372 1.761 1.00 60.42 H new ATOM 0 HB3 LEU A 731 -3.662 2.956 0.953 1.00 60.42 H new ATOM 0 HG LEU A 731 -1.517 2.998 -0.432 1.00 75.30 H new ATOM 0 HD11 LEU A 731 -2.661 3.876 -2.427 1.00 43.41 H new ATOM 0 HD12 LEU A 731 -3.723 2.836 -1.449 1.00 43.41 H new ATOM 0 HD13 LEU A 731 -3.905 4.605 -1.384 1.00 43.41 H new ATOM 0 HD21 LEU A 731 -0.893 5.205 -1.373 1.00 13.13 H new ATOM 0 HD22 LEU A 731 -2.045 5.990 -0.266 1.00 13.13 H new ATOM 0 HD23 LEU A 731 -0.627 5.133 0.386 1.00 13.13 H new ATOM 392 N LEU A 732 -5.902 4.697 1.097 1.00 54.44 N ATOM 393 CA LEU A 732 -7.168 4.953 0.421 1.00 75.12 C ATOM 394 C LEU A 732 -7.687 6.354 0.736 1.00 5.20 C ATOM 395 O LEU A 732 -8.089 7.093 -0.166 1.00 34.33 O ATOM 396 CB LEU A 732 -8.212 3.908 0.827 1.00 54.13 C ATOM 397 CG LEU A 732 -7.896 2.470 0.411 1.00 75.13 C ATOM 398 CD1 LEU A 732 -8.940 1.514 0.968 1.00 51.21 C ATOM 399 CD2 LEU A 732 -7.825 2.353 -1.104 1.00 55.24 C ATOM 0 H LEU A 732 -5.944 3.964 1.805 1.00 54.44 H new ATOM 0 HA LEU A 732 -6.992 4.884 -0.653 1.00 75.12 H new ATOM 0 HB2 LEU A 732 -8.329 3.938 1.910 1.00 54.13 H new ATOM 0 HB3 LEU A 732 -9.172 4.191 0.395 1.00 54.13 H new ATOM 0 HG LEU A 732 -6.923 2.200 0.822 1.00 75.13 H new ATOM 0 HD11 LEU A 732 -8.700 0.495 0.663 1.00 51.21 H new ATOM 0 HD12 LEU A 732 -8.945 1.575 2.056 1.00 51.21 H new ATOM 0 HD13 LEU A 732 -9.924 1.786 0.585 1.00 51.21 H new ATOM 0 HD21 LEU A 732 -7.599 1.323 -1.379 1.00 55.24 H new ATOM 0 HD22 LEU A 732 -8.783 2.643 -1.537 1.00 55.24 H new ATOM 0 HD23 LEU A 732 -7.042 3.010 -1.483 1.00 55.24 H new ATOM 411 N GLU A 733 -7.661 6.726 2.012 1.00 13.41 N ATOM 412 CA GLU A 733 -8.209 8.009 2.428 1.00 75.11 C ATOM 413 C GLU A 733 -7.304 9.159 1.989 1.00 53.23 C ATOM 414 O GLU A 733 -7.789 10.252 1.689 1.00 74.11 O ATOM 415 CB GLU A 733 -8.453 8.039 3.941 1.00 0.21 C ATOM 416 CG GLU A 733 -7.203 8.197 4.790 1.00 5.02 C ATOM 417 CD GLU A 733 -7.157 9.540 5.485 1.00 35.50 C ATOM 418 OE1 GLU A 733 -7.772 9.674 6.567 1.00 54.42 O ATOM 419 OE2 GLU A 733 -6.529 10.474 4.951 1.00 54.42 O ATOM 0 H GLU A 733 -7.270 6.163 2.768 1.00 13.41 H new ATOM 0 HA GLU A 733 -9.173 8.139 1.935 1.00 75.11 H new ATOM 0 HB2 GLU A 733 -9.134 8.859 4.168 1.00 0.21 H new ATOM 0 HB3 GLU A 733 -8.957 7.117 4.231 1.00 0.21 H new ATOM 0 HG2 GLU A 733 -7.167 7.402 5.535 1.00 5.02 H new ATOM 0 HG3 GLU A 733 -6.320 8.084 4.161 1.00 5.02 H new ATOM 426 N TYR A 734 -5.998 8.905 1.928 1.00 60.22 N ATOM 427 CA TYR A 734 -5.052 9.891 1.428 1.00 15.01 C ATOM 428 C TYR A 734 -5.430 10.308 0.013 1.00 34.13 C ATOM 429 O TYR A 734 -5.511 11.498 -0.296 1.00 2.41 O ATOM 430 CB TYR A 734 -3.626 9.326 1.442 1.00 55.14 C ATOM 431 CG TYR A 734 -2.677 10.038 0.499 1.00 52.02 C ATOM 432 CD1 TYR A 734 -2.017 11.201 0.875 1.00 35.30 C ATOM 433 CD2 TYR A 734 -2.461 9.544 -0.781 1.00 31.01 C ATOM 434 CE1 TYR A 734 -1.163 11.846 0.001 1.00 30.31 C ATOM 435 CE2 TYR A 734 -1.614 10.187 -1.661 1.00 63.00 C ATOM 436 CZ TYR A 734 -0.966 11.337 -1.265 1.00 71.32 C ATOM 437 OH TYR A 734 -0.121 11.985 -2.141 1.00 40.35 O ATOM 0 H TYR A 734 -5.575 8.024 2.219 1.00 60.22 H new ATOM 0 HA TYR A 734 -5.087 10.764 2.080 1.00 15.01 H new ATOM 0 HB2 TYR A 734 -3.231 9.388 2.456 1.00 55.14 H new ATOM 0 HB3 TYR A 734 -3.661 8.269 1.178 1.00 55.14 H new ATOM 0 HD1 TYR A 734 -2.173 11.606 1.864 1.00 35.30 H new ATOM 0 HD2 TYR A 734 -2.965 8.641 -1.093 1.00 31.01 H new ATOM 0 HE1 TYR A 734 -0.651 12.746 0.309 1.00 30.31 H new ATOM 0 HE2 TYR A 734 -1.460 9.791 -2.654 1.00 63.00 H new ATOM 0 HH TYR A 734 -0.092 11.496 -2.990 1.00 40.35 H new ATOM 447 N ALA A 735 -5.675 9.321 -0.834 1.00 73.41 N ATOM 448 CA ALA A 735 -5.964 9.575 -2.229 1.00 1.04 C ATOM 449 C ALA A 735 -7.270 10.335 -2.377 1.00 45.12 C ATOM 450 O ALA A 735 -7.314 11.397 -2.995 1.00 24.34 O ATOM 451 CB ALA A 735 -6.016 8.266 -3.001 1.00 33.22 C ATOM 0 H ALA A 735 -5.679 8.335 -0.575 1.00 73.41 H new ATOM 0 HA ALA A 735 -5.165 10.191 -2.642 1.00 1.04 H new ATOM 0 HB1 ALA A 735 -6.234 8.470 -4.049 1.00 33.22 H new ATOM 0 HB2 ALA A 735 -5.054 7.759 -2.923 1.00 33.22 H new ATOM 0 HB3 ALA A 735 -6.797 7.629 -2.585 1.00 33.22 H new ATOM 457 N ARG A 736 -8.314 9.807 -1.759 1.00 43.40 N ATOM 458 CA ARG A 736 -9.652 10.364 -1.893 1.00 72.40 C ATOM 459 C ARG A 736 -9.719 11.789 -1.350 1.00 24.20 C ATOM 460 O ARG A 736 -10.457 12.627 -1.865 1.00 12.45 O ATOM 461 CB ARG A 736 -10.654 9.462 -1.172 1.00 42.32 C ATOM 462 CG ARG A 736 -10.636 9.571 0.345 1.00 15.12 C ATOM 463 CD ARG A 736 -11.607 8.589 0.977 1.00 41.10 C ATOM 464 NE ARG A 736 -11.575 8.638 2.438 1.00 65.45 N ATOM 465 CZ ARG A 736 -12.048 7.668 3.221 1.00 72.22 C ATOM 466 NH1 ARG A 736 -12.647 6.612 2.682 1.00 22.02 N ATOM 467 NH2 ARG A 736 -11.929 7.753 4.541 1.00 5.42 N ATOM 0 H ARG A 736 -8.260 8.987 -1.155 1.00 43.40 H new ATOM 0 HA ARG A 736 -9.905 10.409 -2.952 1.00 72.40 H new ATOM 0 HB2 ARG A 736 -11.657 9.700 -1.527 1.00 42.32 H new ATOM 0 HB3 ARG A 736 -10.455 8.427 -1.450 1.00 42.32 H new ATOM 0 HG2 ARG A 736 -9.629 9.379 0.714 1.00 15.12 H new ATOM 0 HG3 ARG A 736 -10.896 10.587 0.643 1.00 15.12 H new ATOM 0 HD2 ARG A 736 -12.617 8.807 0.631 1.00 41.10 H new ATOM 0 HD3 ARG A 736 -11.367 7.579 0.644 1.00 41.10 H new ATOM 0 HE ARG A 736 -11.168 9.460 2.883 1.00 65.45 H new ATOM 0 HH11 ARG A 736 -12.745 6.543 1.669 1.00 22.02 H new ATOM 0 HH12 ARG A 736 -13.009 5.870 3.281 1.00 22.02 H new ATOM 0 HH21 ARG A 736 -11.474 8.563 4.961 1.00 5.42 H new ATOM 0 HH22 ARG A 736 -12.293 7.008 5.135 1.00 5.42 H new ATOM 481 N SER A 737 -8.931 12.053 -0.320 1.00 21.53 N ATOM 482 CA SER A 737 -8.902 13.366 0.312 1.00 10.41 C ATOM 483 C SER A 737 -7.979 14.332 -0.434 1.00 42.34 C ATOM 484 O SER A 737 -7.984 15.531 -0.163 1.00 22.42 O ATOM 485 CB SER A 737 -8.454 13.231 1.773 1.00 1.23 C ATOM 486 OG SER A 737 -8.409 14.491 2.423 1.00 31.24 O ATOM 0 H SER A 737 -8.298 11.372 0.100 1.00 21.53 H new ATOM 0 HA SER A 737 -9.910 13.778 0.276 1.00 10.41 H new ATOM 0 HB2 SER A 737 -9.139 12.571 2.305 1.00 1.23 H new ATOM 0 HB3 SER A 737 -7.469 12.766 1.811 1.00 1.23 H new ATOM 0 HG SER A 737 -8.335 15.202 1.753 1.00 31.24 H new ATOM 492 N HIS A 738 -7.176 13.815 -1.358 1.00 5.11 N ATOM 493 CA HIS A 738 -6.223 14.657 -2.082 1.00 12.31 C ATOM 494 C HIS A 738 -6.576 14.778 -3.562 1.00 3.42 C ATOM 495 O HIS A 738 -5.971 15.569 -4.285 1.00 24.04 O ATOM 496 CB HIS A 738 -4.798 14.118 -1.926 1.00 1.44 C ATOM 497 CG HIS A 738 -4.197 14.361 -0.571 1.00 32.34 C ATOM 498 ND1 HIS A 738 -2.885 14.730 -0.387 1.00 61.52 N ATOM 499 CD2 HIS A 738 -4.731 14.264 0.672 1.00 64.41 C ATOM 500 CE1 HIS A 738 -2.635 14.846 0.903 1.00 41.10 C ATOM 501 NE2 HIS A 738 -3.741 14.572 1.570 1.00 45.42 N ATOM 0 H HIS A 738 -7.163 12.830 -1.623 1.00 5.11 H new ATOM 0 HA HIS A 738 -6.279 15.653 -1.644 1.00 12.31 H new ATOM 0 HB2 HIS A 738 -4.803 13.046 -2.123 1.00 1.44 H new ATOM 0 HB3 HIS A 738 -4.162 14.578 -2.682 1.00 1.44 H new ATOM 0 HD2 HIS A 738 -5.749 13.994 0.911 1.00 64.41 H new ATOM 0 HE1 HIS A 738 -1.686 15.119 1.340 1.00 41.10 H new ATOM 0 HE2 HIS A 738 -3.842 14.587 2.585 1.00 45.42 H new ATOM 510 N GLY A 739 -7.548 13.998 -4.012 1.00 20.13 N