USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 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 754 CYS SG : rot -88:sc= 0.51 USER MOD Set 1.2: A 801 THR OG1 : rot 100:sc= 0.00807 USER MOD Single : A 757 TYR OH : rot 180:sc= 0 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot -57:sc= 0.24 USER MOD Single : A 763 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.8) USER MOD Single : A 766 SER OG : rot 10:sc= -0.142 USER MOD Single : A 776 HIS : no HE2:sc= -0.162 X(o=-0.16,f=-0.19) USER MOD Single : A 780 SER OG : rot 180:sc= 0.0872 USER MOD Single : A 781 SER OG : rot -21:sc= 0.0569 USER MOD Single : A 788 HIS : no HE2:sc= -5.35! C(o=-5.3!,f=-5.3!) USER MOD Single : A 789 ASN : amide:sc= -1.13! C(o=-1.1!,f=-5.1!) USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HD1:sc= -1.4! C(o=-1.4!,f=-7!) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 749 -8.292 1.438 -4.896 1.00 0.00 N ATOM 105 CA VAL A 749 -7.789 2.606 -5.609 1.00 0.00 C ATOM 106 C VAL A 749 -6.386 2.357 -6.151 1.00 0.00 C ATOM 107 O VAL A 749 -5.418 2.306 -5.393 1.00 0.00 O ATOM 108 CB VAL A 749 -7.763 3.850 -4.701 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.261 5.063 -5.469 1.00 0.00 C ATOM 110 CG2 VAL A 749 -9.144 4.112 -4.118 1.00 0.00 C ATOM 0 HA VAL A 749 -8.470 2.786 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 749 -7.075 3.662 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -7.250 5.932 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.252 4.871 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.921 5.257 -6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -9.108 4.994 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.855 4.279 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.460 3.251 -3.530 1.00 0.00 H new ATOM 120 N GLU A 750 -6.284 2.204 -7.467 1.00 0.00 N ATOM 121 CA GLU A 750 -4.998 1.959 -8.110 1.00 0.00 C ATOM 122 C GLU A 750 -4.234 3.265 -8.312 1.00 0.00 C ATOM 123 O GLU A 750 -4.806 4.275 -8.720 1.00 0.00 O ATOM 124 CB GLU A 750 -5.200 1.261 -9.457 1.00 0.00 C ATOM 125 CG GLU A 750 -5.407 -0.240 -9.339 1.00 0.00 C ATOM 126 CD GLU A 750 -6.041 -0.840 -10.579 1.00 0.00 C ATOM 127 OE1 GLU A 750 -5.488 -0.644 -11.681 1.00 0.00 O ATOM 128 OE2 GLU A 750 -7.089 -1.506 -10.447 1.00 0.00 O ATOM 0 H GLU A 750 -7.076 2.245 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.412 1.311 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.062 1.700 -9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.333 1.451 -10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.447 -0.722 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.038 -0.449 -8.475 1.00 0.00 H new ATOM 135 N ALA A 751 -2.937 3.235 -8.021 1.00 0.00 N ATOM 136 CA ALA A 751 -2.094 4.415 -8.172 1.00 0.00 C ATOM 137 C ALA A 751 -0.861 4.104 -9.013 1.00 0.00 C ATOM 138 O ALA A 751 -0.422 2.956 -9.090 1.00 0.00 O ATOM 139 CB ALA A 751 -1.683 4.947 -6.807 1.00 0.00 C ATOM 0 H ALA A 751 -2.448 2.407 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.672 5.181 -8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.054 5.828 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.573 5.216 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.127 4.179 -6.269 1.00 0.00 H new ATOM 145 N VAL A 752 -0.306 5.134 -9.645 1.00 0.00 N ATOM 146 CA VAL A 752 0.877 4.971 -10.481 1.00 0.00 C ATOM 147 C VAL A 752 2.134 5.430 -9.750 1.00 0.00 C ATOM 148 O VAL A 752 2.166 6.516 -9.171 1.00 0.00 O ATOM 149 CB VAL A 752 0.746 5.758 -11.798 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.012 5.622 -12.630 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.469 5.286 -12.582 1.00 0.00 C ATOM 0 H VAL A 752 -0.657 6.090 -9.594 1.00 0.00 H new ATOM 0 HA VAL A 752 0.960 3.908 -10.708 1.00 0.00 H new ATOM 0 HB VAL A 752 0.609 6.812 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 752 1.901 6.185 -13.557 1.00 0.00 H new ATOM 0 HG12 VAL A 752 2.860 6.013 -12.068 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.184 4.571 -12.862 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.546 5.853 -13.510 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.364 4.226 -12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.369 5.441 -11.987 1.00 0.00 H new ATOM 161 N ALA A 753 3.168 4.596 -9.782 1.00 0.00 N ATOM 162 CA ALA A 753 4.429 4.917 -9.125 1.00 0.00 C ATOM 163 C ALA A 753 5.112 6.103 -9.797 1.00 0.00 C ATOM 164 O ALA A 753 5.684 5.970 -10.879 1.00 0.00 O ATOM 165 CB ALA A 753 5.349 3.705 -9.127 1.00 0.00 C ATOM 0 H ALA A 753 3.157 3.693 -10.256 1.00 0.00 H new ATOM 0 HA ALA A 753 4.212 5.193 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.287 3.959 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 753 4.870 2.883 -8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.550 3.403 -10.155 1.00 0.00 H new ATOM 171 N CYS A 754 5.047 7.261 -9.150 1.00 0.00 N ATOM 172 CA CYS A 754 5.658 8.472 -9.686 1.00 0.00 C ATOM 173 C CYS A 754 7.162 8.288 -9.867 1.00 0.00 C ATOM 174 O CYS A 754 7.715 8.604 -10.920 1.00 0.00 O ATOM 175 CB CYS A 754 5.385 9.659 -8.762 1.00 0.00 C ATOM 176 SG CYS A 754 5.325 11.256 -9.609 1.00 0.00 S ATOM 0 H CYS A 754 4.577 7.387 -8.253 1.00 0.00 H new ATOM 0 HA CYS A 754 5.214 8.671 -10.661 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.437 9.496 -8.249 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.160 9.695 -7.996 1.00 0.00 H new ATOM 0 HG CYS A 754 6.522 11.760 -9.669 1.00 0.00 H new ATOM 182 N PHE A 755 7.818 7.777 -8.831 1.00 0.00 N ATOM 183 CA PHE A 755 9.259 7.554 -8.873 1.00 0.00 C ATOM 184 C PHE A 755 9.611 6.171 -8.332 1.00 0.00 C ATOM 185 O PHE A 755 8.920 5.638 -7.464 1.00 0.00 O ATOM 186 CB PHE A 755 9.987 8.631 -8.067 1.00 0.00 C ATOM 187 CG PHE A 755 9.941 9.990 -8.703 1.00 0.00 C ATOM 188 CD1 PHE A 755 8.854 10.826 -8.503 1.00 0.00 C ATOM 189 CD2 PHE A 755 10.983 10.432 -9.501 1.00 0.00 C ATOM 190 CE1 PHE A 755 8.808 12.079 -9.087 1.00 0.00 C ATOM 191 CE2 PHE A 755 10.943 11.683 -10.087 1.00 0.00 C ATOM 192 CZ PHE A 755 9.854 12.507 -9.881 1.00 0.00 C ATOM 0 H PHE A 755 7.375 7.509 -7.952 1.00 0.00 H new ATOM 0 HA PHE A 755 9.580 7.610 -9.913 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.546 8.689 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.028 8.335 -7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 755 8.033 10.495 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 755 11.837 9.792 -9.667 1.00 0.00 H new ATOM 0 HE1 PHE A 755 7.956 12.722 -8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 755 11.763 12.016 -10.706 1.00 0.00 H new ATOM 0 HZ PHE A 755 9.820 13.484 -10.340 1.00 0.00 H new ATOM 202 N ALA A 756 10.691 5.597 -8.851 1.00 0.00 N ATOM 203 CA ALA A 756 11.137 4.277 -8.419 1.00 0.00 C ATOM 204 C ALA A 756 11.505 4.279 -6.940 1.00 0.00 C ATOM 205 O ALA A 756 12.190 5.184 -6.462 1.00 0.00 O ATOM 206 CB ALA A 756 12.320 3.819 -9.259 1.00 0.00 C ATOM 0 H ALA A 756 11.274 6.025 -9.571 1.00 0.00 H new ATOM 0 HA ALA A 756 10.313 3.578 -8.560 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.643 2.833 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.025 3.769 -10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.142 4.526 -9.147 1.00 0.00 H new ATOM 212 N TYR A 757 11.045 3.262 -6.219 1.00 0.00 N ATOM 213 CA TYR A 757 11.324 3.148 -4.793 1.00 0.00 C ATOM 214 C TYR A 757 11.853 1.759 -4.450 1.00 0.00 C ATOM 215 O TYR A 757 11.603 0.791 -5.169 1.00 0.00 O ATOM 216 CB TYR A 757 10.062 3.441 -3.980 1.00 0.00 C ATOM 217 CG TYR A 757 10.327 3.665 -2.509 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.626 4.931 -2.022 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.279 2.610 -1.605 1.00 0.00 C ATOM 220 CE1 TYR A 757 10.870 5.141 -0.678 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.520 2.811 -0.260 1.00 0.00 C ATOM 222 CZ TYR A 757 10.815 4.078 0.199 1.00 0.00 C ATOM 223 OH TYR A 757 11.058 4.281 1.538 1.00 0.00 O ATOM 0 H TYR A 757 10.477 2.505 -6.599 1.00 0.00 H new ATOM 0 HA TYR A 757 12.090 3.881 -4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.572 4.324 -4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.366 2.609 -4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 757 10.669 5.766 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.049 1.616 -1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.102 6.132 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.478 1.980 0.429 1.00 0.00 H new ATOM 0 HH TYR A 757 10.979 3.430 2.018 1.00 0.00 H new ATOM 233 N THR A 758 12.585 1.668 -3.344 1.00 0.00 N ATOM 234 CA THR A 758 13.150 0.398 -2.904 1.00 0.00 C ATOM 235 C THR A 758 12.907 0.174 -1.416 1.00 0.00 C ATOM 236 O THR A 758 13.672 0.643 -0.575 1.00 0.00 O ATOM 237 CB THR A 758 14.664 0.332 -3.181 1.00 0.00 C ATOM 238 OG1 THR A 758 14.911 0.447 -4.587 1.00 0.00 O ATOM 239 CG2 THR A 758 15.252 -0.972 -2.663 1.00 0.00 C ATOM 0 H THR A 758 12.800 2.459 -2.737 1.00 0.00 H new ATOM 0 HA THR A 758 12.649 -0.385 -3.473 1.00 0.00 H new ATOM 0 HB THR A 758 15.143 1.161 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 758 15.876 0.406 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.322 -0.996 -2.870 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.089 -1.043 -1.588 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.767 -1.812 -3.160 1.00 0.00 H new ATOM 247 N GLY A 759 11.836 -0.547 -1.099 1.00 0.00 N ATOM 248 CA GLY A 759 11.511 -0.821 0.289 1.00 0.00 C ATOM 249 C GLY A 759 12.738 -1.137 1.120 1.00 0.00 C ATOM 250 O GLY A 759 13.534 -2.004 0.759 1.00 0.00 O ATOM 0 H GLY A 759 11.188 -0.946 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 759 10.999 0.041 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 759 10.817 -1.660 0.338 1.00 0.00 H new ATOM 254 N ARG A 760 12.894 -0.430 2.235 1.00 0.00 N ATOM 255 CA ARG A 760 14.035 -0.638 3.118 1.00 0.00 C ATOM 256 C ARG A 760 13.893 -1.946 3.891 1.00 0.00 C ATOM 257 O ARG A 760 14.858 -2.696 4.048 1.00 0.00 O ATOM 258 CB ARG A 760 14.171 0.532 4.094 1.00 0.00 C ATOM 259 CG ARG A 760 14.862 1.747 3.496 1.00 0.00 C ATOM 260 CD ARG A 760 15.184 2.784 4.560 1.00 0.00 C ATOM 261 NE ARG A 760 15.211 4.138 4.014 1.00 0.00 N ATOM 262 CZ ARG A 760 15.517 5.214 4.731 1.00 0.00 C ATOM 263 NH1 ARG A 760 15.821 5.094 6.016 1.00 0.00 N ATOM 264 NH2 ARG A 760 15.520 6.413 4.162 1.00 0.00 N ATOM 0 H ARG A 760 12.245 0.292 2.548 1.00 0.00 H new ATOM 0 HA ARG A 760 14.933 -0.696 2.503 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.179 0.822 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 760 14.730 0.201 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 760 15.781 1.436 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.222 2.192 2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 760 14.442 2.729 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.150 2.555 5.009 1.00 0.00 H new ATOM 0 HE ARG A 760 14.982 4.265 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 760 15.820 4.174 6.456 1.00 0.00 H new ATOM 0 HH12 ARG A 760 16.056 5.922 6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 760 15.287 6.509 3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 760 15.755 7.238 4.713 1.00 0.00 H new ATOM 278 N THR A 761 12.684 -2.214 4.375 1.00 0.00 N ATOM 279 CA THR A 761 12.416 -3.429 5.133 1.00 0.00 C ATOM 280 C THR A 761 11.227 -4.187 4.554 1.00 0.00 C ATOM 281 O THR A 761 10.517 -3.679 3.687 1.00 0.00 O ATOM 282 CB THR A 761 12.138 -3.117 6.615 1.00 0.00 C ATOM 283 OG1 THR A 761 10.944 -2.336 6.736 1.00 0.00 O ATOM 284 CG2 THR A 761 13.306 -2.366 7.238 1.00 0.00 C ATOM 0 H THR A 761 11.875 -1.605 4.255 1.00 0.00 H new ATOM 0 HA THR A 761 13.309 -4.049 5.061 1.00 0.00 H new ATOM 0 HB THR A 761 12.009 -4.061 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.037 -1.513 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.087 -2.156 8.285 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.208 -2.975 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.461 -1.428 6.705 1.00 0.00 H new ATOM 292 N ALA A 762 11.015 -5.406 5.039 1.00 0.00 N ATOM 293 CA ALA A 762 9.909 -6.233 4.572 1.00 0.00 C ATOM 294 C ALA A 762 8.593 -5.463 4.609 1.00 0.00 C ATOM 295 O ALA A 762 7.743 -5.628 3.735 1.00 0.00 O ATOM 296 CB ALA A 762 9.806 -7.499 5.409 1.00 0.00 C ATOM 0 H ALA A 762 11.595 -5.843 5.755 1.00 0.00 H new ATOM 0 HA ALA A 762 10.108 -6.511 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 762 8.976 -8.107 5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.733 -8.066 5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.635 -7.233 6.452 1.00 0.00 H new ATOM 302 N GLN A 763 8.433 -4.624 5.627 1.00 0.00 N ATOM 303 CA GLN A 763 7.219 -3.830 5.778 1.00 0.00 C ATOM 304 C GLN A 763 6.951 -3.002 4.526 1.00 0.00 C ATOM 305 O GLN A 763 5.824 -2.951 4.035 1.00 0.00 O ATOM 306 CB GLN A 763 7.333 -2.913 6.997 1.00 0.00 C ATOM 307 CG GLN A 763 6.837 -3.548 8.285 1.00 0.00 C ATOM 308 CD GLN A 763 5.471 -4.189 8.132 1.00 0.00 C ATOM 309 OE1 GLN A 763 5.361 -5.391 7.887 1.00 0.00 O ATOM 310 NE2 GLN A 763 4.422 -3.388 8.276 1.00 0.00 N ATOM 0 H GLN A 763 9.128 -4.476 6.359 1.00 0.00 H new ATOM 0 HA GLN A 763 6.383 -4.514 5.924 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.375 -2.620 7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.766 -2.001 6.809 1.00 0.00 H new ATOM 0 HG2 GLN A 763 7.553 -4.302 8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 763 6.792 -2.789 9.066 1.00 0.00 H new ATOM 0 HE21 GLN