USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 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 757 CYS SG : rot 176:sc= -6.25! USER MOD Set 1.2: A 760 CYS SG : rot 170:sc= -1.27 USER MOD Set 1.3: A 776 HIS : no HD1:sc= -3.17 K(o=-14,f=-18) USER MOD Set 1.4: A 780 HIS :FLIP no HD1:sc= -2.92 F(o=-14,f=-14) USER MOD Set 2.1: A 755 LYS NZ :NH3+ -172:sc= 0.0208 (180deg=0) USER MOD Set 2.2: A 770 GLN : amide:sc= -3 X(o=-3,f=-3.3) USER MOD Set 3.1: A 730 CYS SG : rot -128:sc= -4.13! USER MOD Set 3.2: A 733 CYS SG : rot -108:sc= -0.575 USER MOD Set 3.3: A 749 HIS : no HE2:sc= -3.74 K(o=-12,f=-18!) USER MOD Set 3.4: A 753 HIS : no HE2:sc= -3.05 K(o=-12,f=-15!) USER MOD Single : A 727 HIS :FLIP no HD1:sc= -2.69 F(o=-4.6!,f=-2.7) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc=-0.00227 X(o=-0.0023,f=-0.031) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.395 USER MOD Single : A 743 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.023) USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 SER OG : rot -54:sc= 1.07 USER MOD Single : A 759 MET CE :methyl -162:sc= -0.725 (180deg=-2.14) USER MOD Single : A 761 SER OG : rot 180:sc= -0.356 USER MOD Single : A 763 GLN : amide:sc= -4.78 K(o=-4.8,f=-13!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 778 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.82) USER MOD Single : A 779 THR OG1 : rot -45:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.676 3.216 -1.348 1.00 0.00 N ATOM 74 CA HIS A 727 19.637 2.758 -0.431 1.00 0.00 C ATOM 75 C HIS A 727 18.249 2.976 -1.025 1.00 0.00 C ATOM 76 O HIS A 727 18.001 3.974 -1.701 1.00 0.00 O ATOM 77 CB HIS A 727 19.753 3.489 0.909 1.00 0.00 C ATOM 78 CG HIS A 727 20.516 2.721 1.942 1.00 0.00 C ATOM 79 ND1 HIS A 727 20.814 1.404 2.023 1.00 0.00 N flip ATOM 80 CD2 HIS A 727 21.070 3.308 3.061 1.00 0.00 C flip ATOM 81 CE1 HIS A 727 21.536 1.221 3.178 1.00 0.00 C flip ATOM 82 NE2 HIS A 727 21.677 2.385 3.784 1.00 0.00 N flip ATOM 0 HA HIS A 727 19.777 1.689 -0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.240 4.451 0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.753 3.698 1.288 1.00 0.00 H new ATOM 0 HD2 HIS A 727 21.016 4.358 3.307 1.00 0.00 H new ATOM 0 HE1 HIS A 727 21.925 0.278 3.532 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.171 2.544 4.662 1.00 0.00 H new ATOM 91 N LYS A 728 17.348 2.035 -0.765 1.00 0.00 N ATOM 92 CA LYS A 728 15.983 2.123 -1.271 1.00 0.00 C ATOM 93 C LYS A 728 15.073 2.806 -0.255 1.00 0.00 C ATOM 94 O LYS A 728 14.899 2.321 0.863 1.00 0.00 O ATOM 95 CB LYS A 728 15.446 0.729 -1.596 1.00 0.00 C ATOM 96 CG LYS A 728 16.008 0.146 -2.882 1.00 0.00 C ATOM 97 CD LYS A 728 15.539 -1.285 -3.096 1.00 0.00 C ATOM 98 CE LYS A 728 15.390 -1.608 -4.575 1.00 0.00 C ATOM 99 NZ LYS A 728 16.548 -2.387 -5.092 1.00 0.00 N ATOM 0 H LYS A 728 17.538 1.203 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 728 15.997 2.720 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.679 0.057 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.360 0.776 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.700 0.761 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 728 17.097 0.172 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 728 16.251 -1.974 -2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.584 -1.435 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 728 14.472 -2.174 -4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 728 15.294 -0.682 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 16.408 -2.587 -6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 17.421 -1.836 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 16.625 -3.283 -4.569 1.00 0.00 H new ATOM 113 N LYS A 729 14.495 3.936 -0.651 1.00 0.00 N ATOM 114 CA LYS A 729 13.605 4.686 0.228 1.00 0.00 C ATOM 115 C LYS A 729 12.162 4.614 -0.264 1.00 0.00 C ATOM 116 O LYS A 729 11.860 4.999 -1.393 1.00 0.00 O ATOM 117 CB LYS A 729 14.056 6.147 0.313 1.00 0.00 C ATOM 118 CG LYS A 729 14.147 6.674 1.736 1.00 0.00 C ATOM 119 CD LYS A 729 14.014 8.189 1.777 1.00 0.00 C ATOM 120 CE LYS A 729 13.362 8.658 3.069 1.00 0.00 C ATOM 121 NZ LYS A 729 12.270 9.638 2.814 1.00 0.00 N ATOM 0 H LYS A 729 14.627 4.352 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 729 13.651 4.238 1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.030 6.246 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.359 6.767 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 729 13.363 6.222 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 729 15.100 6.379 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 729 15.000 8.644 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 729 13.422 8.526 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 729 12.961 7.799 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.116 9.113 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 11.851 9.934 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 12.657 10.469 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 11.538 9.196 2.221 1.00 0.00 H new ATOM 135 N CYS A 730 11.276 4.119 0.594 1.00 0.00 N ATOM 136 CA CYS A 730 9.863 4.000 0.248 1.00 0.00 C ATOM 137 C CYS A 730 9.194 5.376 0.248 1.00 0.00 C ATOM 138 O CYS A 730 9.471 6.207 1.112 1.00 0.00 O ATOM 139 CB CYS A 730 9.158 3.056 1.231 1.00 0.00 C ATOM 140 SG CYS A 730 7.353 3.065 1.122 1.00 0.00 S ATOM 0 H CYS A 730 11.510 3.794 1.532 1.00 0.00 H new ATOM 0 HA CYS A 730 9.781 3.582 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.514 2.041 1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.449 3.327 2.246 1.00 0.00 H new ATOM 0 HG CYS A 730 6.848 3.265 2.303 1.00 0.00 H new ATOM 145 N PRO A 731 8.308 5.637 -0.732 1.00 0.00 N ATOM 146 CA PRO A 731 7.611 6.920 -0.846 1.00 0.00 C ATOM 147 C PRO A 731 6.378 7.019 0.053 1.00 0.00 C ATOM 148 O PRO A 731 5.444 7.761 -0.247 1.00 0.00 O ATOM 149 CB PRO A 731 7.189 6.944 -2.311 1.00 0.00 C ATOM 150 CG PRO A 731 6.971 5.512 -2.662 1.00 0.00 C ATOM 151 CD PRO A 731 7.926 4.709 -1.815 1.00 0.00 C ATOM 0 HA PRO A 731 8.245 7.751 -0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.281 7.530 -2.453 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.959 7.393 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 731 5.940 5.218 -2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 731 7.156 5.341 -3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 731 7.452 3.810 -1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.794 4.386 -2.389 1.00 0.00 H new ATOM 159 N LEU A 732 6.374 6.267 1.148 1.00 0.00 N ATOM 160 CA LEU A 732 5.244 6.278 2.070 1.00 0.00 C ATOM 161 C LEU A 732 5.700 6.340 3.529 1.00 0.00 C ATOM 162 O LEU A 732 4.875 6.428 4.438 1.00 0.00 O ATOM 163 CB LEU A 732 4.381 5.036 1.846 1.00 0.00 C ATOM 164 CG LEU A 732 3.652 4.997 0.500 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.733 3.609 -0.118 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.201 5.426 0.671 1.00 0.00 C ATOM 0 H LEU A 732 7.136 5.645 1.418 1.00 0.00 H new ATOM 0 HA LEU A 732 4.659 7.175 