ATOM 511 CA GLY A 739 -7.970 14.069 -5.399 1.00 24.10 C ATOM 512 C GLY A 739 -7.380 12.959 -6.249 1.00 51.44 C ATOM 513 O GLY A 739 -7.514 12.964 -7.472 1.00 32.55 O ATOM 0 H GLY A 739 -8.052 13.318 -3.444 1.00 20.13 H new ATOM 0 HA2 GLY A 739 -9.058 14.018 -5.446 1.00 24.10 H new ATOM 0 HA3 GLY A 739 -7.678 15.033 -5.814 1.00 24.10 H new ATOM 517 N PHE A 740 -6.721 12.013 -5.599 1.00 3.44 N ATOM 518 CA PHE A 740 -6.143 10.867 -6.288 1.00 5.22 C ATOM 519 C PHE A 740 -7.082 9.672 -6.194 1.00 21.13 C ATOM 520 O PHE A 740 -7.990 9.651 -5.364 1.00 73.55 O ATOM 521 CB PHE A 740 -4.788 10.492 -5.681 1.00 33.13 C ATOM 522 CG PHE A 740 -3.730 11.546 -5.819 1.00 22.03 C ATOM 523 CD1 PHE A 740 -3.563 12.513 -4.842 1.00 44.11 C ATOM 524 CD2 PHE A 740 -2.895 11.561 -6.922 1.00 74.14 C ATOM 525 CE1 PHE A 740 -2.581 13.477 -4.962 1.00 73.31 C ATOM 526 CE2 PHE A 740 -1.913 12.521 -7.051 1.00 3.20 C ATOM 527 CZ PHE A 740 -1.755 13.481 -6.069 1.00 70.13 C ATOM 0 H PHE A 740 -6.572 12.015 -4.590 1.00 3.44 H new ATOM 0 HA PHE A 740 -5.999 11.140 -7.333 1.00 5.22 H new ATOM 0 HB2 PHE A 740 -4.927 10.272 -4.623 1.00 33.13 H new ATOM 0 HB3 PHE A 740 -4.434 9.576 -6.154 1.00 33.13 H new ATOM 0 HD1 PHE A 740 -4.208 12.513 -3.976 1.00 44.11 H new ATOM 0 HD2 PHE A 740 -3.013 10.812 -7.691 1.00 74.14 H new ATOM 0 HE1 PHE A 740 -2.459 14.225 -4.193 1.00 73.31 H new ATOM 0 HE2 PHE A 740 -1.269 12.523 -7.918 1.00 3.20 H new ATOM 0 HZ PHE A 740 -0.986 14.233 -6.167 1.00 70.13 H new ATOM 537 N ALA A 741 -6.858 8.679 -7.035 1.00 64.35 N ATOM 538 CA ALA A 741 -7.616 7.442 -6.963 1.00 40.21 C ATOM 539 C ALA A 741 -6.698 6.305 -6.543 1.00 12.33 C ATOM 540 O ALA A 741 -5.725 5.999 -7.237 1.00 43.21 O ATOM 541 CB ALA A 741 -8.283 7.141 -8.296 1.00 12.22 C ATOM 0 H ALA A 741 -6.158 8.704 -7.776 1.00 64.35 H new ATOM 0 HA ALA A 741 -8.404 7.550 -6.218 1.00 40.21 H new ATOM 0 HB1 ALA A 741 -8.845 6.210 -8.220 1.00 12.22 H new ATOM 0 HB2 ALA A 741 -8.961 7.954 -8.556 1.00 12.22 H new ATOM 0 HB3 ALA A 741 -7.522 7.042 -9.070 1.00 12.22 H new ATOM 547 N ALA A 742 -7.002 5.697 -5.405 1.00 21.41 N ATOM 548 CA ALA A 742 -6.158 4.649 -4.845 1.00 42.35 C ATOM 549 C ALA A 742 -6.640 3.272 -5.275 1.00 53.54 C ATOM 550 O ALA A 742 -7.818 2.940 -5.131 1.00 30.43 O ATOM 551 CB ALA A 742 -6.133 4.748 -3.328 1.00 41.03 C ATOM 0 H ALA A 742 -7.830 5.912 -4.849 1.00 21.41 H new ATOM 0 HA ALA A 742 -5.146 4.788 -5.226 1.00 42.35 H new ATOM 0 HB1 ALA A 742 -5.499 3.960 -2.922 1.00 41.03 H new ATOM 0 HB2 ALA A 742 -5.737 5.720 -3.033 1.00 41.03 H new ATOM 0 HB3 ALA A 742 -7.145 4.636 -2.939 1.00 41.03 H new ATOM 557 N GLU A 743 -5.724 2.480 -5.807 1.00 71.51 N ATOM 558 CA GLU A 743 -6.044 1.137 -6.272 1.00 70.11 C ATOM 559 C GLU A 743 -4.930 0.167 -5.900 1.00 34.14 C ATOM 560 O GLU A 743 -3.781 0.570 -5.718 1.00 34.11 O ATOM 561 CB GLU A 743 -6.255 1.129 -7.789 1.00 13.31 C ATOM 562 CG GLU A 743 -7.456 1.938 -8.253 1.00 25.22 C ATOM 563 CD GLU A 743 -7.554 2.012 -9.760 1.00 64.00 C ATOM 564 OE1 GLU A 743 -7.805 0.968 -10.397 1.00 25.52 O ATOM 565 OE2 GLU A 743 -7.368 3.112 -10.319 1.00 25.22 O ATOM 0 H GLU A 743 -4.746 2.744 -5.929 1.00 71.51 H new ATOM 0 HA GLU A 743 -6.967 0.819 -5.787 1.00 70.11 H new ATOM 0 HB2 GLU A 743 -5.359 1.519 -8.272 1.00 13.31 H new ATOM 0 HB3 GLU A 743 -6.374 0.098 -8.123 1.00 13.31 H new ATOM 0 HG2 GLU A 743 -8.367 1.492 -7.854 1.00 25.22 H new ATOM 0 HG3 GLU A 743 -7.390 2.947 -7.846 1.00 25.22 H new ATOM 572 N PHE A 744 -5.277 -1.103 -5.782 1.00 3.30 N ATOM 573 CA PHE A 744 -4.309 -2.146 -5.468 1.00 4.54 C ATOM 574 C PHE A 744 -4.426 -3.277 -6.476 1.00 63.31 C ATOM 575 O PHE A 744 -5.442 -3.971 -6.523 1.00 14.13 O ATOM 576 CB PHE A 744 -4.537 -2.700 -4.056 1.00 1.24 C ATOM 577 CG PHE A 744 -4.258 -1.725 -2.948 1.00 64.22 C ATOM 578 CD1 PHE A 744 -2.995 -1.640 -2.388 1.00 73.42 C ATOM 579 CD2 PHE A 744 -5.262 -0.905 -2.456 1.00 22.22 C ATOM 580 CE1 PHE A 744 -2.735 -0.755 -1.358 1.00 22.21 C ATOM 581 CE2 PHE A 744 -5.010 -0.017 -1.428 1.00 65.14 C ATOM 582 CZ PHE A 744 -3.745 0.058 -0.878 1.00 54.54 C ATOM 0 H PHE A 744 -6.232 -1.442 -5.900 1.00 3.30 H new ATOM 0 HA PHE A 744 -3.311 -1.709 -5.515 1.00 4.54 H new ATOM 0 HB2 PHE A 744 -5.571 -3.036 -3.975 1.00 1.24 H new ATOM 0 HB3 PHE A 744 -3.905 -3.577 -3.918 1.00 1.24 H new ATOM 0 HD1 PHE A 744 -2.203 -2.273 -2.760 1.00 73.42 H new ATOM 0 HD2 PHE A 744 -6.253 -0.961 -2.882 1.00 22.22 H new ATOM 0 HE1 PHE A 744 -1.745 -0.699 -0.929 1.00 22.21 H new ATOM 0 HE2 PHE A 744 -5.801 0.617 -1.055 1.00 65.14 H new ATOM 0 HZ PHE A 744 -3.545 0.751 -0.074 1.00 54.54 H new ATOM 592 N LYS A 745 -3.400 -3.466 -7.292 1.00 13.22 N ATOM 593 CA LYS A 745 -3.437 -4.529 -8.283 1.00 12.40 C ATOM 594 C LYS A 745 -2.434 -5.622 -7.954 1.00 31.43 C ATOM 595 O LYS A 745 -1.382 -5.365 -7.361 1.00 43.02 O ATOM 596 CB LYS A 745 -3.175 -3.996 -9.695 1.00 44.41 C ATOM 597 CG LYS A 745 -1.810 -3.355 -9.889 1.00 52.24 C ATOM 598 CD LYS A 745 -1.319 -3.531 -11.320 1.00 43.12 C ATOM 599 CE LYS A 745 -2.337 -3.030 -12.330 1.00 23.32 C ATOM 600 NZ LYS A 745 -1.933 -3.337 -13.726 1.00 11.14 N ATOM 0 H LYS A 745 -2.546 -2.908 -7.289 1.00 13.22 H new ATOM 0 HA LYS A 745 -4.442 -4.951 -8.255 1.00 12.40 H new ATOM 0 HB2 LYS A 745 -3.280 -4.817 -10.404 1.00 44.41 H new ATOM 0 HB3 LYS A 745 -3.944 -3.263 -9.940 1.00 44.41 H new ATOM 0 HG2 LYS A 745 -1.866 -2.293 -9.649 1.00 52.24 H new ATOM 0 HG3 LYS A 745 -1.094 -3.801 -9.198 1.00 52.24 H new ATOM 0 HD2 LYS A 745 -0.381 -2.992 -11.451 1.00 43.12 H new ATOM 0 HD3 LYS A 745 -1.110 -4.585 -11.506 1.00 43.12 H new ATOM 0 HE2 LYS A 745 -3.306 -3.485 -12.125 1.00 23.32 H new ATOM 0 HE3 LYS A 745 -2.460 -1.953 -12.217 1.00 23.32 H new ATOM 0 HZ1 LYS A 745 -2.655 -2.978 -14.383 1.00 11.14 H new ATOM 0 HZ2 LYS A 745 -1.021 -2.882 -13.931 1.00 11.14 H new ATOM 0 HZ3 LYS A 745 -1.840 -4.366 -13.842 1.00 11.14 H new ATOM 614 N LEU A 746 -2.774 -6.838 -8.341 1.00 51.23 N ATOM 615 CA LEU A 746 -1.899 -7.980 -8.157 1.00 2.32 C ATOM 616 C LEU A 746 -1.115 -8.192 -9.445 1.00 45.25 C ATOM 617 O LEU A 746 -1.660 -8.662 -10.443 1.00 23.31 O ATOM 618 CB LEU A 746 -2.736 -9.219 -7.799 1.00 60.04 C ATOM 619 CG LEU A 746 -1.972 -10.425 -7.237 1.00 61.22 C ATOM 620 CD1 LEU A 746 -2.937 -11.368 -6.537 1.00 45.22 C ATOM 621 CD2 LEU A 746 -1.233 -11.174 -8.336 1.00 50.23 C ATOM 0 H LEU A 746 -3.662 -7.061 -8.790 1.00 51.23 H new ATOM 0 HA LEU A 746 -1.200 -7.806 -7.339 1.00 2.32 H new ATOM 0 HB2 LEU A 746 -3.489 -8.922 -7.069 1.00 60.04 H new ATOM 0 HB3 LEU A 746 -3.269 -9.540 -8.694 1.00 60.04 H new ATOM 0 HG LEU A 746 -1.237 -10.054 -6.523 1.00 61.22 H new ATOM 0 HD11 LEU A 746 -2.388 -12.222 -6.140 1.00 45.22 H new ATOM 0 HD12 LEU A 746 -3.431 -10.843 -5.719 1.00 45.22 H new ATOM 0 HD13 LEU A 746 -3.686 -11.717 -7.249 1.00 45.22 H new ATOM 0 HD21 LEU A 746 -0.702 -12.022 -7.904 1.00 50.23 H new ATOM 0 HD22 LEU A 746 -1.948 -11.532 -9.077 1.00 50.23 H new ATOM 0 HD23 LEU A 746 -0.519 -10.505 -8.815 1.00 50.23 H new ATOM 633 N VAL A 747 0.151 -7.817 -9.426 1.00 13.21 N ATOM 634 CA VAL A 747 0.976 -7.853 -10.624 1.00 42.30 C ATOM 635 C VAL A 747 1.414 -9.277 -10.943 1.00 