A 763 4.560 -2.398 8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 763 3.478 -3.763 8.184 1.00 0.00 H new ATOM 319 N GLU A 764 7.994 -2.355 4.016 1.00 0.00 N ATOM 320 CA GLU A 764 7.870 -1.528 2.821 1.00 0.00 C ATOM 321 C GLU A 764 7.918 -2.384 1.559 1.00 0.00 C ATOM 322 O GLU A 764 8.351 -3.537 1.594 1.00 0.00 O ATOM 323 CB GLU A 764 8.983 -0.479 2.782 1.00 0.00 C ATOM 324 CG GLU A 764 8.829 0.611 3.830 1.00 0.00 C ATOM 325 CD GLU A 764 8.641 0.054 5.228 1.00 0.00 C ATOM 326 OE1 GLU A 764 7.519 -0.397 5.541 1.00 0.00 O ATOM 327 OE2 GLU A 764 9.616 0.068 6.008 1.00 0.00 O ATOM 0 H GLU A 764 8.934 -2.387 4.411 1.00 0.00 H new ATOM 0 HA GLU A 764 6.905 -1.022 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.943 -0.975 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.004 -0.020 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 764 9.710 1.252 3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.974 1.237 3.575 1.00 0.00 H new ATOM 334 N LEU A 765 7.471 -1.813 0.447 1.00 0.00 N ATOM 335 CA LEU A 765 7.463 -2.523 -0.828 1.00 0.00 C ATOM 336 C LEU A 765 8.411 -1.864 -1.825 1.00 0.00 C ATOM 337 O LEU A 765 9.010 -0.828 -1.535 1.00 0.00 O ATOM 338 CB LEU A 765 6.046 -2.562 -1.403 1.00 0.00 C ATOM 339 CG LEU A 765 5.091 -3.574 -0.769 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.655 -3.279 -1.172 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.478 -4.992 -1.164 1.00 0.00 C ATOM 0 H LEU A 765 7.109 -0.860 0.401 1.00 0.00 H new ATOM 0 HA LEU A 765 7.805 -3.543 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.608 -1.569 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.114 -2.776 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 765 5.167 -3.487 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.990 -4.010 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.382 -2.278 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.562 -3.337 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.788 -5.699 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.432 -5.093 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.492 -5.201 -0.823 1.00 0.00 H new ATOM 353 N SER A 766 8.540 -2.470 -3.001 1.00 0.00 N ATOM 354 CA SER A 766 9.416 -1.943 -4.040 1.00 0.00 C ATOM 355 C SER A 766 8.732 -1.991 -5.403 1.00 0.00 C ATOM 356 O SER A 766 7.937 -2.890 -5.680 1.00 0.00 O ATOM 357 CB SER A 766 10.723 -2.736 -4.085 1.00 0.00 C ATOM 358 OG SER A 766 11.743 -2.002 -4.741 1.00 0.00 O ATOM 0 H SER A 766 8.049 -3.326 -3.258 1.00 0.00 H new ATOM 0 HA SER A 766 9.638 -0.903 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.040 -2.978 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 766 10.561 -3.681 -4.603 1.00 0.00 H new ATOM 0 HG SER A 766 11.443 -1.080 -4.882 1.00 0.00 H new ATOM 364 N PHE A 767 9.046 -1.017 -6.251 1.00 0.00 N ATOM 365 CA PHE A 767 8.462 -0.946 -7.585 1.00 0.00 C ATOM 366 C PHE A 767 9.173 0.102 -8.435 1.00 0.00 C ATOM 367 O PHE A 767 9.829 1.002 -7.910 1.00 0.00 O ATOM 368 CB PHE A 767 6.970 -0.619 -7.495 1.00 0.00 C ATOM 369 CG PHE A 767 6.663 0.532 -6.580 1.00 0.00 C ATOM 370 CD1 PHE A 767 6.897 1.836 -6.984 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.140 0.309 -5.316 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.615 2.898 -6.145 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.856 1.367 -4.473 1.00 0.00 C ATOM 374 CZ PHE A 767 6.095 2.663 -4.888 1.00 0.00 C ATOM 0 H PHE A 767 9.702 -0.266 -6.038 1.00 0.00 H new ATOM 0 HA PHE A 767 8.586 -1.919 -8.061 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.596 -0.390 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.433 -1.502 -7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.305 2.025 -7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.952 -0.702 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 767 6.801 3.910 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.448 1.181 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 767 5.875 3.491 -4.230 1.00 0.00 H new ATOM 384 N ARG A 768 9.039 -0.022 -9.752 1.00 0.00 N ATOM 385 CA ARG A 768 9.670 0.912 -10.676 1.00 0.00 C ATOM 386 C ARG A 768 8.642 1.879 -11.257 1.00 0.00 C ATOM 387 O ARG A 768 7.511 1.495 -11.552 1.00 0.00 O ATOM 388 CB ARG A 768 10.367 0.153 -11.806 1.00 0.00 C ATOM 389 CG ARG A 768 11.798 -0.244 -11.480 1.00 0.00 C ATOM 390 CD ARG A 768 12.530 -0.751 -12.713 1.00 0.00 C ATOM 391 NE ARG A 768 13.029 0.343 -13.541 1.00 0.00 N ATOM 392 CZ ARG A 768 13.815 0.166 -14.598 1.00 0.00 C ATOM 393 NH1 ARG A 768 14.188 -1.056 -14.953 1.00 0.00 N ATOM 394 NH2 ARG A 768 14.229 1.212 -15.302 1.00 0.00 N ATOM 0 H ARG A 768 8.499 -0.761 -10.203 1.00 0.00 H new ATOM 0 HA ARG A 768 10.412 1.486 -10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.793 -0.745 -12.037 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.366 0.772 -12.703 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.329 0.613 -11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 768 11.796 -1.018 -10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 768 13.364 -1.382 -12.406 1.00 0.00 H new ATOM 0 HD3 ARG A 768 11.858 -1.375 -13.303 1.00 0.00 H new ATOM 0 HE ARG A 768 12.760 1.295 -13.295 1.00 0.00 H new ATOM 0 HH11 ARG A 768 13.872 -1.862 -14.415 1.00 0.00 H new ATOM 0 HH12 ARG A 768 14.791 -1.190 -15.765 1.00 0.00 H new ATOM 0 HH21 ARG A 768 13.944 2.153 -15.032 1.00 0.00 H new ATOM 0 HH22 ARG A 768 14.832 1.074 -16.113 1.00 0.00 H new ATOM 408 N ARG A 769 9.045 3.136 -11.417 1.00 0.00 N ATOM 409 CA ARG A 769 8.159 4.158 -11.961 1.00 0.00 C ATOM 410 C ARG A 769 7.237 3.569 -13.025 1.00 0.00 C ATOM 411 O ARG A 769 7.696 2.967 -13.994 1.00 0.00 O ATOM 412 CB ARG A 769 8.975 5.306 -12.558 1.00 0.00 C ATOM 413 CG ARG A 769 8.128 6.358 -13.254 1.00 0.00 C ATOM 414 CD ARG A 769 8.982 7.501 -13.781 1.00 0.00 C ATOM 415 NE ARG A 769 8.169 8.592 -14.311 1.00 0.00 N ATOM 416 CZ ARG A 769 8.670 9.755 -14.712 1.00 0.00 C ATOM 417 NH1 ARG A 769 9.976 9.977 -14.643 1.00 0.00 N ATOM 418 NH2 ARG A 769 7.866 10.699 -15.183 1.00 0.00 N ATOM 0 H ARG A 769 9.978 3.470 -11.178 1.00 0.00 H new ATOM 0 HA ARG A 769 7.546 4.542 -11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.551 5.782 -11.764 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.692 4.899 -13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.582 5.900 -14.079 1.00 0.00 H new ATOM 0 HG3 ARG A 769 7.386 6.748 -12.558 1.00 0.00 H new ATOM 0 HD2 ARG A 769 9.617 7.878 -12.980 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.643 7.129 -14.563 1.00 0.00 H new ATOM 0 HE ARG A 769 7.161 8.453 -14.377 1.00 0.00 H new ATOM 0 HH11 ARG A 769 10.598 9.254 -14.281 1.00 0.00 H new ATOM 0 HH12 ARG A 769 10.358 10.871 -14.952 1.00 0.00 H