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.013 4.152 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.643 4.974 2.645 1.00 0.00 H new ATOM 0 HG LEU A 732 4.142 5.697 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.208 3.605 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.778 3.342 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.271 2.885 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.696 5.393 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.701 4.750 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.166 6.442 1.065 1.00 0.00 H new ATOM 178 N CYS A 733 7.011 6.289 3.753 1.00 0.00 N ATOM 179 CA CYS A 733 7.554 6.337 5.104 1.00 0.00 C ATOM 180 C CYS A 733 8.959 6.934 5.103 1.00 0.00 C ATOM 181 O CYS A 733 9.407 7.489 4.100 1.00 0.00 O ATOM 182 CB CYS A 733 7.582 4.931 5.704 1.00 0.00 C ATOM 183 SG CYS A 733 8.669 3.785 4.828 1.00 0.00 S ATOM 0 H CYS A 733 7.714 6.215 3.017 1.00 0.00 H new ATOM 0 HA CYS A 733 6.912 6.974 5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.901 4.996 6.744 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.570 4.527 5.706 1.00 0.00 H new ATOM 0 HG CYS A 733 7.951 2.923 4.170 1.00 0.00 H new ATOM 188 N GLU A 734 9.652 6.811 6.232 1.00 0.00 N ATOM 189 CA GLU A 734 11.007 7.333 6.359 1.00 0.00 C ATOM 190 C GLU A 734 11.984 6.214 6.706 1.00 0.00 C ATOM 191 O GLU A 734 12.923 6.413 7.478 1.00 0.00 O ATOM 192 CB GLU A 734 11.059 8.424 7.430 1.00 0.00 C ATOM 193 CG GLU A 734 10.571 9.779 6.942 1.00 0.00 C ATOM 194 CD GLU A 734 11.646 10.847 7.011 1.00 0.00 C ATOM 195 OE1 GLU A 734 11.750 11.518 8.060 1.00 0.00 O ATOM 196 OE2 GLU A 734 12.382 11.012 6.016 1.00 0.00 O ATOM 0 H GLU A 734 9.296 6.354 7.072 1.00 0.00 H new ATOM 0 HA GLU A 734 11.298 7.764 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.454 8.114 8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.084 8.523 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.222 9.686 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.716 10.090 7.542 1.00 0.00 H new ATOM 203 N LEU A 735 11.754 5.037 6.133 1.00 0.00 N ATOM 204 CA LEU A 735 12.612 3.883 6.383 1.00 0.00 C ATOM 205 C LEU A 735 13.600 3.675 5.240 1.00 0.00 C ATOM 206 O LEU A 735 13.247 3.819 4.069 1.00 0.00 O ATOM 207 CB LEU A 735 11.764 2.622 6.572 1.00 0.00 C ATOM 208 CG LEU A 735 12.388 1.548 7.463 1.00 0.00 C ATOM 209 CD1 LEU A 735 13.589 0.916 6.777 1.00 0.00 C ATOM 210 CD2 LEU A 735 12.786 2.136 8.809 1.00 0.00 C ATOM 0 H LEU A 735 10.981 4.857 5.492 1.00 0.00 H new ATOM 0 HA LEU A 735 13.177 4.077 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.802 2.910 6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.563 2.188 5.593 1.00 0.00 H new ATOM 0 HG LEU A 735 11.645 0.770 7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 735 14.020 0.154 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 735 13.273 0.458 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 735 14.336 1.683 6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 735 13.228 1.357 9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 735 13.512 2.935 8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.903 2.538 9.306 1.00 0.00 H new ATOM 222 N MET A 736 14.835 3.333 5.588 1.00 0.00 N ATOM 223 CA MET A 736 15.875 3.098 4.592 1.00 0.00 C ATOM 224 C MET A 736 16.169 1.608 4.462 1.00 0.00 C ATOM 225 O MET A 736 16.339 0.910 5.462 1.00 0.00 O ATOM 226 CB MET A 736 17.151 3.854 4.967 1.00 0.00 C ATOM 227 CG MET A 736 17.225 5.254 4.379 1.00 0.00 C ATOM 228 SD MET A 736 18.913 5.757 3.995 1.00 0.00 S ATOM 229 CE MET A 736 18.612 7.076 2.819 1.00 0.00 C ATOM 0 H MET A 736 15.141 3.212 6.553 1.00 0.00 H new ATOM 0 HA MET A 736 15.516 3.466 3.631 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.217 3.921 6.053 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.015 3.281 4.630 1.00 0.00 H new ATOM 0 HG2 MET A 736 16.622 5.295 3.472 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.790 5.963 5.083 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.563 7.491 2.486 1.00 0.00 H new ATOM 0 HE2 MET A 736 18.068 6.681 1.961 1.00 0.00 H new ATOM 0 HE3 MET A 736 18.021 7.859 3.294 1.00 0.00 H new ATOM 239 N PHE A 737 16.225 1.124 3.225 1.00 0.00 N ATOM 240 CA PHE A 737 16.494 -0.287 2.970 1.00 0.00 C ATOM 241 C PHE A 737 17.874 -0.477 2.340 1.00 0.00 C ATOM 242 O PHE A 737 18.323 0.351 1.549 1.00 0.00 O ATOM 243 CB PHE A 737 15.412 -0.874 2.061 1.00 0.00 C ATOM 244 CG PHE A 737 14.049 -0.907 2.695 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.897 -1.265 4.026 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.919 -0.580 1.961 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.647 -1.296 4.612 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.666 -0.611 2.542 1.00 0.00 C ATOM 249 CZ PHE A 737 11.530 -0.968 3.869 1.00 0.00 C ATOM 0 H PHE A 737 16.088 1.687 2.385 1.00 0.00 H new ATOM 0 HA PHE A 737 16.481 -0.814 3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.363 -0.288 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.697 -1.887 1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.767 -1.523 4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.020 -0.298 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.543 -1.576 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.793 -0.356 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.551 -0.991 4.325 1.00 0.00 H new ATOM 259 N PRO A 738 18.567 -1.578 2.688 1.00 0.00 N ATOM 260 CA PRO A 738 19.904 -1.873 2.157 1.00 0.00 C ATOM 261 C PRO A 738 19.881 -2.206 0.666 1.00 0.00 C ATOM 262 O PRO A 738 18.865 -2.659 0.139 1.00 0.00 O ATOM 263 CB PRO A 738 20.352 -3.091 2.969 1.00 0.00 C ATOM 264 CG PRO A 738 19.087 -3.736 3.417 1.00 0.00 C ATOM 265 CD PRO A 738 18.105 -2.616 3.628 1.00 0.00 C ATOM 0 HA PRO A 738 20.571 -1.016 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.950 -3.772 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.968 -2.795 3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.722 -4.440 2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.241 -4.299 4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.084 -2.930 3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.116 -2.260 4.658 1.00 0.00 H new ATOM 273 N PRO A 739 21.009 -1.988 -0.034 1.00 0.00 N ATOM 274 CA PRO A 739 21.115 -2.270 -1.470 1.00 0.00 C ATOM 275 C PRO A 739 20.792 -3.723 -1.802 1.00 0.00 C ATOM 276 O PRO A 739 20.380 -4.037 -2.919 1.00 0.00 O ATOM 277 CB PRO A 739 22.582 -1.965 -1.792 1.00 0.00 C ATOM 278 CG PRO A 739 23.032 -1.047 -0.710 1.00 0.00 C ATOM 279 CD PRO A 739 22.267 -1.452 0.518 1.00 0.00 C ATOM 0 HA PRO A 739 20.406 -1.679 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.180 -2.876 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.682 -1.499 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 739 24.106 -1.133 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 739 22.831 -0.008 -0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.804 -2.202 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.088 -0.604 1.180 1.00 0.00 H new ATOM 