0.02 C ATOM 636 O VAL A 747 1.359 -9.712 -12.095 1.00 74.45 O ATOM 637 CB VAL A 747 2.225 -6.956 -10.473 1.00 54.20 C ATOM 638 CG1 VAL A 747 3.047 -6.945 -11.753 1.00 22.30 C ATOM 639 CG2 VAL A 747 1.825 -5.540 -10.082 1.00 43.33 C ATOM 0 H VAL A 747 0.633 -7.483 -8.592 1.00 13.21 H new ATOM 0 HA VAL A 747 0.367 -7.473 -11.444 1.00 42.30 H new ATOM 0 HB VAL A 747 2.844 -7.372 -9.678 1.00 54.20 H new ATOM 0 HG11 VAL A 747 3.920 -6.306 -11.619 1.00 22.30 H new ATOM 0 HG12 VAL A 747 3.372 -7.959 -11.986 1.00 22.30 H new ATOM 0 HG13 VAL A 747 2.439 -6.562 -12.573 1.00 22.30 H new ATOM 0 HG21 VAL A 747 2.719 -4.924 -9.981 1.00 43.33 H new ATOM 0 HG22 VAL A 747 1.179 -5.118 -10.852 1.00 43.33 H new ATOM 0 HG23 VAL A 747 1.290 -5.562 -9.133 1.00 43.33 H new ATOM 649 N ASP A 748 1.836 -10.004 -9.921 1.00 31.34 N ATOM 650 CA ASP A 748 2.370 -11.344 -10.117 1.00 42.44 C ATOM 651 C ASP A 748 2.167 -12.203 -8.875 1.00 30.01 C ATOM 652 O ASP A 748 2.152 -11.692 -7.759 1.00 41.01 O ATOM 653 CB ASP A 748 3.863 -11.258 -10.454 1.00 73.21 C ATOM 654 CG ASP A 748 4.515 -12.617 -10.574 1.00 62.20 C ATOM 655 OD1 ASP A 748 4.308 -13.287 -11.607 1.00 62.11 O ATOM 656 OD2 ASP A 748 5.251 -13.014 -9.649 1.00 73.32 O ATOM 0 H ASP A 748 1.820 -9.691 -8.950 1.00 31.34 H new ATOM 0 HA ASP A 748 1.834 -11.811 -10.943 1.00 42.44 H new ATOM 0 HB2 ASP A 748 3.989 -10.716 -11.391 1.00 73.21 H new ATOM 0 HB3 ASP A 748 4.373 -10.682 -9.681 1.00 73.21 H new ATOM 661 N GLN A 749 1.989 -13.500 -9.078 1.00 72.14 N ATOM 662 CA GLN A 749 1.919 -14.446 -7.974 1.00 13.20 C ATOM 663 C GLN A 749 2.695 -15.714 -8.330 1.00 43.33 C ATOM 664 O GLN A 749 2.201 -16.609 -9.022 1.00 55.14 O ATOM 665 CB GLN A 749 0.465 -14.763 -7.589 1.00 11.21 C ATOM 666 CG GLN A 749 -0.396 -15.292 -8.725 1.00 44.20 C ATOM 667 CD GLN A 749 -1.812 -15.597 -8.283 1.00 33.21 C ATOM 668 OE1 GLN A 749 -2.700 -14.748 -8.359 1.00 44.20 O ATOM 669 NE2 GLN A 749 -2.031 -16.808 -7.797 1.00 11.40 N ATOM 0 H GLN A 749 1.890 -13.923 -10.001 1.00 72.14 H new ATOM 0 HA GLN A 749 2.380 -13.990 -7.098 1.00 13.20 H new ATOM 0 HB2 GLN A 749 0.469 -15.497 -6.783 1.00 11.21 H new ATOM 0 HB3 GLN A 749 0.003 -13.858 -7.193 1.00 11.21 H new ATOM 0 HG2 GLN A 749 -0.420 -14.558 -9.531 1.00 44.20 H new ATOM 0 HG3 GLN A 749 0.058 -16.196 -9.130 1.00 44.20 H new ATOM 0 HE21 GLN A 749 -1.269 -17.484 -7.750 1.00 11.40 H new ATOM 0 HE22 GLN A 749 -2.962 -17.065 -7.469 1.00 11.40 H new ATOM 678 N SER A 750 3.928 -15.771 -7.868 1.00 35.50 N ATOM 679 CA SER A 750 4.829 -16.856 -8.219 1.00 15.32 C ATOM 680 C SER A 750 5.464 -17.463 -6.974 1.00 32.03 C ATOM 681 O SER A 750 5.178 -17.039 -5.857 1.00 61.40 O ATOM 682 CB SER A 750 5.904 -16.332 -9.169 1.00 22.32 C ATOM 683 OG SER A 750 6.431 -15.104 -8.698 1.00 44.10 O ATOM 0 H SER A 750 4.333 -15.074 -7.244 1.00 35.50 H new ATOM 0 HA SER A 750 4.260 -17.642 -8.715 1.00 15.32 H new ATOM 0 HB2 SER A 750 6.705 -17.066 -9.261 1.00 22.32 H new ATOM 0 HB3 SER A 750 5.482 -16.195 -10.164 1.00 22.32 H new ATOM 0 HG SER A 750 5.926 -14.360 -9.088 1.00 44.10 H new ATOM 689 N GLY A 751 6.320 -18.453 -7.166 1.00 30.21 N ATOM 690 CA GLY A 751 6.984 -19.079 -6.045 1.00 11.42 C ATOM 691 C GLY A 751 6.389 -20.427 -5.708 1.00 31.10 C ATOM 692 O GLY A 751 5.419 -20.850 -6.340 1.00 13.14 O ATOM 0 H GLY A 751 6.567 -18.834 -8.079 1.00 30.21 H new ATOM 0 HA2 GLY A 751 8.043 -19.198 -6.273 1.00 11.42 H new ATOM 0 HA3 GLY A 751 6.917 -18.426 -5.175 1.00 11.42 H new ATOM 696 N PRO A 752 6.945 -21.116 -4.703 1.00 34.40 N ATOM 697 CA PRO A 752 6.491 -22.450 -4.299 1.00 31.41 C ATOM 698 C PRO A 752 5.066 -22.426 -3.747 1.00 12.12 C ATOM 699 O PRO A 752 4.570 -21.376 -3.343 1.00 40.10 O ATOM 700 CB PRO A 752 7.484 -22.846 -3.201 1.00 53.11 C ATOM 701 CG PRO A 752 8.009 -21.555 -2.683 1.00 31.53 C ATOM 702 CD PRO A 752 8.057 -20.637 -3.867 1.00 2.15 C ATOM 0 HA PRO A 752 6.465 -23.147 -5.137 1.00 31.41 H new ATOM 0 HB2 PRO A 752 6.995 -23.419 -2.413 1.00 53.11 H new ATOM 0 HB3 PRO A 752 8.286 -23.469 -3.598 1.00 53.11 H new ATOM 0 HG2 PRO A 752 7.363 -21.154 -1.902 1.00 31.53 H new ATOM 0 HG3 PRO A 752 8.999 -21.682 -2.244 1.00 31.53 H new ATOM 0 HD2 PRO A 752 7.923 -19.595 -3.576 1.00 2.15 H new ATOM 0 HD3 PRO A 752 9.012 -20.702 -4.389 1.00 2.15 H new ATOM 710 N PRO A 753 4.389 -23.582 -3.721 1.00 70.20 N ATOM 711 CA PRO A 753 3.005 -23.678 -3.244 1.00 1.11 C ATOM 712 C PRO A 753 2.865 -23.314 -1.767 1.00 22.24 C ATOM 713 O PRO A 753 1.818 -22.833 -1.331 1.00 33.11 O ATOM 714 CB PRO A 753 2.643 -25.150 -3.470 1.00 42.53 C ATOM 715 CG PRO A 753 3.949 -25.863 -3.552 1.00 11.32 C ATOM 716 CD PRO A 753 4.912 -24.887 -4.162 1.00 33.20 C ATOM 0 HA PRO A 753 2.352 -22.981 -3.769 1.00 1.11 H new ATOM 0 HB2 PRO A 753 2.034 -25.536 -2.653 1.00 42.53 H new ATOM 0 HB3 PRO A 753 2.066 -25.278 -4.386 1.00 42.53 H new ATOM 0 HG2 PRO A 753 4.285 -26.178 -2.564 1.00 11.32 H new ATOM 0 HG3 PRO A 753 3.865 -26.763 -4.162 1.00 11.32 H new ATOM 0 HD2 PRO A 753 5.931 -25.053 -3.811 1.00 33.20 H new ATOM 0 HD3 PRO A 753 4.933 -24.967 -5.249 1.00 33.20 H new ATOM 724 N HIS A 754 3.926 -23.531 -1.000 1.00 13.40 N ATOM 725 CA HIS A 754 3.900 -23.241 0.429 1.00 4.13 C ATOM 726 C HIS A 754 4.266 -21.783 0.698 1.00 54.42 C ATOM 727 O HIS A 754 4.032 -21.267 1.789 1.00 2.25 O ATOM 728 CB HIS A 754 4.841 -24.186 1.190 1.00 23.31 C ATOM 729 CG HIS A 754 6.286 -24.058 0.814 1.00 13.31 C ATOM 730 ND1 HIS A 754 6.828 -24.778 -0.222 1.00 1.32 N ATOM 731 CD2 HIS A 754 7.253 -23.296 1.378 1.00 2.35 C ATOM 732 CE1 HIS A 754 8.105 -24.439 -0.266 1.00 31.01 C ATOM 733 NE2 HIS A 754 8.407 -23.544 0.684 1.00 21.02 N ATOM 0 H HIS A 754 4.812 -23.905 -1.341 1.00 13.40 H new ATOM 0 HA HIS A 754 2.884 -23.405 0.789 1.00 4.13 H new ATOM 0 HB2 HIS A 754 4.738 -23.998 2.259 1.00 23.31 H new ATOM 0 HB3 HIS A 754 4.523 -25.214 1.015 1.00 23.31 H new ATOM 0 HD2 HIS A 754 7.136 -22.622 2.214 1.00 2.35 H new ATOM 0 HE1 HIS A 754 8.815 -24.834 -0.978 1.00 31.01 H new ATOM 0 HE2 HIS A 754 9.322 -23.127 0.857 1.00 21.02 H new ATOM 741 N GLU A 755 4.828 -21.124 -0.307 1.00 43.53 N ATOM 742 CA GLU A 755 5.203 -19.719 -0.196 1.00 54.01 C ATOM 743 C GLU A 755 4.857 -18.965 -1.477 1.00 43.32 C ATOM 744 O GLU A 755 5.736 -18.654 -2.282 1.00 60.23 O ATOM 745 CB GLU A 755 6.699 -19.575 0.110 1.00 24.44 C ATOM 746 CG GLU A 755 7.052 -19.756 1.577 1.00 63.40 C ATOM 747 CD GLU A 755 6.461 -18.673 2.458 1.00 1.45 C ATOM 748 OE1 GLU A 755 7.071 -17.587 2.561 1.00 64.52 O ATOM 749 OE2 GLU A 755 5.385 -18.901 3.047 1.00 44.12 O ATOM 0 H GLU A 755 5.035 -21.542 -1.214 1.00 43.53 H new ATOM 0 HA GLU A 755 4.637 -19.286 0.629 1.00 54.01 H new ATOM 0 HB2 GLU A 755 7.252 -20.307 -0.479 1.00 24.44 H new ATOM 0 HB3 GLU A 755 7.032 -18.589 -0.214 1.00 24.44 H new ATOM 0 HG2 GLU A 755 6.695 -20.729 1.915 1.00 63.40 H new ATOM 0 HG3 GLU A 755 8.136 -19.758 1.688 1.00 63.40 H new ATOM 756 N PRO A 756 3.563 -18.695 -1.701 1.00 44.55 N ATOM 757 CA PRO A 756 3.109 -17.941 -2.867 1.00 54.14 C ATOM 758 C PRO A 756 3.434 -16.458 -2.741 1.00 74.10 C ATOM 759 O PRO A 756 2.896 -15.767 -1.880 1.00 1.05 O ATOM 760 CB PRO A 756 1.596 -18.168 -2.874 1.00 