new ATOM 0 HH21 ARG A 769 6.861 10.532 -15.238 1.00 0.00 H new ATOM 0 HH22 ARG A 769 8.253 11.591 -15.490 1.00 0.00 H new ATOM 432 N GLY A 770 5.933 3.747 -12.835 1.00 0.00 N ATOM 433 CA GLY A 770 4.968 3.227 -13.786 1.00 0.00 C ATOM 434 C GLY A 770 4.185 2.053 -13.233 1.00 0.00 C ATOM 435 O GLY A 770 2.990 1.914 -13.498 1.00 0.00 O ATOM 0 H GLY A 770 5.528 4.242 -12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.276 4.021 -14.068 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.487 2.919 -14.694 1.00 0.00 H new ATOM 439 N ASP A 771 4.858 1.204 -12.465 1.00 0.00 N ATOM 440 CA ASP A 771 4.218 0.034 -11.874 1.00 0.00 C ATOM 441 C ASP A 771 3.042 0.445 -10.993 1.00 0.00 C ATOM 442 O ASP A 771 3.223 1.090 -9.959 1.00 0.00 O ATOM 443 CB ASP A 771 5.230 -0.768 -11.053 1.00 0.00 C ATOM 444 CG ASP A 771 6.335 -1.354 -11.910 1.00 0.00 C ATOM 445 OD1 ASP A 771 6.766 -0.677 -12.867 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.769 -2.488 -11.622 1.00 0.00 O ATOM 0 H ASP A 771 5.847 1.304 -12.237 1.00 0.00 H new ATOM 0 HA ASP A 771 3.842 -0.591 -12.684 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.668 -0.123 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.713 -1.573 -10.531 1.00 0.00 H new ATOM 451 N VAL A 772 1.837 0.070 -11.410 1.00 0.00 N ATOM 452 CA VAL A 772 0.632 0.399 -10.659 1.00 0.00 C ATOM 453 C VAL A 772 0.507 -0.468 -9.411 1.00 0.00 C ATOM 454 O VAL A 772 0.803 -1.663 -9.440 1.00 0.00 O ATOM 455 CB VAL A 772 -0.632 0.222 -11.522 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.874 0.614 -10.736 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.522 1.038 -12.801 1.00 0.00 C ATOM 0 H VAL A 772 1.670 -0.462 -12.264 1.00 0.00 H new ATOM 0 HA VAL A 772 0.719 1.445 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.720 -0.830 -11.795 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.757 0.483 -11.361 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.959 -0.017 -9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.797 1.658 -10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.423 0.901 -13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.409 2.093 -12.551 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.345 0.705 -13.371 1.00 0.00 H new ATOM 467 N LEU A 773 0.067 0.141 -8.316 1.00 0.00 N ATOM 468 CA LEU A 773 -0.098 -0.575 -7.056 1.00 0.00 C ATOM 469 C LEU A 773 -1.493 -0.351 -6.481 1.00 0.00 C ATOM 470 O LEU A 773 -1.962 0.783 -6.387 1.00 0.00 O ATOM 471 CB LEU A 773 0.960 -0.123 -6.048 1.00 0.00 C ATOM 472 CG LEU A 773 2.290 0.349 -6.636 1.00 0.00 C ATOM 473 CD1 LEU A 773 2.982 1.313 -5.685 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.189 -0.839 -6.942 1.00 0.00 C ATOM 0 H LEU A 773 -0.182 1.129 -8.275 1.00 0.00 H new ATOM 0 HA LEU A 773 0.027 -1.640 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.542 0.688 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.160 -0.950 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 773 2.087 0.875 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.927 1.638 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.343 2.180 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.173 0.813 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.131 -0.484 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.385 -1.393 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.696 -1.492 -7.662 1.00 0.00 H new ATOM 486 N ARG A 774 -2.151 -1.440 -6.097 1.00 0.00 N ATOM 487 CA ARG A 774 -3.492 -1.363 -5.530 1.00 0.00 C ATOM 488 C ARG A 774 -3.442 -0.904 -4.076 1.00 0.00 C ATOM 489 O ARG A 774 -2.751 -1.500 -3.248 1.00 0.00 O ATOM 490 CB ARG A 774 -4.187 -2.723 -5.623 1.00 0.00 C ATOM 491 CG ARG A 774 -4.743 -3.030 -7.004 1.00 0.00 C ATOM 492 CD ARG A 774 -4.889 -4.527 -7.226 1.00 0.00 C ATOM 493 NE ARG A 774 -4.896 -4.872 -8.645 1.00 0.00 N ATOM 494 CZ ARG A 774 -5.980 -4.813 -9.410 1.00 0.00 C ATOM 495 NH1 ARG A 774 -7.138 -4.423 -8.896 1.00 0.00 N ATOM 496 NH2 ARG A 774 -5.906 -5.143 -10.693 1.00 0.00 N ATOM 0 H ARG A 774 -1.777 -2.386 -6.168 1.00 0.00 H new ATOM 0 HA ARG A 774 -4.061 -0.632 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.479 -3.503 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -5.000 -2.756 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.713 -2.547 -7.122 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -4.084 -2.611 -7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -4.070 -5.048 -6.730 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -5.814 -4.873 -6.764 1.00 0.00 H new ATOM 0 HE ARG A 774 -4.021 -5.175 -9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -7.198 -4.167 -7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -7.969 -4.379 -9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -5.016 -5.442 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -6.739 -5.098 -11.280 1.00 0.00 H new ATOM 510 N LEU A 775 -4.178 0.159 -3.771 1.00 0.00 N ATOM 511 CA LEU A 775 -4.217 0.700 -2.417 1.00 0.00 C ATOM 512 C LEU A 775 -5.322 0.039 -1.599 1.00 0.00 C ATOM 513 O LEU A 775 -6.480 0.456 -1.648 1.00 0.00 O ATOM 514 CB LEU A 775 -4.433 2.214 -2.457 1.00 0.00 C ATOM 515 CG LEU A 775 -3.442 3.011 -3.306 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.764 4.496 -3.249 1.00 0.00 C ATOM 517 CD2 LEU A 775 -2.016 2.754 -2.843 1.00 0.00 C ATOM 0 H LEU A 775 -4.756 0.663 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.260 0.488 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.439 2.408 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.394 2.594 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.532 2.681 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -3.048 5.047 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.771 4.665 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.704 4.842 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.324 3.329 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.912 3.056 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.789 1.692 -2.937 1.00 0.00 H new ATOM 529 N HIS A 776 -4.957 -0.994 -0.846 1.00 0.00 N ATOM 530 CA HIS A 776 -5.917 -1.712 -0.015 1.00 0.00 C ATOM 531 C HIS A 776 -6.597 -0.765 0.970 1.00 0.00 C ATOM 532 O HIS A 776 -7.822 -0.656 0.994 1.00 0.00 O ATOM 533 CB HIS A 776 -5.221 -2.842 0.744 1.00 0.00 C ATOM 534 CG HIS A 776 -4.805 -3.984 -0.131 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.762 -5.291 0.307 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.415 -4.010 -1.426 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.361 -6.071 -0.681 1.00 0.00 C ATOM 538 NE2 HIS A 776 -4.144 -5.318 -1.744 1.00 0.00 N ATOM 0 H HIS A 776 -4.003 -1.352 -0.794 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.679 -2.138 -0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.341 -2.442 1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -5.891 -3.214 1.519 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -5.002 -5.606 1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.332 -3.160 -2.087 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -4.233 -7.142 -0.628 1.00 0.00 H new ATOM 546 N GLU A 777 -5.793 -0.084 1.780 1.00 0.00 N ATOM 547 CA GLU A 777 -6.319 0.852 2.767 1.00 0.00 C ATOM 548 C GLU A 777 -5.281 1.914 3.118 1.00 0.00 C ATOM 549 O GLU A 777 -4.084 1.722 2.901 1.00 0.00 O ATOM 550 CB GLU A 777 -6.747 0.105 4.033 1.00 0.00 C ATOM 551 CG GLU A 777 -7.900 0.768 4.769 1.00 0.00 C ATOM 552 CD GLU A 777 -9.254 0.271 4.301 1.00 0.00 C ATOM 553 OE1 GLU A 777 -9.549 0.405 3.095 1.00 0.00 O ATOM 554 OE2 GLU A 777 -10.018 -0.250 5.139 1.00 0.00 O ATOM 0 H GLU A 777 -4.776 -0.163 1.772 1.00 0.00 H new ATOM 0 HA GLU A 777 -7.188 1.347 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.034 -0.912 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -5.893 0.028 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.799 0.582 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.844 1.847 4.627 1.00 0.00 H new ATOM 561 N ARG A 778 -5.748 3.034 3.659 1.00 0.00 N ATOM 562 CA ARG A 778 -4.862 4.128 4.037 1.00 0.00 C ATOM 563 C ARG A 778 -4.071 3.777 5.294 1.00 0.00 C ATOM 564 O ARG A 778 -4.425 4.191 6.398 1.00 0.00 O ATOM 565 CB ARG A 778 -5.666 5.408 4.269 1.00 0.00 C ATOM 566 CG ARG A 778 -4.818 6.588 4.715 1.00 0.00 C ATOM 567 CD ARG A 778 -4.091 7.227 3.543 1.00 0.00 C ATOM 568 NE ARG A 778 -4.871 8.301 2.935 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.333 9.303 2.248 1.00 0.00 C ATOM 570 NH1 ARG A 778 -3.019 9.367 2.083 1.00 0.00 N ATOM 571 NH2 ARG A 778 -5.109 10.243 1.724 1.00 0.00 N ATOM 0 H ARG A 778 -6.736 3.208 3.846 1.00 0.00 H new ATOM 0 HA ARG A 778 -4.160 4.292 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -6.186 5.672 3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.430 5.215 5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.452 7.330 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -4.092 6.256 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -3.133 7.622 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -3.875 6.467 2.793 1.00 0.00 H new ATOM 0 HE ARG A 778 -5.885 8.281 3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -2.419 8.646 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -2.608 10.137 1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -6.120 10.197 1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -4.694 11.011 1.197 1.00 0.00 H new ATOM 585 N ALA A 779 -3.000 3.010 5.119 1.00 0.00 N ATOM 586 CA ALA A 779 -2.159 2.605 6.238 1.00 0.00 C ATOM 587 C ALA A 779 -1.901 3.774 7.183 1.00 0.00 C ATOM 588 O ALA A 779 -2.266 3.726 8.358 1.00 0.00 O ATOM 589 CB ALA A 779 -0.843 2.035 5.730 1.00 0.00 C ATOM 0 H ALA A 779 -2.694 2.657 4.212 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.687 1.831 6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.225 1.737 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.041 1.167 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.319 2.793 5.147 1.00 0.00 H new ATOM 595 N SER A 780 -1.271 4.822 6.663 1.00 0.00 N ATOM 596 CA SER A 780 -0.961 6.001 7.462 1.00 0.00 C ATOM 597 C SER A 780 -1.262 7.279 6.684 1.00 0.00 C ATOM 598 O SER A 780 -1.791 7.233 5.574 1.00 0.00 O ATOM 599 CB SER A 780 0.509 5.984 7.886 1.00 0.00 C ATOM 600 OG SER A 780 0.747 6.902 8.939 1.00 0.00 O ATOM 0 H SER A 780 -0.965 4.879 5.692 1.00 0.00 H new ATOM 0 HA SER A 780 -1.589 5.981 8.353 1.00 0.00 H new ATOM 0 HB2 SER A 780 0.787 4.980 8.205 1.00 0.00 H new ATOM 0 HB3 SER A 780 1.140 6.233 7.033 1.00 0.00 H new ATOM 0 HG SER A 780 1.693 6.871 9.193 1.00 0.00 H new ATOM 606 N SER A 781 -0.921 8.419 7.276 1.00 0.00 N ATOM 607 CA SER A 781 -1.158 9.710 6.642 1.00 0.00 C ATOM 608 C SER A 781 -0.103 9.994 5.576 1.00 0.00 C ATOM 609 O SER A 781 -0.283 10.866 4.726 1.00 0.00 O ATOM 610 CB SER A 781 -1.153 10.825 7.689 1.00 0.00 C ATOM 611 OG SER A 781 -1.569 12.057 7.125 1.00 0.00 O ATOM 0 H SER A 781 -0.480 8.475 8.194 1.00 0.00 H new ATOM 0 HA SER A 781 -2.136 9.676 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 781 -1.814 10.557 8.513 1.00 0.00 H new ATOM 0 HB3 SER A 781 -0.152 10.932 8.106 1.00 0.00 H new ATOM 0 HG SER A 781 -1.447 12.030 6.153 1.00 0.00 H new ATOM 617 N ASP A 782 0.996 9.250 5.628 1.00 0.00 N ATOM 618 CA ASP A 782 2.080 9.419 4.667 1.00 0.00 C ATOM 619 C ASP A 782 2.371 8.110 3.941 1.00 0.00 C ATOM 620 O ASP A 782 3.005 8.103 2.885 1.00 0.00 O ATOM 621 CB ASP A 782 3.343 9.917 5.373 1.00 0.00 C ATOM 622 CG ASP A 782 3.359 11.425 5.535 1.00 0.00 C ATOM 623 OD1 ASP A 782 3.140 12.132 4.529 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.591 11.897 6.667 1.00 0.00 O ATOM 0 H ASP A 782 1.160 8.524 6.325 1.00 0.00 H new ATOM 0 HA ASP A 782 1.768 10.160 3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.416 9.448 6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.220 9.606 4.805 1.00 0.00 H new ATOM 629 N TRP A 783 1.906 7.006 4.513 1.00 0.00 N ATOM 630 CA TRP A 783 2.117 5.691 3.919 1.00 0.00 C ATOM 631 C TRP A 783 0.791 5.054 3.520 1.00 0.00 C ATOM 632 O TRP A 783 -0.270 5.456 3.998 1.00 0.00 O ATOM 633 CB TRP A 783 2.860 4.780 4.899 1.00 0.00 C ATOM 634 CG TRP A 783 4.311 5.125 5.047 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.856 6.014 5.929 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.401 4.590 4.289 1.00 0.00 C ATOM 637 NE1 TRP A 783 6.220 6.063 5.765 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.579 5.198 4.766 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.497 3.654 3.255 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.834 4.900 4.243 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.744 3.360 2.737 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.899 3.980 3.231 1.00 0.00 C ATOM 0 H TRP A 783 1.380 6.995 5.387 1.00 0.00 H new ATOM 0 HA TRP A 783 2.722 5.818 3.021 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.378 4.839 5.875 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.772 3.747 4.562 1.00 0.00 H new ATOM 0 HD1 TRP A 783 4.298 6.593 6.649 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.861 6.649 6.301 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.613 3.170 2.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.725 5.378 4.