287 N ASN A 740 20.982 -4.606 -0.825 1.00 0.00 N ATOM 288 CA ASN A 740 20.711 -6.027 -1.016 1.00 0.00 C ATOM 289 C ASN A 740 19.271 -6.375 -0.641 1.00 0.00 C ATOM 290 O ASN A 740 18.924 -7.548 -0.505 1.00 0.00 O ATOM 291 CB ASN A 740 21.682 -6.866 -0.183 1.00 0.00 C ATOM 292 CG ASN A 740 21.926 -8.236 -0.786 1.00 0.00 C ATOM 293 OD1 ASN A 740 21.288 -9.217 -0.405 1.00 0.00 O ATOM 294 ND2 ASN A 740 22.857 -8.309 -1.730 1.00 0.00 N ATOM 0 H ASN A 740 21.322 -4.363 0.105 1.00 0.00 H new ATOM 0 HA ASN A 740 20.851 -6.254 -2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.631 -6.337 -0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.285 -6.981 0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 740 23.068 -9.205 -2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.361 -7.469 -2.015 1.00 0.00 H new ATOM 301 N TYR A 741 18.434 -5.353 -0.475 1.00 0.00 N ATOM 302 CA TYR A 741 17.037 -5.562 -0.117 1.00 0.00 C ATOM 303 C TYR A 741 16.242 -6.072 -1.314 1.00 0.00 C ATOM 304 O TYR A 741 16.347 -5.533 -2.416 1.00 0.00 O ATOM 305 CB TYR A 741 16.424 -4.260 0.401 1.00 0.00 C ATOM 306 CG TYR A 741 15.080 -4.443 1.070 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.905 -4.425 0.328 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.986 -4.630 2.443 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.675 -4.589 0.936 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.760 -4.796 3.058 1.00 0.00 C ATOM 311 CZ TYR A 741 12.608 -4.774 2.301 1.00 0.00 C ATOM 312 OH TYR A 741 11.384 -4.937 2.909 1.00 0.00 O ATOM 0 H TYR A 741 18.700 -4.374 -0.583 1.00 0.00 H new ATOM 0 HA TYR A 741 16.995 -6.314 0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.113 -3.802 1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.314 -3.565 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.954 -4.280 -0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.886 -4.646 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.771 -4.572 0.345 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.704 -4.942 4.127 1.00 0.00 H new ATOM 0 HH TYR A 741 11.511 -5.057 3.873 1.00 0.00 H new ATOM 322 N ASP A 742 15.445 -7.112 -1.090 1.00 0.00 N ATOM 323 CA ASP A 742 14.633 -7.692 -2.152 1.00 0.00 C ATOM 324 C ASP A 742 13.537 -6.723 -2.584 1.00 0.00 C ATOM 325 O ASP A 742 12.773 -6.225 -1.757 1.00 0.00 O ATOM 326 CB ASP A 742 14.012 -9.011 -1.687 1.00 0.00 C ATOM 327 CG ASP A 742 14.842 -10.213 -2.088 1.00 0.00 C ATOM 328 OD1 ASP A 742 15.094 -10.383 -3.301 1.00 0.00 O ATOM 329 OD2 ASP A 742 15.241 -10.986 -1.192 1.00 0.00 O ATOM 0 H ASP A 742 15.345 -7.569 -0.184 1.00 0.00 H new ATOM 0 HA ASP A 742 15.280 -7.887 -3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.901 -8.995 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.011 -9.107 -2.108 1.00 0.00 H new ATOM 334 N GLN A 743 13.468 -6.457 -3.885 1.00 0.00 N ATOM 335 CA GLN A 743 12.468 -5.544 -4.425 1.00 0.00 C ATOM 336 C GLN A 743 11.059 -6.016 -4.093 1.00 0.00 C ATOM 337 O GLN A 743 10.191 -5.215 -3.746 1.00 0.00 O ATOM 338 CB GLN A 743 12.628 -5.413 -5.938 1.00 0.00 C ATOM 339 CG GLN A 743 13.674 -4.391 -6.353 1.00 0.00 C ATOM 340 CD GLN A 743 13.062 -3.151 -6.974 1.00 0.00 C ATOM 341 OE1 GLN A 743 13.222 -2.895 -8.168 1.00 0.00 O ATOM 342 NE2 GLN A 743 12.356 -2.371 -6.164 1.00 0.00 N ATOM 0 H GLN A 743 14.092 -6.861 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 743 12.622 -4.569 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 743 12.897 -6.385 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.668 -5.136 -6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 743 14.262 -4.104 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 743 14.361 -4.848 -7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 743 12.249 -2.621 -5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 743 11.921 -1.522 -6.525 1.00 0.00 H new ATOM 351 N SER A 744 10.837 -7.322 -4.195 1.00 0.00 N ATOM 352 CA SER A 744 9.530 -7.901 -3.898 1.00 0.00 C ATOM 353 C SER A 744 9.077 -7.496 -2.500 1.00 0.00 C ATOM 354 O SER A 744 7.923 -7.115 -2.291 1.00 0.00 O ATOM 355 CB SER A 744 9.583 -9.425 -4.009 1.00 0.00 C ATOM 356 OG SER A 744 10.044 -9.828 -5.288 1.00 0.00 O ATOM 0 H SER A 744 11.544 -8.000 -4.481 1.00 0.00 H new ATOM 0 HA SER A 744 8.812 -7.522 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.242 -9.826 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.592 -9.841 -3.829 1.00 0.00 H new ATOM 0 HG SER A 744 10.070 -10.807 -5.333 1.00 0.00 H new ATOM 362 N LYS A 745 10.003 -7.560 -1.550 1.00 0.00 N ATOM 363 CA LYS A 745 9.711 -7.181 -0.179 1.00 0.00 C ATOM 364 C LYS A 745 9.416 -5.691 -0.116 1.00 0.00 C ATOM 365 O LYS A 745 8.570 -5.241 0.657 1.00 0.00 O ATOM 366 CB LYS A 745 10.887 -7.525 0.737 1.00 0.00 C ATOM 367 CG LYS A 745 10.794 -8.913 1.350 1.00 0.00 C ATOM 368 CD LYS A 745 12.168 -9.461 1.700 1.00 0.00 C ATOM 369 CE LYS A 745 12.069 -10.709 2.563 1.00 0.00 C ATOM 370 NZ LYS A 745 12.430 -11.938 1.805 1.00 0.00 N ATOM 0 H LYS A 745 10.962 -7.871 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 745 8.838 -7.737 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.814 -7.449 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.942 -6.786 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.177 -8.875 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 745 10.299 -9.588 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.712 -9.693 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 745 12.741 -8.698 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.728 -10.607 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 745 11.054 -10.805 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 12.350 -12.767 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 11.785 -12.049 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 13.408 -11.858 1.459 1.00 0.00 H new ATOM 384 N PHE A 746 10.119 -4.935 -0.952 1.00 0.00 N ATOM 385 CA PHE A 746 9.939 -3.494 -1.016 1.00 0.00 C ATOM 386 C PHE A 746 8.558 -3.168 -1.565 1.00 0.00 C ATOM 387 O PHE A 746 7.883 -2.265 -1.076 1.00 0.00 O ATOM 388 CB PHE A 746 11.021 -2.864 -1.893 1.00 0.00 C ATOM 389 CG PHE A 746 10.997 -1.363 -1.891 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.089 -0.659 -0.701 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.882 -0.655 -3.077 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.068 0.723 -0.693 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.860 0.727 -3.075 1.00 0.00 C ATOM 394 CZ PHE A 746 10.953 1.417 -1.882 1.00 0.00 C ATOM 0 H PHE A 746 10.821 -5.300 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 746 10.025 -3.082 -0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.998 -3.204 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.900 -3.220 -2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.178 -1.197 0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.809 -1.189 -4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.141 1.260 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.770 1.267 -4.006 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.936 