23.11 C ATOM 761 CG PRO A 756 1.241 -18.451 -1.455 1.00 12.22 C ATOM 762 CD PRO A 756 2.441 -19.114 -0.839 1.00 41.25 C ATOM 0 HA PRO A 756 3.597 -18.265 -3.786 1.00 54.14 H new ATOM 0 HB2 PRO A 756 1.067 -17.290 -3.245 1.00 23.11 H new ATOM 0 HB3 PRO A 756 1.325 -19.001 -3.522 1.00 23.11 H new ATOM 0 HG2 PRO A 756 0.992 -17.531 -0.926 1.00 12.22 H new ATOM 0 HG3 PRO A 756 0.367 -19.099 -1.396 1.00 12.22 H new ATOM 0 HD2 PRO A 756 2.589 -18.793 0.192 1.00 41.25 H new ATOM 0 HD3 PRO A 756 2.333 -20.199 -0.823 1.00 41.25 H new ATOM 770 N LYS A 757 4.321 -15.976 -3.592 1.00 62.14 N ATOM 771 CA LYS A 757 4.744 -14.591 -3.543 1.00 62.33 C ATOM 772 C LYS A 757 3.832 -13.720 -4.391 1.00 30.04 C ATOM 773 O LYS A 757 3.793 -13.849 -5.614 1.00 64.13 O ATOM 774 CB LYS A 757 6.190 -14.450 -4.020 1.00 30.25 C ATOM 775 CG LYS A 757 6.725 -13.030 -3.930 1.00 71.25 C ATOM 776 CD LYS A 757 8.175 -12.924 -4.392 1.00 42.54 C ATOM 777 CE LYS A 757 8.308 -12.905 -5.912 1.00 42.02 C ATOM 778 NZ LYS A 757 7.944 -14.203 -6.545 1.00 12.31 N ATOM 0 H LYS A 757 4.763 -16.527 -4.328 1.00 62.14 H new ATOM 0 HA LYS A 757 4.683 -14.258 -2.507 1.00 62.33 H new ATOM 0 HB2 LYS A 757 6.825 -15.107 -3.426 1.00 30.25 H new ATOM 0 HB3 LYS A 757 6.258 -14.790 -5.053 1.00 30.25 H new ATOM 0 HG2 LYS A 757 6.104 -12.372 -4.537 1.00 71.25 H new ATOM 0 HG3 LYS A 757 6.648 -12.680 -2.900 1.00 71.25 H new ATOM 0 HD2 LYS A 757 8.618 -12.017 -3.981 1.00 42.54 H new ATOM 0 HD3 LYS A 757 8.742 -13.765 -3.992 1.00 42.54 H new ATOM 0 HE2 LYS A 757 7.671 -12.119 -6.317 1.00 42.02 H new ATOM 0 HE3 LYS A 757 9.334 -12.653 -6.178 1.00 42.02 H new ATOM 0 HZ1 LYS A 757 8.664 -14.459 -7.251 1.00 12.31 H new ATOM 0 HZ2 LYS A 757 7.895 -14.943 -5.816 1.00 12.31 H new ATOM 0 HZ3 LYS A 757 7.018 -14.115 -7.011 1.00 12.31 H new ATOM 792 N PHE A 758 3.110 -12.837 -3.727 1.00 0.33 N ATOM 793 CA PHE A 758 2.205 -11.923 -4.395 1.00 21.51 C ATOM 794 C PHE A 758 2.864 -10.565 -4.557 1.00 24.12 C ATOM 795 O PHE A 758 3.179 -9.890 -3.575 1.00 21.43 O ATOM 796 CB PHE A 758 0.900 -11.782 -3.605 1.00 4.11 C ATOM 797 CG PHE A 758 0.154 -13.075 -3.454 1.00 52.12 C ATOM 798 CD1 PHE A 758 -0.773 -13.469 -4.403 1.00 65.31 C ATOM 799 CD2 PHE A 758 0.383 -13.897 -2.364 1.00 52.12 C ATOM 800 CE1 PHE A 758 -1.456 -14.662 -4.269 1.00 20.21 C ATOM 801 CE2 PHE A 758 -0.298 -15.088 -2.223 1.00 70.21 C ATOM 802 CZ PHE A 758 -1.218 -15.474 -3.178 1.00 41.11 C ATOM 0 H PHE A 758 3.135 -12.734 -2.713 1.00 0.33 H new ATOM 0 HA PHE A 758 1.971 -12.326 -5.380 1.00 21.51 H new ATOM 0 HB2 PHE A 758 1.124 -11.382 -2.616 1.00 4.11 H new ATOM 0 HB3 PHE A 758 0.258 -11.056 -4.104 1.00 4.11 H new ATOM 0 HD1 PHE A 758 -0.964 -12.837 -5.258 1.00 65.31 H new ATOM 0 HD2 PHE A 758 1.103 -13.602 -1.615 1.00 52.12 H new ATOM 0 HE1 PHE A 758 -2.176 -14.960 -5.017 1.00 20.21 H new ATOM 0 HE2 PHE A 758 -0.112 -15.719 -1.366 1.00 70.21 H new ATOM 0 HZ PHE A 758 -1.750 -16.408 -3.072 1.00 41.11 H new ATOM 812 N VAL A 759 3.092 -10.186 -5.800 1.00 71.10 N ATOM 813 CA VAL A 759 3.673 -8.898 -6.116 1.00 51.14 C ATOM 814 C VAL A 759 2.567 -7.865 -6.248 1.00 12.10 C ATOM 815 O VAL A 759 1.814 -7.865 -7.227 1.00 54.32 O ATOM 816 CB VAL A 759 4.491 -8.946 -7.423 1.00 21.33 C ATOM 817 CG1 VAL A 759 5.242 -7.640 -7.641 1.00 23.51 C ATOM 818 CG2 VAL A 759 5.449 -10.129 -7.414 1.00 24.41 C ATOM 0 H VAL A 759 2.880 -10.761 -6.615 1.00 71.10 H new ATOM 0 HA VAL A 759 4.350 -8.626 -5.307 1.00 51.14 H new ATOM 0 HB VAL A 759 3.798 -9.077 -8.254 1.00 21.33 H new ATOM 0 HG11 VAL A 759 5.811 -7.698 -8.569 1.00 23.51 H new ATOM 0 HG12 VAL A 759 4.530 -6.817 -7.703 1.00 23.51 H new ATOM 0 HG13 VAL A 759 5.923 -7.468 -6.807 1.00 23.51 H new ATOM 0 HG21 VAL A 759 6.016 -10.145 -8.345 1.00 24.41 H new ATOM 0 HG22 VAL A 759 6.135 -10.035 -6.572 1.00 24.41 H new ATOM 0 HG23 VAL A 759 4.882 -11.055 -7.319 1.00 24.41 H new ATOM 828 N TYR A 760 2.451 -7.013 -5.250 1.00 34.13 N ATOM 829 CA TYR A 760 1.411 -6.002 -5.230 1.00 51.42 C ATOM 830 C TYR A 760 1.997 -4.626 -5.483 1.00 33.14 C ATOM 831 O TYR A 760 3.113 -4.326 -5.056 1.00 41.04 O ATOM 832 CB TYR A 760 0.674 -6.018 -3.890 1.00 54.21 C ATOM 833 CG TYR A 760 -0.706 -6.619 -3.977 1.00 31.15 C ATOM 834 CD1 TYR A 760 -0.895 -7.993 -3.928 1.00 62.04 C ATOM 835 CD2 TYR A 760 -1.823 -5.806 -4.121 1.00 14.41 C ATOM 836 CE1 TYR A 760 -2.158 -8.540 -4.021 1.00 43.14 C ATOM 837 CE2 TYR A 760 -3.089 -6.345 -4.213 1.00 53.34 C ATOM 838 CZ TYR A 760 -3.251 -7.711 -4.163 1.00 51.22 C ATOM 839 OH TYR A 760 -4.511 -8.250 -4.262 1.00 14.12 O ATOM 0 H TYR A 760 3.067 -7.000 -4.437 1.00 34.13 H new ATOM 0 HA TYR A 760 0.701 -6.230 -6.025 1.00 51.42 H new ATOM 0 HB2 TYR A 760 1.263 -6.581 -3.166 1.00 54.21 H new ATOM 0 HB3 TYR A 760 0.596 -4.998 -3.514 1.00 54.21 H new ATOM 0 HD1 TYR A 760 -0.040 -8.644 -3.815 1.00 62.04 H new ATOM 0 HD2 TYR A 760 -1.698 -4.734 -4.162 1.00 14.41 H new ATOM 0 HE1 TYR A 760 -2.290 -9.611 -3.983 1.00 43.14 H new ATOM 0 HE2 TYR A 760 -3.948 -5.700 -4.324 1.00 53.34 H new ATOM 0 HH TYR A 760 -5.169 -7.529 -4.356 1.00 14.12 H new ATOM 849 N GLN A 761 1.241 -3.802 -6.183 1.00 12.04 N ATOM 850 CA GLN A 761 1.655 -2.443 -6.466 1.00 52.31 C ATOM 851 C GLN A 761 0.480 -1.501 -6.260 1.00 24.51 C ATOM 852 O GLN A 761 -0.613 -1.734 -6.786 1.00 2.40 O ATOM 853 CB GLN A 761 2.188 -2.339 -7.896 1.00 43.25 C ATOM 854 CG GLN A 761 2.845 -1.007 -8.217 1.00 0.21 C ATOM 855 CD GLN A 761 3.496 -1.007 -9.584 1.00 65.34 C ATOM 856 OE1 GLN A 761 3.050 -1.697 -10.499 1.00 74.32 O ATOM 857 NE2 GLN A 761 4.562 -0.237 -9.733 1.00 24.33 N ATOM 0 H GLN A 761 0.331 -4.053 -6.568 1.00 12.04 H new ATOM 0 HA GLN A 761 2.457 -2.160 -5.784 1.00 52.31 H new ATOM 0 HB2 GLN A 761 2.911 -3.138 -8.062 1.00 43.25 H new ATOM 0 HB3 GLN A 761 1.365 -2.503 -8.592 1.00 43.25 H new ATOM 0 HG2 GLN A 761 2.098 -0.215 -8.172 1.00 0.21 H new ATOM 0 HG3 GLN A 761 3.595 -0.781 -7.459 1.00 0.21 H new ATOM 0 HE21 GLN A 761 4.902 0.321 -8.950 1.00 24.33 H new ATOM 0 HE22 GLN A 761 5.044 -0.202 -10.631 1.00 24.33 H new ATOM 866 N ALA A 762 0.698 -0.459 -5.475 1.00 41.11 N ATOM 867 CA ALA A 762 -0.353 0.498 -5.179 1.00 5.35 C ATOM 868 C ALA A 762 -0.413 1.572 -6.253 1.00 3.42 C ATOM 869 O ALA A 762 0.599 2.163 -6.623 1.00 3.20 O ATOM 870 CB ALA A 762 -0.149 1.110 -3.803 1.00 34.44 C ATOM 0 H ALA A 762 1.594 -0.255 -5.032 1.00 41.11 H new ATOM 0 HA ALA A 762 -1.308 -0.027 -5.173 1.00 5.35 H new ATOM 0 HB1 ALA A 762 -0.947 1.824 -3.601 1.00 34.44 H new ATOM 0 HB2 ALA A 762 -0.166 0.323 -3.049 1.00 34.44 H new ATOM 0 HB3 ALA A 762 0.813 1.622 -3.771 1.00 34.44 H new ATOM 876 N LYS A 763 -1.603 1.798 -6.764 1.00 54.14 N ATOM 877 CA LYS A 763 -1.824 2.786 -7.797 1.00 40.44 C ATOM 878 C LYS A 763 -2.486 4.014 -7.200 1.00 43.41 C ATOM 879 O LYS A 763 -3.630 3.952 -6.753 1.00 3.32 O ATOM 880 CB LYS A 763 -2.714 2.197 -8.887 1.00 43.14 C ATOM 881 CG LYS A 763 -3.042 3.160 -10.014 1.00 62.30 C ATOM 882 CD LYS A 763 -4.223 2.656 -10.820 1.00 55.22 C ATOM 883 CE LYS A 763 -4.522 3.544 -12.012 1.00 75.03 C ATOM 884 NZ LYS A 763 -5.883 3.281 -12.550 1.00 34.44 N ATOM 0 H LYS A 763 -2.446 1.301 -6.475 1.00 54.14 H new