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.830 2.639 1.937 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.859 3.728 2.806 1.00 0.00 H new ATOM 653 N TRP A 784 0.858 4.059 2.643 1.00 0.00 N ATOM 654 CA TRP A 784 -0.340 3.366 2.180 1.00 0.00 C ATOM 655 C TRP A 784 -0.167 1.855 2.281 1.00 0.00 C ATOM 656 O TRP A 784 0.927 1.363 2.558 1.00 0.00 O ATOM 657 CB TRP A 784 -0.656 3.761 0.737 1.00 0.00 C ATOM 658 CG TRP A 784 -1.179 5.159 0.604 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.471 6.317 0.754 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.523 5.546 0.297 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.293 7.400 0.558 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.557 6.954 0.276 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.701 4.840 0.036 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.722 7.666 0.006 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -4.856 5.548 -0.232 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.861 6.950 -0.246 1.00 0.00 C ATOM 0 H TRP A 784 1.728 3.714 2.238 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.172 3.661 2.820 1.00 0.00 H new ATOM 0 HB2 TRP A 784 0.247 3.660 0.134 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.391 3.066 0.330 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.581 6.373 0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -1.008 8.378 0.613 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -3.708 3.760 0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.727 8.746 -0.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.772 5.012 -0.434 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.781 7.475 -0.460 1.00 0.00 H new ATOM 677 N ARG A 785 -1.254 1.123 2.055 1.00 0.00 N ATOM 678 CA ARG A 785 -1.222 -0.333 2.121 1.00 0.00 C ATOM 679 C ARG A 785 -1.608 -0.947 0.779 1.00 0.00 C ATOM 680 O ARG A 785 -2.741 -0.805 0.322 1.00 0.00 O ATOM 681 CB ARG A 785 -2.167 -0.835 3.215 1.00 0.00 C ATOM 682 CG ARG A 785 -1.503 -0.978 4.575 1.00 0.00 C ATOM 683 CD ARG A 785 -2.528 -0.970 5.698 1.00 0.00 C ATOM 684 NE ARG A 785 -1.987 -1.524 6.936 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.760 -2.820 7.124 1.00 0.00 C ATOM 686 NH1 ARG A 785 -2.025 -3.689 6.159 1.00 0.00 N ATOM 687 NH2 ARG A 785 -1.266 -3.247 8.279 1.00 0.00 N ATOM 0 H ARG A 785 -2.167 1.515 1.825 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.204 -0.639 2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.008 -0.147 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.575 -1.801 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.933 -1.907 4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -0.794 -0.164 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -2.864 0.052 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -3.403 -1.546 5.395 1.00 0.00 H new ATOM 0 HE ARG A 785 -1.772 -0.881 7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -2.404 -3.364 5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -1.850 -4.683 6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -1.060 -2.581 9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -1.092 -4.242 8.423 1.00 0.00 H new ATOM 701 N GLY A 786 -0.655 -1.630 0.151 1.00 0.00 N ATOM 702 CA GLY A 786 -0.915 -2.255 -1.133 1.00 0.00 C ATOM 703 C GLY A 786 -0.250 -3.611 -1.263 1.00 0.00 C ATOM 704 O GLY A 786 0.417 -4.073 -0.338 1.00 0.00 O ATOM 0 H GLY A 786 0.291 -1.761 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -1.991 -2.367 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.560 -1.602 -1.930 1.00 0.00 H new ATOM 708 N GLU A 787 -0.434 -4.251 -2.413 1.00 0.00 N ATOM 709 CA GLU A 787 0.151 -5.564 -2.658 1.00 0.00 C ATOM 710 C GLU A 787 0.791 -5.625 -4.042 1.00 0.00 C ATOM 711 O GLU A 787 0.101 -5.574 -5.061 1.00 0.00 O ATOM 712 CB GLU A 787 -0.915 -6.654 -2.530 1.00 0.00 C ATOM 713 CG GLU A 787 -0.541 -7.956 -3.219 1.00 0.00 C ATOM 714 CD GLU A 787 -1.696 -8.936 -3.281 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.328 -9.177 -2.231 1.00 0.00 O ATOM 716 OE2 GLU A 787 -1.968 -9.463 -4.380 1.00 0.00 O ATOM 0 H GLU A 787 -0.983 -3.882 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 787 0.926 -5.733 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -1.096 -6.851 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -1.851 -6.286 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.197 -7.741 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.293 -8.416 -2.689 1.00 0.00 H new ATOM 723 N HIS A 788 2.116 -5.733 -4.070 1.00 0.00 N ATOM 724 CA HIS A 788 2.851 -5.800 -5.328 1.00 0.00 C ATOM 725 C HIS A 788 2.794 -7.207 -5.916 1.00 0.00 C ATOM 726 O HIS A 788 2.139 -8.092 -5.368 1.00 0.00 O ATOM 727 CB HIS A 788 4.306 -5.381 -5.116 1.00 0.00 C ATOM 728 CG HIS A 788 4.923 -4.730 -6.316 1.00 0.00 C ATOM 729 ND1 HIS A 788 6.285 -4.587 -6.477 1.00 0.00 N ATOM 730 CD2 HIS A 788 4.356 -4.184 -7.416 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.528 -3.979 -7.625 1.00 0.00 C ATOM 732 NE2 HIS A 788 5.374 -3.724 -8.214 1.00 0.00 N ATOM 0 H HIS A 788 2.702 -5.776 -3.236 1.00 0.00 H new ATOM 0 HA HIS A 788 2.382 -5.112 -6.032 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.358 -4.693 -4.272 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.893 -6.259 -4.847 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.994 -4.901 -5.814 1.00 0.00 H new ATOM 0 HD2 HIS A 788 3.299 -4.122 -7.627 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.504 -3.733 -8.015 1.00 0.00 H new ATOM 740 N ASN A 789 3.485 -7.404 -7.034 1.00 0.00 N ATOM 741 CA ASN A 789 3.512 -8.703 -7.697 1.00 0.00 C ATOM 742 C ASN A 789 3.974 -9.794 -6.736 1.00 0.00 C ATOM 743 O ASN A 789 5.172 -10.005 -6.549 1.00 0.00 O ATOM 744 CB ASN A 789 4.435 -8.657 -8.917 1.00 0.00 C ATOM 745 CG ASN A 789 4.592 -10.015 -9.574 1.00 0.00 C ATOM 746 OD1 ASN A 789 4.030 -11.009 -9.112 1.00 0.00 O ATOM 747 ND2 ASN A 789 5.358 -10.063 -10.657 1.00 0.00 N ATOM 0 H ASN A 789 4.034 -6.681 -7.500 1.00 0.00 H new ATOM 0 HA ASN A 789 2.499 -8.937 -8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.037 -7.949 -9.644 1.00 0.00 H new ATOM 0 HB3 ASN A 789 5.415 -8.287 -8.614 1.00 0.00 H new ATOM 0 HD21 ASN A 789 5.501 -10.949 -11.142 1.00 0.00 H new ATOM 0 HD22 ASN A 789 5.804 -9.214 -11.004 1.00 0.00 H new ATOM 754 N GLY A 790 3.015 -10.486 -6.129 1.00 0.00 N ATOM 755 CA GLY A 790 3.343 -11.548 -5.196 1.00 0.00 C ATOM 756 C GLY A 790 3.943 -11.022 -3.907 1.00 0.00 C ATOM 757 O GLY A 790 4.485 -11.786 -3.110 1.00 0.00 O ATOM 0 H GLY A 790 2.016 -10.330 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.442 -12.118 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 790 4.046 -12.236 -5.666 1.00 0.00 H new ATOM 761 N MET A 791 3.849 -9.712 -3.704 1.00 0.00 N ATOM 762 CA MET A 791 4.388 -9.084 -2.503 1.00 0.00 C ATOM 763 C MET A 791 3.328 -8.234 -1.811 1.00 0.00 C ATOM 764 O MET A 791 2.400 -7.739 -2.452 1.00 0.00 O ATOM 765 CB MET A 791 