2.497 -1.879 1.00 0.00 H new ATOM 404 N GLU A 747 8.137 -3.926 -2.574 1.00 0.00 N ATOM 405 CA GLU A 747 6.825 -3.732 -3.173 1.00 0.00 C ATOM 406 C GLU A 747 5.740 -3.969 -2.132 1.00 0.00 C ATOM 407 O GLU A 747 4.759 -3.228 -2.057 1.00 0.00 O ATOM 408 CB GLU A 747 6.633 -4.679 -4.360 1.00 0.00 C ATOM 409 CG GLU A 747 7.256 -4.171 -5.650 1.00 0.00 C ATOM 410 CD GLU A 747 7.496 -5.279 -6.657 1.00 0.00 C ATOM 411 OE1 GLU A 747 8.538 -5.959 -6.554 1.00 0.00 O ATOM 412 OE2 GLU A 747 6.641 -5.468 -7.547 1.00 0.00 O ATOM 0 H GLU A 747 8.686 -4.678 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 747 6.753 -2.706 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.066 -5.649 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.566 -4.837 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.604 -3.418 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 747 8.202 -3.680 -5.423 1.00 0.00 H new ATOM 419 N GLU A 748 5.936 -5.005 -1.324 1.00 0.00 N ATOM 420 CA GLU A 748 4.988 -5.347 -0.271 1.00 0.00 C ATOM 421 C GLU A 748 4.979 -4.275 0.812 1.00 0.00 C ATOM 422 O GLU A 748 3.922 -3.891 1.313 1.00 0.00 O ATOM 423 CB GLU A 748 5.346 -6.700 0.343 1.00 0.00 C ATOM 424 CG GLU A 748 4.708 -7.881 -0.368 1.00 0.00 C ATOM 425 CD GLU A 748 4.439 -9.047 0.562 1.00 0.00 C ATOM 426 OE1 GLU A 748 3.372 -9.054 1.213 1.00 0.00 O ATOM 427 OE2 GLU A 748 5.295 -9.953 0.642 1.00 0.00 O ATOM 0 H GLU A 748 6.745 -5.624 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 748 3.993 -5.407 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.429 -6.820 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.038 -6.707 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.771 -7.562 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.361 -8.209 -1.176 1.00 0.00 H new ATOM 434 N HIS A 749 6.166 -3.792 1.158 1.00 0.00 N ATOM 435 CA HIS A 749 6.304 -2.755 2.173 1.00 0.00 C ATOM 436 C HIS A 749 5.639 -1.472 1.695 1.00 0.00 C ATOM 437 O HIS A 749 4.834 -0.871 2.406 1.00 0.00 O ATOM 438 CB HIS A 749 7.792 -2.530 2.479 1.00 0.00 C ATOM 439 CG HIS A 749 8.122 -1.163 2.997 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.229 -0.855 4.334 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.392 -0.016 2.325 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.557 0.440 4.430 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.667 0.994 3.239 1.00 0.00 N ATOM 0 H HIS A 749 7.048 -4.102 0.750 1.00 0.00 H new ATOM 0 HA HIS A 749 5.809 -3.070 3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.115 -3.270 3.212 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.367 -2.709 1.571 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.084 -1.498 5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.393 0.095 1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.711 0.963 5.362 1.00 0.00 H new ATOM 451 N VAL A 750 5.966 -1.074 0.475 1.00 0.00 N ATOM 452 CA VAL A 750 5.386 0.120 -0.116 1.00 0.00 C ATOM 453 C VAL A 750 3.875 -0.043 -0.238 1.00 0.00 C ATOM 454 O VAL A 750 3.115 0.901 -0.021 1.00 0.00 O ATOM 455 CB VAL A 750 5.985 0.397 -1.508 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.310 1.593 -2.165 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.487 0.614 -1.408 1.00 0.00 C ATOM 0 H VAL A 750 6.631 -1.562 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 750 5.615 0.964 0.534 1.00 0.00 H new ATOM 0 HB VAL A 750 5.804 -0.476 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.752 1.766 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.244 1.393 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.450 2.477 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.893 0.808 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.689 1.467 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.956 -0.277 -0.992 1.00 0.00 H new ATOM 467 N GLU A 751 3.450 -1.256 -0.578 1.00 0.00 N ATOM 468 CA GLU A 751 2.033 -1.563 -0.722 1.00 0.00 C ATOM 469 C GLU A 751 1.346 -1.591 0.640 1.00 0.00 C ATOM 470 O GLU A 751 0.154 -1.312 0.751 1.00 0.00 O ATOM 471 CB GLU A 751 1.850 -2.907 -1.426 1.00 0.00 C ATOM 472 CG GLU A 751 2.178 -2.867 -2.910 1.00 0.00 C ATOM 473 CD GLU A 751 2.510 -4.236 -3.471 1.00 0.00 C ATOM 474 OE1 GLU A 751 3.169 -5.024 -2.760 1.00 0.00 O ATOM 475 OE2 GLU A 751 2.111 -4.520 -4.620 1.00 0.00 O ATOM 0 H GLU A 751 4.071 -2.045 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 751 1.575 -0.780 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.484 -3.650 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.819 -3.237 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.330 -2.451 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 751 3.022 -2.197 -3.074 1.00 0.00 H new ATOM 482 N SER A 752 2.106 -1.927 1.678 1.00 0.00 N ATOM 483 CA SER A 752 1.564 -1.984 3.030 1.00 0.00 C ATOM 484 C SER A 752 0.964 -0.637 3.418 1.00 0.00 C ATOM 485 O SER A 752 -0.081 -0.573 4.067 1.00 0.00 O ATOM 486 CB SER A 752 2.656 -2.381 4.027 1.00 0.00 C ATOM 487 OG SER A 752 3.426 -1.257 4.416 1.00 0.00 O ATOM 0 H SER A 752 3.096 -2.163 1.609 1.00 0.00 H new ATOM 0 HA SER A 752 0.778 -2.738 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 752 2.201 -2.836 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.306 -3.133 3.579 1.00 0.00 H new ATOM 0 HG SER A 752 3.772 -0.806 3.618 1.00 0.00 H new ATOM 493 N HIS A 753 1.634 0.436 3.013 1.00 0.00 N ATOM 494 CA HIS A 753 1.168 1.789 3.312 1.00 0.00 C ATOM 495 C HIS A 753 -0.073 2.141 2.494 1.00 0.00 C ATOM 496 O HIS A 753 -0.860 3.003 2.885 1.00 0.00 O ATOM 497 CB HIS A 753 2.269 2.810 3.030 1.00 0.00 C ATOM 498 CG HIS A 753 3.584 2.472 3.659 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.894 2.734 4.974 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.684 1.887 3.123 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.147 2.311 5.193 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.670 1.787 4.101 1.00 0.00 N ATOM 0 H HIS A 753 2.501 0.398 2.477 1.00 0.00 H new ATOM 0 HA HIS A 753 0.908 1.820 4.370 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.404 2.896 1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.946 3.787 3.389 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.279 3.172 5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.780 1.552 2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.661 2.389 6.140 1.00 0.00 H new ATOM 510 N TRP A 754 -0.240 1.474 1.355 1.00 0.00 N ATOM 511 CA TRP A 754 -1.385 1.726 0.483 1.00 0.00 C ATOM 512 C TRP A 754 -2.692 1.341 1.166 1.00 0.00 C ATOM 513 O TRP A 754 -2.699 0.582 2.135 1.00 0.00 O ATOM 514 CB TRP A 754 -1.242 0.942 -0.821 1.00 0.00 C ATOM 515 CG TRP A 754 -0.249 1.534 -1.772 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.838 2.297 -1.461 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.256 1.406 -3.193 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.508 2.651 -2.609 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.854 2.114 -3.686 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.096 0.758 -4.094 1.00 0.00 C ATOM 521 CZ2 TRP A 754 1.143 2.191 -5.047 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.812 0.833 -5.445 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.299 1.545 -5.910 1.00 0.00 C ATOM 0 H TRP A 754 0.401 0.757 1.015 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.407 2.794 0.265 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.945 -0.081 -0.589 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.214 0.888 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.130 2.581 -0.461 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.353 3.220 -2.651 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -1.955 0.206 -3.