ATOM 0 HA LYS A 763 -0.866 3.073 -8.231 1.00 40.44 H new ATOM 0 HB2 LYS A 763 -2.222 1.319 -9.306 1.00 43.14 H new ATOM 0 HB3 LYS A 763 -3.645 1.855 -8.434 1.00 43.14 H new ATOM 0 HG2 LYS A 763 -3.268 4.144 -9.604 1.00 62.30 H new ATOM 0 HG3 LYS A 763 -2.175 3.277 -10.664 1.00 62.30 H new ATOM 0 HD2 LYS A 763 -4.019 1.643 -11.166 1.00 55.22 H new ATOM 0 HD3 LYS A 763 -5.103 2.603 -10.179 1.00 55.22 H new ATOM 0 HE2 LYS A 763 -4.440 4.591 -11.719 1.00 75.03 H new ATOM 0 HE3 LYS A 763 -3.780 3.372 -12.792 1.00 75.03 H new ATOM 0 HZ1 LYS A 763 -6.060 3.903 -13.365 1.00 34.44 H new ATOM 0 HZ2 LYS A 763 -5.951 2.288 -12.851 1.00 34.44 H new ATOM 0 HZ3 LYS A 763 -6.591 3.468 -11.811 1.00 34.44 H new ATOM 898 N VAL A 764 -1.767 5.117 -7.167 1.00 41.43 N ATOM 899 CA VAL A 764 -2.318 6.358 -6.661 1.00 53.22 C ATOM 900 C VAL A 764 -2.301 7.411 -7.755 1.00 24.44 C ATOM 901 O VAL A 764 -1.281 8.057 -8.003 1.00 34.52 O ATOM 902 CB VAL A 764 -1.553 6.855 -5.415 1.00 33.14 C ATOM 903 CG1 VAL A 764 -2.147 8.154 -4.889 1.00 2.43 C ATOM 904 CG2 VAL A 764 -1.570 5.785 -4.334 1.00 41.43 C ATOM 0 H VAL A 764 -0.800 5.180 -7.484 1.00 41.43 H new ATOM 0 HA VAL A 764 -3.348 6.174 -6.356 1.00 53.22 H new ATOM 0 HB VAL A 764 -0.520 7.053 -5.702 1.00 33.14 H new ATOM 0 HG11 VAL A 764 -1.589 8.480 -4.012 1.00 2.43 H new ATOM 0 HG12 VAL A 764 -2.089 8.920 -5.662 1.00 2.43 H new ATOM 0 HG13 VAL A 764 -3.190 7.993 -4.616 1.00 2.43 H new ATOM 0 HG21 VAL A 764 -1.028 6.143 -3.459 1.00 41.43 H new ATOM 0 HG22 VAL A 764 -2.601 5.564 -4.057 1.00 41.43 H new ATOM 0 HG23 VAL A 764 -1.093 4.880 -4.710 1.00 41.43 H new ATOM 914 N GLY A 765 -3.429 7.547 -8.433 1.00 33.11 N ATOM 915 CA GLY A 765 -3.508 8.441 -9.568 1.00 0.40 C ATOM 916 C GLY A 765 -2.767 7.874 -10.761 1.00 43.41 C ATOM 917 O GLY A 765 -3.134 6.819 -11.283 1.00 52.14 O ATOM 0 H GLY A 765 -4.294 7.052 -8.217 1.00 33.11 H new ATOM 0 HA2 GLY A 765 -4.552 8.609 -9.831 1.00 0.40 H new ATOM 0 HA3 GLY A 765 -3.087 9.410 -9.301 1.00 0.40 H new ATOM 921 N GLY A 766 -1.724 8.564 -11.188 1.00 32.42 N ATOM 922 CA GLY A 766 -0.895 8.063 -12.266 1.00 60.34 C ATOM 923 C GLY A 766 0.388 7.449 -11.750 1.00 13.55 C ATOM 924 O GLY A 766 1.188 6.918 -12.516 1.00 4.03 O ATOM 0 H GLY A 766 -1.434 9.465 -10.808 1.00 32.42 H new ATOM 0 HA2 GLY A 766 -1.451 7.318 -12.836 1.00 60.34 H new ATOM 0 HA3 GLY A 766 -0.658 8.877 -12.951 1.00 60.34 H new ATOM 928 N ARG A 767 0.577 7.519 -10.442 1.00 22.14 N ATOM 929 CA ARG A 767 1.781 7.011 -9.808 1.00 71.51 C ATOM 930 C ARG A 767 1.584 5.589 -9.296 1.00 44.11 C ATOM 931 O ARG A 767 0.692 5.324 -8.492 1.00 23.44 O ATOM 932 CB ARG A 767 2.188 7.933 -8.658 1.00 72.53 C ATOM 933 CG ARG A 767 2.981 9.152 -9.099 1.00 12.52 C ATOM 934 CD ARG A 767 4.481 8.903 -9.013 1.00 41.12 C ATOM 935 NE ARG A 767 4.886 7.688 -9.715 1.00 40.51 N ATOM 936 CZ ARG A 767 5.830 6.853 -9.280 1.00 1.33 C ATOM 937 NH1 ARG A 767 6.562 7.161 -8.213 1.00 5.23 N ATOM 938 NH2 ARG A 767 6.066 5.727 -9.933 1.00 12.02 N ATOM 0 H ARG A 767 -0.096 7.927 -9.794 1.00 22.14 H new ATOM 0 HA ARG A 767 2.574 6.988 -10.555 1.00 71.51 H new ATOM 0 HB2 ARG A 767 1.291 8.265 -8.136 1.00 72.53 H new ATOM 0 HB3 ARG A 767 2.782 7.365 -7.942 1.00 72.53 H new ATOM 0 HG2 ARG A 767 2.712 9.411 -10.123 1.00 12.52 H new ATOM 0 HG3 ARG A 767 2.716 10.005 -8.474 1.00 12.52 H new ATOM 0 HD2 ARG A 767 5.013 9.756 -9.434 1.00 41.12 H new ATOM 0 HD3 ARG A 767 4.775 8.829 -7.966 1.00 41.12 H new ATOM 0 HE ARG A 767 4.417 7.464 -10.593 1.00 40.51 H new ATOM 0 HH11 ARG A 767 6.403 8.041 -7.722 1.00 5.23 H new ATOM 0 HH12 ARG A 767 7.282 6.517 -7.886 1.00 5.23 H new ATOM 0 HH21 ARG A 767 5.526 5.499 -10.768 1.00 12.02 H new ATOM 0 HH22 ARG A 767 6.788 5.087 -9.602 1.00 12.02 H new ATOM 952 N TRP A 768 2.419 4.677 -9.780 1.00 12.33 N ATOM 953 CA TRP A 768 2.390 3.291 -9.338 1.00 65.23 C ATOM 954 C TRP A 768 3.525 3.032 -8.355 1.00 73.15 C ATOM 955 O TRP A 768 4.688 2.936 -8.749 1.00 21.10 O ATOM 956 CB TRP A 768 2.522 2.342 -10.532 1.00 25.15 C ATOM 957 CG TRP A 768 1.450 2.516 -11.563 1.00 31.41 C ATOM 958 CD1 TRP A 768 1.413 3.455 -12.552 1.00 21.01 C ATOM 959 CD2 TRP A 768 0.270 1.725 -11.713 1.00 64.13 C ATOM 960 NE1 TRP A 768 0.275 3.302 -13.301 1.00 64.31 N ATOM 961 CE2 TRP A 768 -0.444 2.247 -12.809 1.00 43.44 C ATOM 962 CE3 TRP A 768 -0.258 0.627 -11.027 1.00 11.33 C ATOM 963 CZ2 TRP A 768 -1.655 1.708 -13.233 1.00 75.24 C ATOM 964 CZ3 TRP A 768 -1.459 0.095 -11.452 1.00 25.05 C ATOM 965 CH2 TRP A 768 -2.145 0.635 -12.545 1.00 62.44 C ATOM 0 H TRP A 768 3.129 4.877 -10.484 1.00 12.33 H new ATOM 0 HA TRP A 768 1.435 3.108 -8.846 1.00 65.23 H new ATOM 0 HB2 TRP A 768 3.493 2.497 -11.002 1.00 25.15 H new ATOM 0 HB3 TRP A 768 2.503 1.314 -10.171 1.00 25.15 H new ATOM 0 HD1 TRP A 768 2.169 4.208 -12.720 1.00 21.01 H new ATOM 0 HE1 TRP A 768 0.007 3.881 -14.097 1.00 64.31 H new ATOM 0 HE3 TRP A 768 0.263 0.203 -10.181 1.00 11.33 H new ATOM 0 HZ2 TRP A 768 -2.188 2.123 -14.076 1.00 75.24 H new ATOM 0 HZ3 TRP A 768 -1.877 -0.754 -10.931 1.00 25.05 H new ATOM 0 HH2 TRP A 768 -3.082 0.194 -12.851 1.00 62.44 H new ATOM 976 N PHE A 769 3.186 2.929 -7.082 1.00 35.43 N ATOM 977 CA PHE A 769 4.175 2.725 -6.034 1.00 21.10 C ATOM 978 C PHE A 769 3.479 2.361 -4.729 1.00 74.23 C ATOM 979 O PHE A 769 2.388 2.852 -4.445 1.00 1.34 O ATOM 980 CB PHE A 769 5.034 3.987 -5.835 1.00 3.32 C ATOM 981 CG PHE A 769 4.287 5.150 -5.237 1.00 62.53 C ATOM 982 CD1 PHE A 769 3.543 6.002 -6.035 1.00 54.22 C ATOM 983 CD2 PHE A 769 4.328 5.388 -3.871 1.00 60.11 C ATOM 984 CE1 PHE A 769 2.854 7.066 -5.486 1.00 43.22 C ATOM 985 CE2 PHE A 769 3.640 6.450 -3.317 1.00 41.42 C ATOM 986 CZ PHE A 769 2.901 7.289 -4.125 1.00 51.41 C ATOM 0 H PHE A 769 2.225 2.984 -6.745 1.00 35.43 H new ATOM 0 HA PHE A 769 4.831 1.908 -6.335 1.00 21.10 H new ATOM 0 HB2 PHE A 769 5.878 3.741 -5.191 1.00 3.32 H new ATOM 0 HB3 PHE A 769 5.445 4.289 -6.798 1.00 3.32 H new ATOM 0 HD1 PHE A 769 3.501 5.833 -7.101 1.00 54.22 H new ATOM 0 HD2 PHE A 769 4.905 4.735 -3.233 1.00 60.11 H new ATOM 0 HE1 PHE A 769 2.279 7.723 -6.122 1.00 43.22 H new ATOM 0 HE2 PHE A 769 3.681 6.623 -2.252 1.00 41.42 H new ATOM 0 HZ PHE A 769 2.360 8.118 -3.693 1.00 51.41 H new ATOM 996 N PRO A 770 4.092 1.495 -3.921 1.00 51.02 N ATOM 997 CA PRO A 770 5.347 0.842 -4.243 1.00 3.54 C ATOM 998 C PRO A 770 5.139 -0.560 -4.805 1.00 33.02 C ATOM 999 O PRO A 770 4.005 -0.997 -5.011 1.00 43.31 O ATOM 1000 CB PRO A 770 6.009 0.771 -2.873 1.00 33.32 C ATOM 1001 CG PRO A 770 4.875 0.572 -1.918 1.00 53.33 C ATOM 1002 CD PRO A 770 3.625 1.098 -2.590 1.00 14.30 C ATOM 0 HA PRO A 770 5.922 1.366 -5.007 1.00 3.54 H new ATOM 0 HB2 PRO A 770 6.722 -0.052 -2.819 1.00 33.32 H new ATOM 0 HB3 PRO A 770 6.559 1.685 -2.650 1.00 33.32 H new ATOM 0 HG2 PRO A 770 4.763 -0.483 -1.669 1.00 53.33 H new ATOM 0 HG3 PRO A 770 5.061 1.102 -0.984 1.00 53.33 H new ATOM 0 HD2 PRO A 770 2.849 0.334 -2.648 1.00 14.30 H new ATOM 0 HD3 PRO A 770 3.201 1.942 -2.045 1.00 14.30 H new ATOM 1010 N ALA A 771 6.235 -1.257 -5.052 1.00 23.12 N ATOM 1011 CA ALA A 771 6.179 -2.645 -5.473 1.00 32.42 C ATOM 1012 C ALA A 771 6.606 -3.546 -4.321 1.00 42.04 C ATOM 1013 O ALA A 771 7.778 -3.562 -3.936 1.00 50.20 O ATOM 1014 CB ALA A 771 7.062 -2.870 -6.691 1.00 42.20 C ATOM 0 H ALA A 771 7.179 -0.881 -4.967 1.00 23.12 H new ATOM 0 HA ALA A 771 5.155 -2.892 -5.753 1.00 32.42 H new ATOM 0 HB1 ALA A 771 7.007 -3.916 -6.992 1.00 42.20 H new ATOM 0 HB2 ALA A 771 6.719 -2.238 -7.510 1.00 42.20 H new ATOM 0 HB3 ALA A 771 8.093 -2.617 -6.445 1.00 42.20 H new ATOM 1020 N VAL A 772 5.654 -4.267 -3.755 1.00 11.14 N ATOM 1021 CA VAL A 772 5.930 -5.116 -2.604 1.00 15.50 C ATOM 1022 C VAL A 772 5.667 -6.579 -2.930 1.00 4.21 C ATOM 1023 O VAL A 772 4.887 -6.898 -3.829 1.00 61.31 O ATOM 1024 CB VAL A 772 5.089 -4.709 -1.375 1.00 43.12 C ATOM 1025 CG1 VAL A 772 5.431 -3.293 -0.932 1.00 64.54 C ATOM 1026 CG2 VAL A 772 3.603 -4.831 -1.672 1.00 70.31 C ATOM 0 H VAL A 772 4.684 -4.283 -4.071 1.00 11.14 H new ATOM 0 HA VAL A 772 6.984 -4.982 -2.362 1.00 15.50 H new ATOM 0 HB VAL A 772 5.331 -5.391 -0.560 1.00 43.12 H new ATOM 0 HG11 VAL A 772 4.827 -3.027 -0.065 1.00 64.54 H new ATOM 0 HG12 VAL A 772 6.487 -3.239 -0.668 1.00 64.54 H new ATOM 0 HG13 VAL A 772 5.224 -2.597 -1.745 1.00 64.54 H new ATOM 0 HG21 VAL A 772 3.031 -4.539 -0.791 1.00 70.31 H new ATOM 0 HG22 VAL A 772 3.344 -4.179 -2.506 1.00 70.31 H new ATOM 0 HG23 VAL A 772 3.367 -5.863 -1.932 1.00 70.31 H new ATOM 1036 N CYS A 773 6.319 -7.464 -2.197 1.00 33.32 N ATOM 1037 CA CYS A 773 6.147 -8.890 -2.393 1.00 30.02 C ATOM 1038 C CYS A 773 5.863 -9.580 -1.063 1.00 31.04 C ATOM 1039 O CYS A 773 6.711 -9.616 -0.169 1.00 44.33 O ATOM 1040 CB CYS A 773 7.388 -9.485 -3.065 1.00 65.02 C ATOM 1041 SG CYS A 773 8.956 -9.013 -2.292 1.00 12.43 S ATOM 0 H CYS A 773 6.976 -7.217 -1.457 1.00 33.32 H new ATOM 0 HA CYS A 773 5.291 -9.054 -3.048 1.00 30.02 H new ATOM 0 HB2 CYS A 773 7.305 -10.572 -3.056 1.00 65.02 H new ATOM 0 HB3 CYS A 773 7.404 -9.175 -4.110 1.00 65.02 H new ATOM 0 HG CYS A 773 8.816 -9.000 -1.000 1.00 12.43 H new ATOM 1047 N ALA A 774 4.655 -10.095 -0.929 1.00 2.01 N ATOM 1048 CA ALA A 774 4.252 -10.809 0.274 1.00 64.34 C ATOM 1049 C ALA A 774 3.937 -12.257 -0.068 1.00 1.01 C ATOM 1050 O ALA A 774 4.069 -12.662 -1.218 1.00 4.51 O ATOM 1051 CB ALA A 774 3.045 -10.131 0.907 1.00 22.32 C ATOM 0 H ALA A 774 3.929 -10.033 -1.643 1.00 2.01 H new ATOM 0 HA ALA A 774 5.071 -10.791 0.993 1.00 64.34 H new ATOM 0 HB1 ALA A 774 2.753 -10.674 1.806 1.00 22.32 H new ATOM 0 HB2 ALA A 774 3.301 -9.105 1.170 1.00 22.32 H new ATOM 0 HB3 ALA A 774 2.216 -10.128 0.199 1.00 22.32 H new ATOM 1057 N HIS A 775 3.521 -13.040 0.917 1.00 64.21 N ATOM 1058 CA HIS A 775 3.134 -14.424 0.657 1.00 14.13 C ATOM 1059 C HIS A 775 1.693 -14.659 1.097 1.00 41.41 C ATOM 1060 O HIS A 775 1.252 -15.791 1.294 1.00 63.41 O ATOM 1061 CB HIS A 775 4.104 -15.427 1.308 1.00 65.11 C ATOM 1062 CG HIS A 775 4.187 -15.378 2.803 1.00 1.32 C ATOM 1063 ND1 HIS A 775 3.845 -16.440 3.602 1.00 63.44 N ATOM 1064 CD2 HIS A 775 4.626 -14.410 3.637 1.00 23.14 C ATOM 1065 CE1 HIS A 775 4.072 -16.131 4.861 1.00 54.41 C ATOM 1066 NE2 HIS A 775 4.548 -14.903 4.915 1.00 53.30 N ATOM 0 H HIS A 775 3.442 -12.749 1.891 1.00 64.21 H new ATOM 0 HA HIS A 775 3.194 -14.596 -0.418 1.00 14.13 H new ATOM 0 HB2 HIS A 775 3.808 -16.434 1.012 1.00 65.11 H new ATOM 0 HB3 HIS A 775 5.101 -15.255 0.902 1.00 65.11 H new ATOM 0 HD2 HIS A 775 4.974 -13.429 3.350 1.00 23.14 H new ATOM 0 HE1 HIS A 775 3.897 -16.776 5.709 1.00 54.41 H new ATOM 0 HE2 HIS A 775 4.814 -14.404 5.764 1.00 53.30 H new ATOM 1075 N SER A 776 0.968 -13.560 1.237 1.00 3.22 N ATOM 1076 CA SER A 776 -0.464 -13.582 1.481 1.00 15.14 C ATOM 1077 C SER A 776 -1.082 -12.346 0.834 1.00 34.23 C ATOM 1078 O SER A 776 -0.498 -11.262 0.891 1.00 53.31 O ATOM 1079 CB SER A 776 -0.755 -13.613 2.984 1.00 73.42 C ATOM 1080 OG SER A 776 -0.152 -14.744 3.593 1.00 23.33 O ATOM 0 H SER A 776 1.361 -12.620 1.184 1.00 3.22 H new ATOM 0 HA SER A 776 -0.900 -14.481 1.046 1.00 15.14 H new ATOM 0 HB2 SER A 776 -0.381 -12.701 3.450 1.00 73.42 H new ATOM 0 HB3 SER A 776 -1.832 -13.637 3.150 1.00 73.42 H new ATOM 0 HG SER A 776 -0.349 -14.743 4.553 1.00 23.33 H new ATOM 1086 N LYS A 777 -2.241 -12.511 0.209 1.00 12.31 N ATOM 1087 CA LYS A 777 -2.849 -11.439 -0.574 1.00 23.35 C ATOM 1088 C LYS A 777 -3.163 -10.223 0.299 1.00 51.50 C ATOM 1089 O LYS A 777 -2.873 -9.087 -0.085 1.00 65.13 O ATOM 1090 CB LYS A 777 -4.115 -11.948 -1.280 1.00 63.01 C ATOM 1091 CG LYS A 777 -4.659 -10.995 -2.341 1.00 12.51 C ATOM 1092 CD LYS A 777 -5.617 -9.965 -1.760 1.00 1.33 C ATOM 1093 CE LYS A 777 -6.977 -10.569 -1.456 1.00 30.42 C ATOM 1094 NZ LYS A 777 -7.657 -11.045 -2.690 1.00 60.55 N ATOM 0 H LYS A 777 -2.780 -13.377 0.228 1.00 12.31 H new ATOM 0 HA LYS A 777 -2.132 -11.123 -1.331 1.00 23.35 H new ATOM 0 HB2 LYS A 777 -3.897 -12.909 -1.746 1.00 63.01 H new ATOM 0 HB3 LYS A 777 -4.889 -12.124 -0.533 1.00 63.01 H new ATOM 0 HG2 LYS A 777 -3.828 -10.482 -2.825 1.00 12.51 H new ATOM 0 HG3 LYS A 777 -5.172 -11.569 -3.113 1.00 12.51 H new ATOM 0 HD2 LYS A 777 -5.192 -9.548 -0.847 1.00 1.33 H new ATOM 0 HD3 LYS A 777 -5.734 -9.140 -2.463 1.00 1.33 H new ATOM 0 HE2 LYS A 777 -6.858 -11.401 -0.762 1.00 30.42 H new ATOM 0 HE3 LYS A 777 -7.602 -9.827 -0.960 1.00 30.42 H new ATOM 0 HZ1 LYS A 777 -8.678 -11.132 -2.512 1.00 60.55 H new ATOM 0 HZ2 LYS A 777 -7.496 -10.364 -3.460 1.00 60.55 H new ATOM 0 HZ3 LYS A 777 -7.273 -11.972 -2.962 1.00 60.55 H new ATOM 1108 N LYS A 778 -3.735 -10.460 1.475 1.00 44.20 N ATOM 1109 CA LYS A 778 -4.085 -9.367 2.377 1.00 23.20 C ATOM 1110 C LYS A 778 -2.832 -8.642 2.862 1.00 21.43 C ATOM 1111 O LYS A 778 -2.856 -7.434 3.097 1.00 60.15 O ATOM 1112 CB LYS A 778 -4.905 -9.872 3.570 1.00 44.33 C ATOM 1113 CG LYS A 778 -4.170 -10.858 4.466 1.00 21.24 C ATOM 1114 CD LYS A 778 -4.996 -11.208 5.691 1.00 43.40 C ATOM 1115 CE LYS A 778 -4.266 -12.185 6.596 1.00 50.13 C ATOM 1116 NZ LYS A 778 -5.022 -12.445 7.850 1.00 21.10 N ATOM 0 H LYS A 778 -3.965 -11.390 1.824 1.00 44.20 H new ATOM 0 HA LYS A 778 -4.700 -8.661 1.818 1.00 23.20 H new ATOM 0 HB2 LYS A 778 -5.216 -9.017 4.170 1.00 44.33 H new ATOM 0 HB3 LYS A 778 -5.813 -10.346 3.197 1.00 44.33 H new ATOM 0 HG2 LYS A 778 -3.944 -11.765 3.905 1.00 21.24 H new ATOM 0 HG3 LYS A 778 -3.217 -10.430 4.777 1.00 21.24 H new ATOM 0 HD2 LYS A 778 -5.227 -10.299 6.247 1.00 43.40 H new ATOM 0 HD3 LYS A 778 -5.946 -11.641 5.378 1.00 43.40 H new ATOM 0 HE2 LYS A 778 -4.108 -13.124 6.065 1.00 50.13 H new ATOM 0 HE3 LYS A 778 -3.281 -11.788 6.841 1.00 50.13 H new ATOM 0 HZ1 LYS A 778 -4.492 -13.116 8.442 1.00 21.10 H new ATOM 0 HZ2 LYS A 778 -5.151 -11.553 8.369 1.00 21.10 H new ATOM 0 HZ3 LYS A 778 -5.952 -12.848 7.617 1.00 21.10 H new ATOM 1130 N GLN A 779 -1.733 -9.381 2.987 1.00 72.44 N ATOM 1131 CA GLN A 779 -0.465 -8.792 3.397 1.00 34.43 C ATOM 1132 C GLN A 779 0.111 -7.945 2.275 1.00 34.23 C ATOM 1133 O GLN A 779 0.721 -6.910 2.524 1.00 2.34 O ATOM 1134 CB GLN A 779 0.539 -9.870 3.808 1.00 64.01 C ATOM 1135 CG GLN A 779 0.205 -10.550 5.124 1.00 75.23 C ATOM 1136 CD GLN A 779 0.263 -9.602 6.309 1.00 71.11 C ATOM 1137 OE1 GLN A 779 1.014 -8.624 6.304 1.00 63.23 O ATOM 1138 NE2 