5.602 -8.221 -2.854 1.00 0.00 C ATOM 766 CG MET A 791 6.924 -8.967 -2.764 1.00 0.00 C ATOM 767 SD MET A 791 7.205 -9.688 -1.136 1.00 0.00 S ATOM 768 CE MET A 791 8.624 -8.744 -0.587 1.00 0.00 C ATOM 0 H MET A 791 3.405 -9.065 -4.355 1.00 0.00 H new ATOM 0 HA MET A 791 4.698 -9.874 -1.818 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.481 -7.833 -3.865 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.633 -7.362 -2.184 1.00 0.00 H new ATOM 0 HG2 MET A 791 6.943 -9.757 -3.515 1.00 0.00 H new ATOM 0 HG3 MET A 791 7.739 -8.283 -3.000 1.00 0.00 H new ATOM 0 HE1 MET A 791 8.918 -9.075 0.409 1.00 0.00 H new ATOM 0 HE2 MET A 791 9.452 -8.896 -1.279 1.00 0.00 H new ATOM 0 HE3 MET A 791 8.367 -7.685 -0.556 1.00 0.00 H new ATOM 778 N ARG A 792 3.471 -8.068 -0.500 1.00 0.00 N ATOM 779 CA ARG A 792 2.524 -7.279 0.278 1.00 0.00 C ATOM 780 C ARG A 792 3.252 -6.406 1.297 1.00 0.00 C ATOM 781 O ARG A 792 4.135 -6.876 2.013 1.00 0.00 O ATOM 782 CB ARG A 792 1.531 -8.196 0.994 1.00 0.00 C ATOM 783 CG ARG A 792 0.632 -8.976 0.048 1.00 0.00 C ATOM 784 CD ARG A 792 -0.509 -9.651 0.794 1.00 0.00 C ATOM 785 NE ARG A 792 -0.147 -10.989 1.252 1.00 0.00 N ATOM 786 CZ ARG A 792 -0.028 -12.036 0.443 1.00 0.00 C ATOM 787 NH1 ARG A 792 -0.240 -11.900 -0.858 1.00 0.00 N ATOM 788 NH2 ARG A 792 0.304 -13.222 0.936 1.00 0.00 N ATOM 0 H ARG A 792 4.234 -8.470 0.045 1.00 0.00 H new ATOM 0 HA ARG A 792 1.980 -6.630 -0.408 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.083 -8.898 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.910 -7.596 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.227 -8.303 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.220 -9.728 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.794 -9.040 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -1.381 -9.714 0.143 1.00 0.00 H new ATOM 0 HE ARG A 792 0.024 -11.128 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -0.495 -10.990 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -0.148 -12.706 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 792 0.468 -13.330 1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 792 0.395 -14.025 0.314 1.00 0.00 H new ATOM 802 N GLY A 793 2.875 -5.133 1.354 1.00 0.00 N ATOM 803 CA GLY A 793 3.502 -4.215 2.287 1.00 0.00 C ATOM 804 C GLY A 793 2.948 -2.808 2.177 1.00 0.00 C ATOM 805 O GLY A 793 1.840 -2.606 1.680 1.00 0.00 O ATOM 0 H GLY A 793 2.147 -4.721 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.358 -4.580 3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.576 -4.194 2.105 1.00 0.00 H new ATOM 809 N LEU A 794 3.720 -1.832 2.643 1.00 0.00 N ATOM 810 CA LEU A 794 3.299 -0.436 2.597 1.00 0.00 C ATOM 811 C LEU A 794 3.665 0.199 1.259 1.00 0.00 C ATOM 812 O LEU A 794 4.281 -0.441 0.405 1.00 0.00 O ATOM 813 CB LEU A 794 3.944 0.350 3.740 1.00 0.00 C ATOM 814 CG LEU A 794 3.605 -0.123 5.154 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.659 0.351 6.142 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.226 0.373 5.565 1.00 0.00 C ATOM 0 H LEU A 794 4.640 -1.982 3.057 1.00 0.00 H new ATOM 0 HA LEU A 794 2.215 -0.405 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 794 5.026 0.312 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.649 1.395 3.647 1.00 0.00 H new ATOM 0 HG LEU A 794 3.595 -1.213 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.401 0.005 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.631 -0.052 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.701 1.440 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 794 2.001 0.027 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.210 1.463 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.479 -0.015 4.873 1.00 0.00 H new ATOM 828 N ILE A 795 3.284 1.459 1.083 1.00 0.00 N ATOM 829 CA ILE A 795 3.575 2.181 -0.149 1.00 0.00 C ATOM 830 C ILE A 795 3.767 3.670 0.118 1.00 0.00 C ATOM 831 O ILE A 795 2.975 4.309 0.810 1.00 0.00 O ATOM 832 CB ILE A 795 2.451 1.998 -1.187 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.520 0.600 -1.804 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.550 3.065 -2.267 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.308 0.247 -2.637 1.00 0.00 C ATOM 0 H ILE A 795 2.772 2.002 1.779 1.00 0.00 H new ATOM 0 HA ILE A 795 4.500 1.764 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 795 1.490 2.105 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.412 0.530 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.630 -0.135 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.750 2.923 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.457 4.052 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.514 2.986 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.426 -0.758 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.415 0.284 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.209 0.960 -3.456 1.00 0.00 H new ATOM 847 N PRO A 796 4.845 4.237 -0.445 1.00 0.00 N ATOM 848 CA PRO A 796 5.166 5.658 -0.283 1.00 0.00 C ATOM 849 C PRO A 796 4.184 6.562 -1.021 1.00 0.00 C ATOM 850 O PRO A 796 3.972 6.413 -2.225 1.00 0.00 O ATOM 851 CB PRO A 796 6.565 5.777 -0.894 1.00 0.00 C ATOM 852 CG PRO A 796 6.650 4.652 -1.868 1.00 0.00 C ATOM 853 CD PRO A 796 5.832 3.535 -1.282 1.00 0.00 C ATOM 0 HA PRO A 796 5.113 5.972 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.701 6.739 -1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.339 5.699 -0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 796 6.263 4.949 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.684 4.342 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.350 2.940 -2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.446 2.854 -0.693 1.00 0.00 H new ATOM 861 N HIS A 797 3.587 7.499 -0.292 1.00 0.00 N ATOM 862 CA HIS A 797 2.627 8.428 -0.878 1.00 0.00 C ATOM 863 C HIS A 797 3.343 9.538 -1.641 1.00 0.00 C ATOM 864 O HIS A 797 2.706 10.390 -2.261 1.00 0.00 O ATOM 865 CB HIS A 797 1.740 9.032 0.211 1.00 0.00 C ATOM 866 CG HIS A 797 0.805 10.087 -0.295 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.509 9.831 -0.628 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.999 11.407 -0.523 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.081 10.948 -1.040 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.188 11.919 -0.986 1.00 0.00 N ATOM 0 H HIS A 797 3.751 7.635 0.705 1.00 0.00 H new ATOM 0 HA HIS A 797 2.002 7.874 -1.578 1.00 0.00 H new ATOM 0 HB2 HIS A 797 1.159 8.237 0.677 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.373 9.461 0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.917 11.955 -0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.106 11.050 -1.366 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.353 