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 2.001 2.740 -5.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.458 0.334 -6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.495 1.586 -6.971 1.00 0.00 H new ATOM 534 N LYS A 755 -3.798 1.856 0.640 1.00 0.00 N ATOM 535 CA LYS A 755 -5.117 1.553 1.181 1.00 0.00 C ATOM 536 C LYS A 755 -5.631 0.257 0.576 1.00 0.00 C ATOM 537 O LYS A 755 -5.859 0.181 -0.625 1.00 0.00 O ATOM 538 CB LYS A 755 -6.088 2.696 0.878 1.00 0.00 C ATOM 539 CG LYS A 755 -6.019 3.838 1.879 1.00 0.00 C ATOM 540 CD LYS A 755 -6.183 5.185 1.194 1.00 0.00 C ATOM 541 CE LYS A 755 -6.790 6.217 2.132 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.761 7.139 2.686 1.00 0.00 N ATOM 0 H LYS A 755 -3.807 2.486 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.041 1.439 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.878 3.085 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.104 2.302 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.798 3.713 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.063 3.808 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.213 5.537 0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.818 5.073 0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.544 6.794 1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.299 5.708 2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.190 7.737 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.985 6.584 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.388 7.741 1.924 1.00 0.00 H new ATOM 556 N VAL A 756 -5.788 -0.772 1.401 1.00 0.00 N ATOM 557 CA VAL A 756 -6.249 -2.062 0.903 1.00 0.00 C ATOM 558 C VAL A 756 -7.522 -2.533 1.590 1.00 0.00 C ATOM 559 O VAL A 756 -7.640 -2.489 2.815 1.00 0.00 O ATOM 560 CB VAL A 756 -5.164 -3.139 1.069 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.589 -4.443 0.408 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.849 -2.647 0.494 1.00 0.00 C ATOM 0 H VAL A 756 -5.606 -0.740 2.404 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.466 -1.915 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.028 -3.333 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.805 -5.189 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.511 -4.800 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.756 -4.274 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.087 -3.417 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.975 -2.427 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.538 -1.743 1.018 1.00 0.00 H new ATOM 572 N CYS A 757 -8.460 -3.005 0.780 1.00 0.00 N ATOM 573 CA CYS A 757 -9.727 -3.519 1.284 1.00 0.00 C ATOM 574 C CYS A 757 -9.530 -4.930 1.841 1.00 0.00 C ATOM 575 O CYS A 757 -8.930 -5.781 1.184 1.00 0.00 O ATOM 576 CB CYS A 757 -10.774 -3.525 0.167 1.00 0.00 C ATOM 577 SG CYS A 757 -12.443 -3.957 0.713 1.00 0.00 S ATOM 0 H CYS A 757 -8.366 -3.043 -0.235 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.082 -2.872 2.086 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.800 -2.539 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.462 -4.231 -0.603 1.00 0.00 H new ATOM 0 HG CYS A 757 -13.267 -3.854 -0.287 1.00 0.00 H new ATOM 582 N PRO A 758 -10.009 -5.195 3.069 1.00 0.00 N ATOM 583 CA PRO A 758 -9.854 -6.498 3.711 1.00 0.00 C ATOM 584 C PRO A 758 -10.965 -7.487 3.366 1.00 0.00 C ATOM 585 O PRO A 758 -10.885 -8.662 3.722 1.00 0.00 O ATOM 586 CB PRO A 758 -9.907 -6.138 5.192 1.00 0.00 C ATOM 587 CG PRO A 758 -10.832 -4.968 5.262 1.00 0.00 C ATOM 588 CD PRO A 758 -10.716 -4.238 3.943 1.00 0.00 C ATOM 0 HA PRO A 758 -8.942 -7.002 3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.276 -6.971 5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.918 -5.885 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.857 -5.296 5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.564 -4.313 6.091 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.696 -3.979 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.159 -3.307 4.049 1.00 0.00 H new ATOM 596 N MET A 759 -12.004 -7.014 2.685 1.00 0.00 N ATOM 597 CA MET A 759 -13.120 -7.881 2.322 1.00 0.00 C ATOM 598 C MET A 759 -12.869 -8.596 0.996 1.00 0.00 C ATOM 599 O MET A 759 -13.402 -9.679 0.758 1.00 0.00 O ATOM 600 CB MET A 759 -14.414 -7.073 2.252 1.00 0.00 C ATOM 601 CG MET A 759 -14.865 -6.540 3.604 1.00 0.00 C ATOM 602 SD MET A 759 -15.075 -7.844 4.831 1.00 0.00 S ATOM 603 CE MET A 759 -14.973 -6.899 6.349 1.00 0.00 C ATOM 0 H MET A 759 -12.097 -6.046 2.376 1.00 0.00 H new ATOM 0 HA MET A 759 -13.215 -8.643 3.096 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.275 -6.236 1.567 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.203 -7.699 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.133 -5.819 3.968 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.807 -6.005 3.483 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.764 -7.570 7.182 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.173 -6.163 6.267 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.920 -6.387 6.523 1.00 0.00 H new ATOM 613 N CYS A 760 -12.056 -7.991 0.134 1.00 0.00 N ATOM 614 CA CYS A 760 -11.746 -8.589 -1.164 1.00 0.00 C ATOM 615 C CYS A 760 -10.236 -8.664 -1.402 1.00 0.00 C ATOM 616 O CYS A 760 -9.767 -9.500 -2.174 1.00 0.00 O ATOM 617 CB CYS A 760 -12.414 -7.800 -2.288 1.00 0.00 C ATOM 618 SG CYS A 760 -11.734 -6.145 -2.529 1.00 0.00 S ATOM 0 H CYS A 760 -11.602 -7.094 0.307 1.00 0.00 H new ATOM 0 HA CYS A 760 -12.137 -9.606 -1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.318 -8.360 -3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.480 -7.716 -2.075 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.209 -5.636 -3.627 1.00 0.00 H new ATOM 623 N SER A 761 -9.482 -7.787 -0.736 1.00 0.00 N ATOM 624 CA SER A 761 -8.024 -7.748 -0.866 1.00 0.00 C ATOM 625 C SER A 761 -7.588 -6.927 -2.079 1.00 0.00 C ATOM 626 O SER A 761 -6.708 -7.340 -2.837 1.00 0.00 O ATOM 627 CB SER A 761 -7.443 -9.163 -0.955 1.00 0.00 C ATOM 628 OG SER A 761 -8.132 -10.053 -0.093 1.00 0.00 O ATOM 0 H SER A 761 -9.861 -7.089 -0.096 1.00 0.00 H new ATOM 0 HA SER A 761 -7.635 -7.263 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.509 -9.523 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 761 -6.385 -9.142 -0.692 1.00 0.00 H new ATOM 0 HG SER A 761 -7.743 -10.949 -0.170 1.00 0.00 H new ATOM 634 N GLU A 762 -8.191 -5.754 -2.249 1.00 0.00 N ATOM 635 CA GLU A 762 -7.846 -4.868 -3.358 1.00 0.00 C ATOM 636 C GLU A 762 -6.865 -3.807 -2.892 1.00 0.00 C ATOM 637 O GLU A 762 -6.911 -3.378 -1.740 1.00 0.00 O ATOM 638 CB GLU A 762 -9.098 -4.199 -3.930 1.00 0.00 C ATOM 639 CG GLU A 762 -8.934 -3.734 -5.369 1.00 0.00 C ATOM 640 CD GLU A 762 -9.253 -2.263 -5.549 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.442 -1.421 -5.108 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.313 -1.952 -6.132 1.00 0.00 O ATOM 0 H GLU A 762 -8.921 -5.394 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.384 -5.468 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.931 -4.899 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.360 -3.343 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -7.910 -3.922 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -9.585 -4.324 -6.014 1.00 0.00 H new ATOM 649 N GLN A 763 -5.976 -3.380 -3.784 1.00 0.00 N ATOM 650 CA GLN A 763 -5.000 -2.367 -3.423 1.00 0.00 C ATOM 651 C GLN A 763 -5.356 -1.022 -4.040 1.00 0.00 C ATOM 652 O GLN A 763 -5.634 -0.918 -5.235 1.00 0.00 O ATOM 653 CB GLN A 763 -3.602 -2.793 -3.880 1.00 0.00 C ATOM 654 CG GLN A 763 -2.772 -3.436 -2.781 1.00 0.00 C ATOM 655 CD GLN A 763 -1.315 -3.017 -2.827 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.435 -3.823 -3.125 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.054 -1.748 -2.531 1.00 0.00 N ATOM 0 H GLN A 763 -5.914 -3.715 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.008 -2.262 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.698 -3.494 -4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.072 -1.920 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.192 -3.170 -1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.837 -4.520 -2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.815 -1.114 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.092 -1.408 -2.546 1.00 0.00 H new ATOM 666 N PHE A 764 -5.331 0.003 -3.204 1.00 0.00 N ATOM 667 CA PHE A 764 -5.631 1.364 -3.627 1.00 0.00 C ATOM 668 C PHE A 764 -4.422 2.275 -3.401 1.00 0.00 C ATOM 669 O PHE A 764 -4.003 2.479 -2.260 1.00 0.00 O ATOM 670 CB PHE A 764 -6.846 1.901 -2.865 1.00 0.00 C ATOM 671 CG PHE A 764 -8.100 1.100 -3.091 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.364 -0.031 -2.333 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.013 1.479 -4.061 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.515 -0.767 -2.540 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.166 0.745 -4.272 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.417 -0.379 -3.510 1.00 0.00 C ATOM 0 H PHE A 764 -5.103 -0.083 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.862 1.351 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.620 1.913 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.025 2.934 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.662 -0.340 -1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.822 2.358 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.709 -1.646 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.870 1.051 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.317 -0.953 -3.673 1.00 0.00 H new ATOM 686 N PRO A 765 -3.837 2.833 -4.476 1.00 0.00 N ATOM 687 CA PRO A 765 -2.671 3.716 -4.362 1.00 0.00 C ATOM 688 C PRO A 765 -2.954 4.936 -3.487 1.00 0.00 C ATOM 689 O PRO A 765 -4.097 5.378 -3.375 1.00 0.00 O ATOM 690 CB PRO A 765 -2.401 4.151 -5.807 1.00 0.00 C ATOM 691 CG PRO A 765 -3.047 3.107 -6.648 1.00 0.00 C ATOM 692 CD PRO A 765 -4.251 2.647 -5.877 1.00 0.00 C ATOM 0 HA PRO A 765 -1.827 3.212 -3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -2.821 5.136 -6.008 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.331 4.214 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.335 3.510 -7.619 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.364 2.279 -6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.135 3.237 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.494 1.606 -6.091 1.00 0.00 H new ATOM 700 N PRO A 766 -1.909 5.495 -2.850 1.00 0.00 N ATOM 701 CA PRO A 766 -2.049 6.666 -1.978 1.00 0.00 C ATOM 702 C PRO A 766 -2.733 7.836 -2.678 1.00 0.00 C ATOM 703 O PRO A 766 -3.280 8.726 -2.027 1.00 0.00 O ATOM 704 CB PRO A 766 -0.603 7.029 -1.627 1.00 0.00 C ATOM 705 CG PRO A 766 0.161 5.764 -1.804 1.00 0.00 C ATOM 706 CD PRO A 766 -0.514 5.027 -2.926 1.00 0.00 C ATOM 0 HA PRO A 766 -2.672 6.449 -1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.223 7.815 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.525 7.398 -0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 766 1.205 5.969 -2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 766 0.154 5.172 -0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.063 5.262 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.445 3.947 -2.797 1.00 0.00 H new ATOM 714 N ASP A 767 -2.704 7.827 -4.007 1.00 0.00 N ATOM 715 CA ASP A 767 -3.327 8.888 -4.789 1.00 0.00 C ATOM 716 C ASP A 767 -4.829 8.653 -4.927 1.00 0.00 C ATOM 717 O ASP A 767 -5.569 9.540 -5.350 1.00 0.00 O ATOM 718 CB ASP A 767 -2.683 8.974 -6.174 1.00 0.00 C ATOM 719 CG ASP A 767 -1.229 9.399 -6.111 1.00 0.00 C ATOM 720 OD1 ASP A 767 -0.470 8.804 -5.318 1.00 0.00 O ATOM 721 OD2 ASP A 767 -0.850 10.329 -6.854 1.00 0.00 O ATOM 0 H ASP A 767 -2.257 7.098 -4.563 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.172 9.831 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.754 8.004 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.240 9.683 -6.787 1.00 0.00 H new ATOM 726 N TYR A 768 -5.276 7.454 -4.558 1.00 0.00 N ATOM 727 CA TYR A 768 -6.688 7.110 -4.634 1.00 0.00 C ATOM 728 C TYR A 768 -7.476 7.831 -3.547 1.00 0.00 C ATOM 729 O TYR A 768 -7.071 7.851 -2.384 1.00 0.00 O ATOM 730 CB TYR A 768 -6.872 5.597 -4.492 1.00 0.00 C ATOM 731 CG TYR A 768 -7.929 5.025 -5.409 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.636 4.711 -6.729 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.222 4.801 -4.952 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.601 4.188 -7.569 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.193 4.278 -5.786 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.877 3.974 -7.092 1.00 0.00 C ATOM 737 OH TYR A 768 -10.841 3.453 -7.926 1.00 0.00 O ATOM 0 H TYR A 768 -4.678 6.707 -4.204 1.00 0.00 H new ATOM 0 HA TYR A 768 -7.065 7.426 -5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.922 5.104 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.136 5.367 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.638 4.878 -7.106 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.473 5.039 -3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.357 3.948 -8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.193 4.109 -5.416 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.684 3.363 -7.435 1.00 0.00 H new ATOM 747 N ASP A 769 -8.601 8.423 -3.928 1.00 0.00 N ATOM 748 CA ASP A 769 -9.440 9.141 -2.978 1.00 0.00 C ATOM 749 C ASP A 769 -10.029 8.182 -1.950 1.00 0.00 C ATOM 750 O ASP A 769 -10.658 7.185 -2.306 1.00 0.00 O ATOM 751 CB ASP A 769 -10.562 9.881 -3.710 1.00 0.00 C ATOM 752 CG ASP A 769 -10.738 11.302 -3.211 1.00 0.00 C ATOM 753 OD1 ASP A 769 -9.839 12.134 -3.459 1.00 0.00 O ATOM 754 OD2 ASP A 769 -11.774 11.584 -2.575 1.00 0.00 O ATOM 0 H ASP A 769 -8.952 8.420 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 769 -8.819 9.870 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.346 9.898 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.497 9.335 -3.583 1.00 0.00 H new ATOM 759 N GLN A 770 -9.820 8.486 -0.672 1.00 0.00 N ATOM 760 CA GLN A 770 -10.331 7.645 0.405 1.00 0.00 C ATOM 761 C GLN A 770 -11.840 7.460 0.282 1.00 0.00 C ATOM 762 O GLN A 770 -12.386 6.443 0.707 1.00 0.00 O ATOM 763 CB GLN A 770 -9.987 8.255 1.765 1.00 0.00 C ATOM 764 CG GLN A 770 -10.448 7.413 2.943 1.00 0.00 C ATOM 765 CD GLN A 770 -9.294 6.907 3.787 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.395 7.666 4.148 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.315 5.618 4.106 1.00 0.00 N ATOM 0 H GLN A 770 -9.302 9.306 -0.358 1.00 0.00 H new ATOM 0 HA GLN A 770 -9.857 6.667 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -8.908 8.394 1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.441 9.243 1.836 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.118 8.005 3.567 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.023 6.564 2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.081 5.026 3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -8.566 5.221 4.672 1.00 0.00 H new ATOM 776 N GLN A 771 -12.508 8.448 -0.308 1.00 0.00 N ATOM 777 CA GLN A 771 -13.951 8.383 -0.492 1.00 0.00 C ATOM 778 C GLN A 771 -14.322 7.186 -1.360 1.00 0.00 C ATOM 779 O GLN A 771 -15.244 6.434 -1.043 1.00 0.00 O ATOM 780 CB GLN A 771 -14.467 9.676 -1.130 1.00 0.00 C ATOM 781 CG GLN A 771 -15.768 10.176 -0.524 1.00 0.00 C ATOM 782 CD GLN A 771 -16.422 11.258 -1.360 1.00 0.00 C ATOM 783 OE1 GLN A 771 -15.768 11.910 -2.174 1.00 0.00 O ATOM 784 NE2 GLN A 771 -17.721 11.454 -1.162 1.00 0.00 N ATOM 0 H GLN A 771 -12.073 9.299 -0.665 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.418 8.265 0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -13.707 10.450 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -14.613 9.512 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -16.458 9.340 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -15.574 10.563 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -18.223 10.890 -0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -18.216 12.169 -1.695 1.00 0.00 H new ATOM 793 N VAL A 772 -13.586 7.010 -2.455 1.00 0.00 N ATOM 794 CA VAL A 772 -13.827 5.898 -3.365 1.00 0.00 C ATOM 795 C VAL A 772 -13.473 4.575 -2.700 1.00 0.00 C ATOM 796 O VAL A 772 -14.173 3.575 -2.865 1.00 0.00 O ATOM 797 CB VAL A 772 -13.012 6.043 -4.665 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.481 5.037 -5.704 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.112 7.463 -5.204 1.00 0.00 C ATOM 0 H VAL A 772 -12.819 7.623 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 772 -14.888 5.911 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 772 -11.965 5.838 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.894 5.154 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.351 4.026 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.534 5.208 -5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.530 7.546 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.155 7.700 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -12.722 8.162 -4.463 1.00 0.00 H new ATOM 809 N PHE A 773 -12.384 4.576 -1.938 1.00 0.00 N ATOM 810 CA PHE A 773 -11.948 3.375 -1.240 1.00 0.00 C ATOM 811 C PHE A 773 -12.941 3.002 -0.145 1.00 0.00 C ATOM 812 O PHE A 773 -13.382 1.857 -0.057 1.00 0.00 O ATOM 813 CB PHE A 773 -10.557 3.578 -0.633 1.00 0.00 C ATOM 814 CG PHE A 773 -10.156 2.476 0.310 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.254 1.147 -0.072 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.697 2.772 1.583 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.898 0.134 0.797 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.340 1.762 2.457 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.442 0.441 2.063 1.00 0.00 C ATOM 0 H PHE A 773 -11.790 5.392 -1.789 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.900 2.562 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.823 3.645 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.535 4.529 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.613 0.901 -1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.617 3.803 1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.976 -0.897 0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -8.982 2.005 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.165 -0.350 2.745 1.00 0.00 H new ATOM 829 N GLU A 774 -13.286 3.980 0.691 1.00 0.00 N ATOM 830 CA GLU A 774 -14.222 3.755 1.785 1.00 0.00 C ATOM 831 C GLU A 774 -15.527 3.177 1.260 1.00 0.00 C ATOM 832 O GLU A 774 -16.061 2.216 1.815 1.00 0.00 O ATOM 833 CB GLU A 774 -14.491 5.061 2.535 1.00 0.00 C ATOM 834 CG GLU A 774 -13.567 5.281 3.721 1.00 0.00 C ATOM 835 CD GLU A 774 -14.082 4.635 4.991 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.151 3.388 5.036 1.00 0.00 O ATOM 837 OE2 GLU A 774 -14.420 5.374 5.940 1.00 0.00 O ATOM 0 H GLU A 774 -12.930 4.934 0.630 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.776 3.039 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.386 5.896 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.524 5.064 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -12.581 4.879 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.444 6.351 3.887 1.00 0.00 H new ATOM 844 N ARG A 775 -16.031 3.758 0.177 1.00 0.00 N ATOM 845 CA ARG A 775 -17.266 3.285 -0.424 1.00 0.00 C ATOM 846 C ARG A 775 -17.084 1.860 -0.937 1.00 0.00 C ATOM 847 O ARG A 775 -17.977 1.022 -0.802 1.00 0.00 O ATOM 848 CB ARG A 775 -17.716 4.235 -1.547 1.00 0.00 C ATOM 849 CG ARG A 775 -17.059 3.991 -2.901 1.00 0.00 C ATOM 850 CD ARG A 775 -17.905 4.537 -4.040 1.00 0.00 C ATOM 851 NE ARG A 775 -18.263 3.497 -5.003 1.00 0.00 N ATOM 852 CZ ARG A 775 -19.298 2.672 -4.857 1.00 0.00 C ATOM 853 NH1 ARG A 775 -20.089 2.767 -3.795 1.00 0.00 N ATOM 854 NH2 ARG A 775 -19.544 1.748 -5.777 1.00 0.00 N ATOM 0 H ARG A 775 -15.604 4.553 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.051 3.275 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.796 4.149 -1.664 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.509 5.260 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.076 4.462 -2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.903 2.922 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.813 4.984 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -17.358 5.330 -4.550 1.00 0.00 H new ATOM 0 HE ARG A 775 -17.685 3.397 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -19.906 3.475 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -20.880 2.132 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -18.940 1.670 -6.596 