GLN A 779 -0.505 -9.902 7.341 1.00 15.04 N ATOM 0 H GLN A 779 -1.696 -10.385 2.811 1.00 72.44 H new ATOM 0 HA GLN A 779 -0.655 -8.157 4.262 1.00 34.43 H new ATOM 0 HB2 GLN A 779 0.590 -10.624 3.023 1.00 64.01 H new ATOM 0 HB3 GLN A 779 1.529 -9.421 3.883 1.00 64.01 H new ATOM 0 HG2 GLN A 779 -0.793 -10.984 5.060 1.00 75.23 H new ATOM 0 HG3 GLN A 779 0.900 -11.373 5.289 1.00 75.23 H new ATOM 0 HE21 GLN A 779 -1.112 -10.721 7.304 1.00 15.04 H new ATOM 0 HE22 GLN A 779 -0.491 -9.315 8.175 1.00 15.04 H new ATOM 1147 N GLY A 780 -0.093 -8.387 1.038 1.00 45.31 N ATOM 1148 CA GLY A 780 0.340 -7.614 -0.110 1.00 20.42 C ATOM 1149 C GLY A 780 -0.320 -6.254 -0.143 1.00 21.11 C ATOM 1150 O GLY A 780 0.331 -5.244 -0.405 1.00 25.35 O ATOM 0 H GLY A 780 -0.552 -9.269 0.811 1.00 45.31 H new ATOM 0 HA2 GLY A 780 1.423 -7.493 -0.081 1.00 20.42 H new ATOM 0 HA3 GLY A 780 0.104 -8.157 -1.025 1.00 20.42 H new ATOM 1154 N LYS A 781 -1.616 -6.236 0.143 1.00 11.31 N ATOM 1155 CA LYS A 781 -2.370 -4.989 0.233 1.00 70.24 C ATOM 1156 C LYS A 781 -1.806 -4.103 1.338 1.00 3.22 C ATOM 1157 O LYS A 781 -1.553 -2.915 1.128 1.00 72.54 O ATOM 1158 CB LYS A 781 -3.846 -5.274 0.517 1.00 62.21 C ATOM 1159 CG LYS A 781 -4.544 -6.088 -0.561 1.00 43.21 C ATOM 1160 CD LYS A 781 -5.950 -6.483 -0.130 1.00 70.42 C ATOM 1161 CE LYS A 781 -6.839 -5.266 0.095 1.00 33.04 C ATOM 1162 NZ LYS A 781 -7.198 -4.592 -1.181 1.00 61.34 N ATOM 0 H LYS A 781 -2.170 -7.074 0.318 1.00 11.31 H new ATOM 0 HA LYS A 781 -2.282 -4.472 -0.723 1.00 70.24 H new ATOM 0 HB2 LYS A 781 -3.926 -5.805 1.466 1.00 62.21 H new ATOM 0 HB3 LYS A 781 -4.371 -4.326 0.637 1.00 62.21 H new ATOM 0 HG2 LYS A 781 -4.593 -5.509 -1.483 1.00 43.21 H new ATOM 0 HG3 LYS A 781 -3.962 -6.984 -0.778 1.00 43.21 H new ATOM 0 HD2 LYS A 781 -6.397 -7.123 -0.891 1.00 70.42 H new ATOM 0 HD3 LYS A 781 -5.897 -7.069 0.788 1.00 70.42 H new ATOM 0 HE2 LYS A 781 -7.749 -5.573 0.611 1.00 33.04 H new ATOM 0 HE3 LYS A 781 -6.326 -4.558 0.746 1.00 33.04 H new ATOM 0 HZ1 LYS A 781 -7.817 -3.780 -0.983 1.00 61.34 H new ATOM 0 HZ2 LYS A 781 -6.333 -4.261 -1.654 1.00 61.34 H new ATOM 0 HZ3 LYS A 781 -7.696 -5.263 -1.800 1.00 61.34 H new ATOM 1176 N GLN A 782 -1.612 -4.694 2.515 1.00 42.55 N ATOM 1177 CA GLN A 782 -1.097 -3.965 3.667 1.00 72.13 C ATOM 1178 C GLN A 782 0.297 -3.419 3.396 1.00 71.51 C ATOM 1179 O GLN A 782 0.545 -2.237 3.593 1.00 1.32 O ATOM 1180 CB GLN A 782 -1.074 -4.855 4.910 1.00 10.13 C ATOM 1181 CG GLN A 782 -2.454 -5.253 5.405 1.00 10.23 C ATOM 1182 CD GLN A 782 -2.399 -6.104 6.659 1.00 13.42 C ATOM 1183 OE1 GLN A 782 -1.484 -5.979 7.471 1.00 63.31 O ATOM 1184 NE2 GLN A 782 -3.385 -6.969 6.833 1.00 43.04 N ATOM 0 H GLN A 782 -1.805 -5.679 2.694 1.00 42.55 H new ATOM 0 HA GLN A 782 -1.768 -3.125 3.848 1.00 72.13 H new ATOM 0 HB2 GLN A 782 -0.503 -5.757 4.689 1.00 10.13 H new ATOM 0 HB3 GLN A 782 -0.548 -4.333 5.709 1.00 10.13 H new ATOM 0 HG2 GLN A 782 -3.038 -4.354 5.605 1.00 10.23 H new ATOM 0 HG3 GLN A 782 -2.974 -5.802 4.620 1.00 10.23 H new ATOM 0 HE21 GLN A 782 -4.127 -7.044 6.137 1.00 43.04 H new ATOM 0 HE22 GLN A 782 -3.403 -7.561 7.663 1.00 43.04 H new ATOM 1193 N GLU A 783 1.196 -4.285 2.936 1.00 40.23 N ATOM 1194 CA GLU A 783 2.572 -3.890 2.640 1.00 60.54 C ATOM 1195 C GLU A 783 2.620 -2.768 1.612 1.00 40.22 C ATOM 1196 O GLU A 783 3.381 -1.813 1.764 1.00 41.14 O ATOM 1197 CB GLU A 783 3.379 -5.090 2.139 1.00 22.20 C ATOM 1198 CG GLU A 783 3.814 -6.031 3.247 1.00 14.44 C ATOM 1199 CD GLU A 783 4.812 -5.387 4.185 1.00 34.34 C ATOM 1200 OE1 GLU A 783 4.388 -4.738 5.166 1.00 12.33 O ATOM 1201 OE2 GLU A 783 6.032 -5.522 3.944 1.00 32.51 O ATOM 0 H GLU A 783 0.996 -5.269 2.759 1.00 40.23 H new ATOM 0 HA GLU A 783 3.015 -3.523 3.566 1.00 60.54 H new ATOM 0 HB2 GLU A 783 2.780 -5.644 1.416 1.00 22.20 H new ATOM 0 HB3 GLU A 783 4.262 -4.729 1.612 1.00 22.20 H new ATOM 0 HG2 GLU A 783 2.940 -6.351 3.814 1.00 14.44 H new ATOM 0 HG3 GLU A 783 4.255 -6.926 2.809 1.00 14.44 H new ATOM 1208 N ALA A 784 1.803 -2.886 0.571 1.00 20.22 N ATOM 1209 CA ALA A 784 1.745 -1.869 -0.468 1.00 64.21 C ATOM 1210 C ALA A 784 1.338 -0.526 0.119 1.00 25.53 C ATOM 1211 O ALA A 784 2.007 0.480 -0.092 1.00 34.22 O ATOM 1212 CB ALA A 784 0.780 -2.282 -1.569 1.00 44.21 C ATOM 0 H ALA A 784 1.173 -3.675 0.426 1.00 20.22 H new ATOM 0 HA ALA A 784 2.740 -1.768 -0.902 1.00 64.21 H new ATOM 0 HB1 ALA A 784 0.751 -1.508 -2.336 1.00 44.21 H new ATOM 0 HB2 ALA A 784 1.114 -3.220 -2.012 1.00 44.21 H new ATOM 0 HB3 ALA A 784 -0.217 -2.414 -1.148 1.00 44.21 H new ATOM 1218 N ALA A 785 0.255 -0.522 0.879 1.00 25.04 N ATOM 1219 CA ALA A 785 -0.252 0.702 1.475 1.00 54.14 C ATOM 1220 C ALA A 785 0.708 1.234 2.531 1.00 2.43 C ATOM 1221 O ALA A 785 0.972 2.433 2.595 1.00 31.01 O ATOM 1222 CB ALA A 785 -1.621 0.453 2.077 1.00 25.03 C ATOM 0 H ALA A 785 -0.291 -1.355 1.098 1.00 25.04 H new ATOM 0 HA ALA A 785 -0.340 1.457 0.694 1.00 54.14 H new ATOM 0 HB1 ALA A 785 -1.996 1.375 2.522 1.00 25.03 H new ATOM 0 HB2 ALA A 785 -2.307 0.122 1.297 1.00 25.03 H new ATOM 0 HB3 ALA A 785 -1.546 -0.317 2.845 1.00 25.03 H new ATOM 1228 N ASP A 786 1.237 0.328 3.346 1.00 11.44 N ATOM 1229 CA ASP A 786 2.163 0.682 4.418 1.00 40.23 C ATOM 1230 C ASP A 786 3.396 1.377 3.857 1.00 13.22 C ATOM 1231 O ASP A 786 3.765 2.465 4.301 1.00 31.41 O ATOM 1232 CB ASP A 786 2.574 -0.578 5.186 1.00 33.32 C ATOM 1233 CG ASP A 786 3.515 -0.295 6.341 1.00 42.14 C ATOM 1234 OD1 ASP A 786 4.730 -0.154 6.102 1.00 65.20 O ATOM 1235 OD2 ASP A 786 3.051 -0.249 7.498 1.00 21.35 O ATOM 0 H ASP A 786 1.037 -0.670 3.283 1.00 11.44 H new ATOM 0 HA ASP A 786 1.661 1.370 5.098 1.00 40.23 H new ATOM 0 HB2 ASP A 786 1.680 -1.071 5.567 1.00 33.32 H new ATOM 0 HB3 ASP A 786 3.053 -1.275 4.498 1.00 33.32 H new ATOM 1240 N ALA A 787 4.018 0.750 2.867 1.00 43.32 N ATOM 1241 CA ALA A 787 5.204 1.310 2.245 1.00 54.40 C ATOM 1242 C ALA A 787 4.865 2.589 1.486 1.00 24.53 C ATOM 1243 O ALA A 787 5.655 3.532 1.468 1.00 4.34 O ATOM 1244 CB ALA A 787 5.858 0.292 1.322 1.00 64.12 C ATOM 0 H ALA A 787 3.719 -0.145 2.480 1.00 43.32 H new ATOM 0 HA ALA A 787 5.914 1.562 3.032 1.00 54.40 H new ATOM 0 HB1 ALA A 787 6.745 0.732 0.866 1.00 64.12 H new ATOM 0 HB2 ALA A 787 6.144 -0.589 1.897 1.00 64.12 H new ATOM 0 HB3 ALA A 787 5.154 0.003 0.542 1.00 64.12 H new ATOM 1250 N ALA A 788 3.680 2.623 0.883 1.00 65.42 N ATOM 1251 CA ALA A 788 3.222 3.805 0.161 1.00 62.43 C ATOM 1252 C ALA A 788 3.111 5.001 1.095 1.00 33.51 C ATOM 1253 O ALA A 788 3.519 6.107 0.744 1.00 50.21 O ATOM 1254 CB ALA A 788 1.888 3.541 -0.518 1.00 34.41 C ATOM 0 H ALA A 788 3.020 1.845 0.880 1.00 65.42 H new ATOM 0 HA ALA A 788 3.961 4.035 -0.607 1.00 62.43 H new ATOM 0 HB1 ALA A 788 1.567 4.437 -1.050 1.00 34.41 H new ATOM 0 HB2 ALA A 788 1.996 2.718 -1.225 1.00 34.41 H new ATOM 0 HB3 ALA A 788 1.143 3.278 0.233 1.00 34.41 H new ATOM 1260 N LEU A 789 2.570 4.771 2.289 1.00 63.33 N ATOM 1261 CA LEU A 789 2.459 5.821 3.292 1.00 11.24 C ATOM 1262 C LEU A 789 3.837 6.369 3.626 1.00 70.12 C ATOM 1263 O LEU A 789 4.025 7.579 3.702 1.00 73.24 O ATOM 1264 CB LEU A 789 1.780 5.295 4.559 1.00 11.21 C ATOM 1265 CG LEU