12.891 -1.246 1.00 0.00 H new ATOM 878 N LYS A 798 4.670 9.523 -1.591 1.00 0.00 N ATOM 879 CA LYS A 798 5.474 10.528 -2.278 1.00 0.00 C ATOM 880 C LYS A 798 5.925 10.023 -3.644 1.00 0.00 C ATOM 881 O LYS A 798 6.099 10.804 -4.580 1.00 0.00 O ATOM 882 CB LYS A 798 6.693 10.901 -1.432 1.00 0.00 C ATOM 883 CG LYS A 798 7.695 11.778 -2.163 1.00 0.00 C ATOM 884 CD LYS A 798 7.375 13.253 -1.992 1.00 0.00 C ATOM 885 CE LYS A 798 8.443 14.133 -2.623 1.00 0.00 C ATOM 886 NZ LYS A 798 8.339 15.547 -2.167 1.00 0.00 N ATOM 0 H LYS A 798 5.213 8.826 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 798 4.856 11.414 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 798 6.357 11.419 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 798 7.192 9.988 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 798 8.698 11.577 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 798 7.695 11.525 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 798 6.408 13.471 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 798 7.290 13.487 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 798 9.429 13.743 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 798 8.351 14.094 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 9.084 16.114 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 7.407 15.928 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 8.453 15.588 -1.134 1.00 0.00 H new ATOM 900 N TYR A 799 6.113 8.712 -3.753 1.00 0.00 N ATOM 901 CA TYR A 799 6.545 8.103 -5.005 1.00 0.00 C ATOM 902 C TYR A 799 5.355 7.546 -5.780 1.00 0.00 C ATOM 903 O TYR A 799 5.523 6.823 -6.762 1.00 0.00 O ATOM 904 CB TYR A 799 7.556 6.987 -4.731 1.00 0.00 C ATOM 905 CG TYR A 799 8.878 7.487 -4.193 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.930 8.282 -3.055 1.00 0.00 C ATOM 907 CD2 TYR A 799 10.073 7.164 -4.822 1.00 0.00 C ATOM 908 CE1 TYR A 799 10.135 8.742 -2.559 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.283 7.617 -4.333 1.00 0.00 C ATOM 910 CZ TYR A 799 11.309 8.406 -3.201 1.00 0.00 C ATOM 911 OH TYR A 799 12.512 8.861 -2.712 1.00 0.00 O ATOM 0 H TYR A 799 5.973 8.051 -2.989 1.00 0.00 H new ATOM 0 HA TYR A 799 7.020 8.875 -5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 799 7.125 6.285 -4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.734 6.435 -5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 799 8.013 8.545 -2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 799 10.056 6.548 -5.709 1.00 0.00 H new ATOM 0 HE1 TYR A 799 10.158 9.361 -1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.203 7.355 -4.834 1.00 0.00 H new ATOM 0 HH TYR A 799 13.241 8.533 -3.279 1.00 0.00 H new ATOM 921 N ILE A 800 4.152 7.890 -5.331 1.00 0.00 N ATOM 922 CA ILE A 800 2.933 7.427 -5.982 1.00 0.00 C ATOM 923 C ILE A 800 1.952 8.576 -6.191 1.00 0.00 C ATOM 924 O ILE A 800 1.695 9.363 -5.280 1.00 0.00 O ATOM 925 CB ILE A 800 2.243 6.320 -5.163 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.825 6.855 -3.792 1.00 0.00 C ATOM 927 CG2 ILE A 800 3.166 5.120 -5.011 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.440 7.462 -3.777 1.00 0.00 C ATOM 0 H ILE A 800 3.996 8.488 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 800 3.226 7.022 -6.950 1.00 0.00 H new ATOM 0 HB ILE A 800 1.347 5.999 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 800 1.865 6.043 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 800 2.546 7.606 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.664 4.346 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.418 4.728 -5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 800 4.078 5.425 -4.498 1.00 0.00 H new ATOM 0 HD11 ILE A 800 0.211 7.820 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 800 0.401 8.296 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 800 -0.291 6.708 -4.069 1.00 0.00 H new ATOM 940 N THR A 801 1.404 8.665 -7.399 1.00 0.00 N ATOM 941 CA THR A 801 0.450 9.717 -7.729 1.00 0.00 C ATOM 942 C THR A 801 -0.977 9.181 -7.740 1.00 0.00 C ATOM 943 O THR A 801 -1.325 8.328 -8.559 1.00 0.00 O ATOM 944 CB THR A 801 0.760 10.346 -9.100 1.00 0.00 C ATOM 945 OG1 THR A 801 2.041 10.986 -9.067 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.308 11.359 -9.485 1.00 0.00 C ATOM 0 H THR A 801 1.604 8.022 -8.165 1.00 0.00 H new ATOM 0 HA THR A 801 0.543 10.481 -6.957 1.00 0.00 H new ATOM 0 HB THR A 801 0.770 9.551 -9.846 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.709 10.403 -9.485 1.00 0.00 H new ATOM 0 HG21 THR A 801 -0.067 11.790 -10.457 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.277 10.863 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.345 12.151 -8.737 1.00 0.00 H new ATOM 954 N LEU A 802 -1.801 9.685 -6.828 1.00 0.00 N ATOM 955 CA LEU A 802 -3.192 9.257 -6.733 1.00 0.00 C ATOM 956 C LEU A 802 -3.999 9.759 -7.926 1.00 0.00 C ATOM 957 O LEU A 802 -3.649 10.747 -8.573 1.00 0.00 O ATOM 958 CB LEU A 802 -3.815 9.766 -5.432 1.00 0.00 C ATOM 959 CG LEU A 802 -3.402 9.029 -4.157 1.00 0.00 C ATOM 960 CD1 LEU A 802 -4.188 9.548 -2.963 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.602 7.530 -4.319 1.00 0.00 C ATOM 0 H LEU A 802 -1.530 10.391 -6.143 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.212 8.167 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.559 10.819 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -4.900 9.710 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.343 9.216 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.881 9.012 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.994 10.613 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -5.253 9.391 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.303 7.022 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.653 7.323 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -2.994 7.169 -5.149 1.00 0.00 H new ATOM 973 N PRO A 803 -5.106 9.065 -8.226 1.00 0.00 N ATOM 974 CA PRO A 803 -5.988 9.423 -9.342 1.00 0.00 C ATOM 975 C PRO A 803 -6.751 10.718 -9.085 1.00 0.00 C ATOM 976 O PRO A 803 -6.835 11.582 -9.956 1.00 0.00 O ATOM 977 CB PRO A 803 -6.955 8.239 -9.423 1.00 0.00 C ATOM 978 CG PRO A 803 -6.968 7.665 -8.049 1.00 0.00 C ATOM 979 CD PRO A 803 -5.584 7.877 -7.499 1.00 0.00 C ATOM 0 HA PRO A 803 -5.431 9.600 -10.262 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -7.951 8.562 -9.727 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.621 7.504 -10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.715 8.158 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.221 6.605 -8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.601 8.045 -6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -4.944 7.013 -7.677 1.00 0.00 H new