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -20.337 1.116 -5.666 1.00 0.00 H new ATOM 868 N HIS A 776 -15.914 1.587 -1.513 1.00 0.00 N ATOM 869 CA HIS A 776 -15.611 0.259 -2.031 1.00 0.00 C ATOM 870 C HIS A 776 -15.614 -0.765 -0.902 1.00 0.00 C ATOM 871 O HIS A 776 -16.232 -1.822 -1.012 1.00 0.00 O ATOM 872 CB HIS A 776 -14.249 0.255 -2.734 1.00 0.00 C ATOM 873 CG HIS A 776 -13.620 -1.104 -2.814 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.712 -1.930 -3.910 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.889 -1.786 -1.892 1.00 0.00 C ATOM 876 CE1 HIS A 776 -13.053 -3.061 -3.626 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.533 -3.021 -2.417 1.00 0.00 N ATOM 0 H HIS A 776 -15.164 2.268 -1.631 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.381 -0.010 -2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.369 0.651 -3.742 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.574 0.928 -2.205 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.627 -1.425 -0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.960 -3.898 -4.302 1.00 0.00 H new ATOM 0 HE2 HIS A 776 -11.982 -3.748 -1.960 1.00 0.00 H new ATOM 885 N VAL A 777 -14.925 -0.441 0.186 1.00 0.00 N ATOM 886 CA VAL A 777 -14.861 -1.337 1.332 1.00 0.00 C ATOM 887 C VAL A 777 -16.233 -1.456 1.980 1.00 0.00 C ATOM 888 O VAL A 777 -16.586 -2.499 2.532 1.00 0.00 O ATOM 889 CB VAL A 777 -13.837 -0.876 2.394 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.276 -2.076 3.142 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.710 -0.070 1.768 1.00 0.00 C ATOM 0 H VAL A 777 -14.406 0.430 0.298 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.533 -2.305 0.954 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.357 -0.229 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.556 -1.736 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.088 -2.608 3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.781 -2.745 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.009 0.238 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.190 -0.682 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.122 0.813 1.280 1.00 0.00 H new ATOM 901 N GLN A 778 -17.008 -0.378 1.897 1.00 0.00 N ATOM 902 CA GLN A 778 -18.349 -0.351 2.463 1.00 0.00 C ATOM 903 C GLN A 778 -19.268 -1.308 1.712 1.00 0.00 C ATOM 904 O GLN A 778 -20.155 -1.924 2.303 1.00 0.00 O ATOM 905 CB GLN A 778 -18.920 1.067 2.414 1.00 0.00 C ATOM 906 CG GLN A 778 -18.470 1.945 3.570 1.00 0.00 C ATOM 907 CD GLN A 778 -18.951 1.433 4.913 1.00 0.00 C ATOM 908 OE1 GLN A 778 -20.113 1.055 5.066 1.00 0.00 O ATOM 909 NE2 GLN A 778 -18.058 1.417 5.894 1.00 0.00 N ATOM 0 H GLN A 778 -16.727 0.490 1.441 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.286 -0.671 3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.624 1.536 1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -20.009 1.011 2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.381 2.002 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.841 2.958 3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -17.106 1.740 5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.324 1.082 6.820 1.00 0.00 H new ATOM 918 N THR A 779 -19.051 -1.427 0.405 1.00 0.00 N ATOM 919 CA THR A 779 -19.858 -2.309 -0.425 1.00 0.00 C ATOM 920 C THR A 779 -19.767 -3.750 0.060 1.00 0.00 C ATOM 921 O THR A 779 -20.680 -4.547 -0.153 1.00 0.00 O ATOM 922 CB THR A 779 -19.415 -2.219 -1.883 1.00 0.00 C ATOM 923 OG1 THR A 779 -18.185 -2.894 -2.080 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.247 -0.799 -2.373 1.00 0.00 C ATOM 0 H THR A 779 -18.322 -0.923 -0.100 1.00 0.00 H new ATOM 0 HA THR A 779 -20.896 -1.986 -0.349 1.00 0.00 H new ATOM 0 HB THR A 779 -20.216 -2.688 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 779 -17.565 -2.661 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 779 -18.931 -0.809 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 779 -20.196 -0.270 -2.286 1.00 0.00 H new ATOM 0 HG23 THR A 779 -18.493 -0.293 -1.770 1.00 0.00 H new ATOM 932 N HIS A 780 -18.660 -4.078 0.715 1.00 0.00 N ATOM 933 CA HIS A 780 -18.450 -5.422 1.230 1.00 0.00 C ATOM 934 C HIS A 780 -19.137 -5.603 2.580 1.00 0.00 C ATOM 935 O HIS A 780 -19.556 -6.706 2.930 1.00 0.00 O ATOM 936 CB HIS A 780 -16.955 -5.705 1.359 1.00 0.00 C ATOM 937 CG HIS A 780 -16.226 -5.679 0.052 1.00 0.00 C ATOM 938 ND1 HIS A 780 -15.389 -4.742 -0.468 1.00 0.00 N flip ATOM 939 CD2 HIS A 780 -16.310 -6.678 -0.891 1.00 0.00 C flip ATOM 940 CE1 HIS A 780 -14.960 -5.163 -1.722 1.00 0.00 C flip ATOM 941 NE2 HIS A 780 -15.539 -6.329 -1.929 1.00 0.00 N flip ATOM 0 H HIS A 780 -17.895 -3.430 0.901 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.889 -6.130 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.511 -4.968 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.817 -6.682 1.823 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -16.894 -7.583 -0.809 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -14.290 -4.642 -2.389 1.00 0.00 H new ATOM 0 HE2 HIS A 780 -15.416 -6.892 -2.770 1.00 0.00 H new ATOM 949 N PHE A 781 -19.249 -4.514 3.335 1.00 0.00 N ATOM 950 CA PHE A 781 -19.887 -4.555 4.646 1.00 0.00 C ATOM 951 C PHE A 781 -21.399 -4.715 4.513 1.00 0.00 C ATOM 952 O PHE A 781 -22.055 -5.262 5.398 1.00 0.00 O ATOM 953 CB PHE A 781 -19.567 -3.283 5.435 1.00 0.00 C ATOM 954 CG PHE A 781 -18.097 -2.982 5.541 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.158 -4.004 5.541 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.655 -1.674 5.641 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.809 -3.722 5.639 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.308 -1.387 5.740 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.383 -2.412 5.739 1.00 0.00 C ATOM 0 H PHE A 781 -18.906 -3.593 3.061 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.493 -5.417 5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.067 -2.438 4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.982 -3.376 6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.485 -5.030 5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.373 -0.867 5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.088 -4.526 5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.978 -0.362 5.818 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.329 -2.190 5.816 1.00 0.00 H new ATOM 969 N ASP A 782 -21.946 -4.232 3.401 1.00 0.00 N ATOM 970 CA ASP A 782 -23.381 -4.321 3.155 1.00 0.00 C ATOM 971 C ASP A 782 -23.737 -5.623 2.441 1.00 0.00 C ATOM 972 O ASP A 782 -24.879 -6.081 2.499 1.00 0.00 O ATOM 973 CB ASP A 782 -23.850 -3.126 2.323 1.00 0.00 C ATOM 974 CG ASP A 782 -24.374 -1.993 3.183 1.00 0.00 C ATOM 975 OD1 ASP A 782 -23.779 -1.735 4.251 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.377 -1.363 2.789 1.00 0.00 O ATOM 0 H ASP A 782 -21.418 -3.776 2.657 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.889 -4.309 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.022 -2.763 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.633 -3.449 1.637 1.00 0.00 H new