A 789 0.349 4.789 4.373 1.00 31.54 C ATOM 1266 CD1 LEU A 789 -0.240 4.347 5.701 1.00 62.44 C ATOM 1267 CD2 LEU A 789 -0.517 5.861 3.737 1.00 31.40 C ATOM 0 H LEU A 789 2.202 3.866 2.583 1.00 63.33 H new ATOM 0 HA LEU A 789 1.845 6.623 2.883 1.00 11.24 H new ATOM 0 HB2 LEU A 789 2.384 4.484 4.965 1.00 11.21 H new ATOM 0 HB3 LEU A 789 1.772 6.091 5.304 1.00 11.21 H new ATOM 0 HG LEU A 789 0.375 3.927 3.706 1.00 31.54 H new ATOM 0 HD11 LEU A 789 -1.258 3.991 5.547 1.00 62.44 H new ATOM 0 HD12 LEU A 789 0.366 3.543 6.118 1.00 62.44 H new ATOM 0 HD13 LEU A 789 -0.251 5.190 6.392 1.00 62.44 H new ATOM 0 HD21 LEU A 789 -1.532 5.483 3.613 1.00 31.40 H new ATOM 0 HD22 LEU A 789 -0.534 6.742 4.378 1.00 31.40 H new ATOM 0 HD23 LEU A 789 -0.108 6.129 2.763 1.00 31.40 H new ATOM 1279 N ARG A 790 4.802 5.469 3.795 1.00 42.35 N ATOM 1280 CA ARG A 790 6.179 5.853 4.061 1.00 4.34 C ATOM 1281 C ARG A 790 6.727 6.737 2.942 1.00 3.02 C ATOM 1282 O ARG A 790 7.484 7.676 3.192 1.00 20.44 O ATOM 1283 CB ARG A 790 7.034 4.604 4.203 1.00 75.20 C ATOM 1284 CG ARG A 790 6.512 3.638 5.249 1.00 32.34 C ATOM 1285 CD ARG A 790 7.295 2.349 5.223 1.00 22.11 C ATOM 1286 NE ARG A 790 6.866 1.415 6.260 1.00 62.04 N ATOM 1287 CZ ARG A 790 7.635 1.019 7.274 1.00 24.04 C ATOM 1288 NH1 ARG A 790 8.885 1.456 7.375 1.00 4.32 N ATOM 1289 NH2 ARG A 790 7.153 0.178 8.181 1.00 75.53 N ATOM 0 H ARG A 790 4.650 4.461 3.751 1.00 42.35 H new ATOM 0 HA ARG A 790 6.208 6.425 4.988 1.00 4.34 H new ATOM 0 HB2 ARG A 790 7.084 4.095 3.241 1.00 75.20 H new ATOM 0 HB3 ARG A 790 8.052 4.896 4.463 1.00 75.20 H new ATOM 0 HG2 ARG A 790 6.582 4.092 6.237 1.00 32.34 H new ATOM 0 HG3 ARG A 790 5.457 3.432 5.067 1.00 32.34 H new ATOM 0 HD2 ARG A 790 7.183 1.879 4.246 1.00 22.11 H new ATOM 0 HD3 ARG A 790 8.355 2.568 5.352 1.00 22.11 H new ATOM 0 HE ARG A 790 5.918 1.042 6.205 1.00 62.04 H new ATOM 0 HH11 ARG A 790 9.259 2.097 6.675 1.00 4.32 H new ATOM 0 HH12 ARG A 790 9.471 1.151 8.152 1.00 4.32 H new ATOM 0 HH21 ARG A 790 6.195 -0.164 8.101 1.00 75.53 H new ATOM 0 HH22 ARG A 790 7.740 -0.126 8.958 1.00 75.53 H new ATOM 1303 N VAL A 791 6.344 6.432 1.706 1.00 33.53 N ATOM 1304 CA VAL A 791 6.749 7.238 0.559 1.00 61.33 C ATOM 1305 C VAL A 791 6.131 8.628 0.647 1.00 54.05 C ATOM 1306 O VAL A 791 6.824 9.635 0.508 1.00 43.21 O ATOM 1307 CB VAL A 791 6.331 6.592 -0.779 1.00 72.43 C ATOM 1308 CG1 VAL A 791 6.825 7.418 -1.955 1.00 61.23 C ATOM 1309 CG2 VAL A 791 6.843 5.167 -0.880 1.00 20.44 C ATOM 0 H VAL A 791 5.754 5.633 1.473 1.00 33.53 H new ATOM 0 HA VAL A 791 7.837 7.305 0.585 1.00 61.33 H new ATOM 0 HB VAL A 791 5.242 6.565 -0.810 1.00 72.43 H new ATOM 0 HG11 VAL A 791 6.519 6.943 -2.887 1.00 61.23 H new ATOM 0 HG12 VAL A 791 6.399 8.420 -1.901 1.00 61.23 H new ATOM 0 HG13 VAL A 791 7.912 7.484 -1.922 1.00 61.23 H new ATOM 0 HG21 VAL A 791 6.534 4.736 -1.832 1.00 20.44 H new ATOM 0 HG22 VAL A 791 7.931 5.166 -0.817 1.00 20.44 H new ATOM 0 HG23 VAL A 791 6.432 4.574 -0.063 1.00 20.44 H new ATOM 1319 N LEU A 792 4.829 8.665 0.902 1.00 30.22 N ATOM 1320 CA LEU A 792 4.087 9.918 0.998 1.00 23.34 C ATOM 1321 C LEU A 792 4.622 10.776 2.137 1.00 52.13 C ATOM 1322 O LEU A 792 4.852 11.976 1.978 1.00 73.05 O ATOM 1323 CB LEU A 792 2.604 9.625 1.226 1.00 15.33 C ATOM 1324 CG LEU A 792 1.991 8.611 0.259 1.00 12.11 C ATOM 1325 CD1 LEU A 792 0.549 8.322 0.632 1.00 63.14 C ATOM 1326 CD2 LEU A 792 2.088 9.107 -1.176 1.00 45.43 C ATOM 0 H LEU A 792 4.259 7.832 1.048 1.00 30.22 H new ATOM 0 HA LEU A 792 4.211 10.465 0.064 1.00 23.34 H new ATOM 0 HB2 LEU A 792 2.474 9.259 2.244 1.00 15.33 H new ATOM 0 HB3 LEU A 792 2.048 10.560 1.150 1.00 15.33 H new ATOM 0 HG LEU A 792 2.556 7.682 0.335 1.00 12.11 H new ATOM 0 HD11 LEU A 792 0.130 7.599 -0.068 1.00 63.14 H new ATOM 0 HD12 LEU A 792 0.509 7.915 1.642 1.00 63.14 H new ATOM 0 HD13 LEU A 792 -0.030 9.245 0.589 1.00 63.14 H new ATOM 0 HD21 LEU A 792 1.646 8.370 -1.846 1.00 45.43 H new ATOM 0 HD22 LEU A 792 1.553 10.052 -1.271 1.00 45.43 H new ATOM 0 HD23 LEU A 792 3.135 9.255 -1.440 1.00 45.43 H new ATOM 1338 N ILE A 793 4.821 10.142 3.285 1.00 23.42 N ATOM 1339 CA ILE A 793 5.370 10.812 4.454 1.00 70.44 C ATOM 1340 C ILE A 793 6.777 11.318 4.163 1.00 43.21 C ATOM 1341 O ILE A 793 7.094 12.473 4.436 1.00 70.35 O ATOM 1342 CB ILE A 793 5.393 9.860 5.676 1.00 52.31 C ATOM 1343 CG1 ILE A 793 3.961 9.476 6.066 1.00 64.34 C ATOM 1344 CG2 ILE A 793 6.114 10.500 6.854 1.00 35.03 C ATOM 1345 CD1 ILE A 793 3.878 8.306 7.024 1.00 52.32 C ATOM 0 H ILE A 793 4.608 9.155 3.431 1.00 23.42 H new ATOM 0 HA ILE A 793 4.728 11.661 4.689 1.00 70.44 H new ATOM 0 HB ILE A 793 5.940 8.958 5.401 1.00 52.31 H new ATOM 0 HG12 ILE A 793 3.475 10.340 6.520 1.00 64.34 H new ATOM 0 HG13 ILE A 793 3.402 9.233 5.162 1.00 64.34 H new ATOM 0 HG21 ILE A 793 6.115 9.810 7.698 1.00 35.03 H new ATOM 0 HG22 ILE A 793 7.141 10.729 6.571 1.00 35.03 H new ATOM 0 HG23 ILE A 793 5.602 11.420 7.138 1.00 35.03 H new ATOM 0 HD11 ILE A 793 2.833 8.096 7.252 1.00 52.32 H new ATOM 0 HD12 ILE A 793 4.334 7.428 6.566 1.00 52.32 H new ATOM 0 HD13 ILE A 793 4.408 8.551 7.945 1.00 52.32 H new ATOM 1357 N GLY A 794 7.609 10.457 3.585 1.00 52.50 N ATOM 1358 CA GLY A 794 8.966 10.844 3.240 1.00 64.15 C ATOM 1359 C GLY A 794 9.004 11.958 2.211 1.00 71.03 C ATOM 1360 O GLY A 794 9.865 12.838 2.269 1.00 50.33 O ATOM 0 H GLY A 794 7.367 9.495 3.349 1.00 52.50 H new ATOM 0 HA2 GLY A 794 9.489 11.166 4.140 1.00 64.15 H new ATOM 0 HA3 GLY A 794 9.501 9.977 2.853 1.00 64.15 H new ATOM 1364 N GLU A 795 8.065 11.917 1.278 1.00 21.13 N ATOM 1365 CA GLU A 795 7.936 12.947 0.256 1.00 41.01 C ATOM 1366 C GLU A 795 7.747 14.317 0.901 1.00 22.23 C ATOM 1367 O GLU A 795 8.476 15.264 0.603 1.00 63.14 O ATOM 1368 CB GLU A 795 6.746 12.621 -0.654 1.00 24.12 C ATOM 1369 CG GLU A 795 6.462 13.670 -1.718 1.00 22.03 C ATOM 1370 CD GLU A 795 7.616 13.866 -2.675 1.00 4.45 C ATOM 1371 OE1 GLU A 795 7.938 12.920 -3.421 1.00 52.24 O ATOM 1372 OE2 GLU A 795 8.192 14.971 -2.699 1.00 71.33 O ATOM 0 H GLU A 795 7.372 11.172 1.207 1.00 21.13 H new ATOM 0 HA GLU A 795 8.848 12.972 -0.340 1.00 41.01 H new ATOM 0 HB2 GLU A 795 6.930 11.665 -1.144 1.00 24.12 H new ATOM 0 HB3 GLU A 795 5.856 12.497 -0.037 1.00 24.12 H new ATOM 0 HG2 GLU A 795 5.575 13.378 -2.281 1.00 22.03 H new ATOM 0 HG3 GLU A 795 6.234 14.619 -1.233 1.00 22.03 H new ATOM 1379 N ASN A 796 6.790 14.404 1.816 1.00 55.11 N ATOM 1380 CA ASN A 796 6.475 15.670 2.466 1.00 62.21 C ATOM 1381 C ASN A 796 7.373 15.890 3.681 1.00 71.02 C ATOM 1382 O ASN A 796 7.255 16.890 4.387 1.00 1.22 O ATOM 1383 CB ASN A 796 5.004 15.707 2.876 1.00 61.41 C ATOM 1384 CG ASN A 796 4.455 17.124 2.920 1.00 51.30 C ATOM 1385 OD1 ASN A 796 4.448 17.773 3.967 1.00 72.13 O ATOM 1386 ND2 ASN A 796 4.005 17.619 1.775 1.00 13.53 N ATOM 0 H ASN A 796 6.220 13.616 2.124 1.00 55.11 H new ATOM 0 HA ASN A 796 6.658 16.476 1.755 1.00 62.21 H new ATOM 0 HB2 ASN A 796 4.418 15.114 2.174 1.00 61.41 H new ATOM 0 HB3 ASN A 796 4.890 15.245 3.856 1.00 61.41 H new ATOM 0 HD21 ASN A 796 3.636 18.569 1.740 1.00 13.53 H new ATOM 0 HD22 ASN A 796 4.028 17.049 0.929 1.00 13.53 H new