USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 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 788 HIS : no HE2:sc= -2.01 X(o=-1.4,f=-1.1) USER MOD Set 1.2: A 789 ASN : amide:sc= 0.613 K(o=-1.4,f=-2.3) USER MOD Single : A 754 CYS SG : rot -104:sc= 0.675 USER MOD Single : A 757 TYR OH : rot 180:sc= 0.0297 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 761 THR OG1 : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 766 SER OG : rot 180:sc= 0 USER MOD Single : A 776 HIS : no HE2:sc= -1.9! C(o=-1.9!,f=-3!) USER MOD Single : A 780 SER OG : rot 127:sc= -0.245 USER MOD Single : A 781 SER OG : rot -15:sc= 0.302 USER MOD Single : A 791 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 797 HIS : no HD1:sc= -0.878 K(o=-0.88,f=-7.4!) USER MOD Single : A 798 LYS NZ :NH3+ -171:sc=-0.00769 (180deg=-0.15) USER MOD Single : A 799 TYR OH : rot 180:sc= 0 USER MOD Single : A 801 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 749 -8.312 1.599 -4.733 1.00 0.00 N ATOM 105 CA VAL A 749 -7.774 2.723 -5.490 1.00 0.00 C ATOM 106 C VAL A 749 -6.419 2.378 -6.097 1.00 0.00 C ATOM 107 O VAL A 749 -5.482 2.021 -5.384 1.00 0.00 O ATOM 108 CB VAL A 749 -7.625 3.975 -4.606 1.00 0.00 C ATOM 109 CG1 VAL A 749 -7.007 5.118 -5.398 1.00 0.00 C ATOM 110 CG2 VAL A 749 -8.972 4.383 -4.029 1.00 0.00 C ATOM 0 HA VAL A 749 -8.484 2.935 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 749 -6.958 3.736 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 749 -6.910 5.994 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -6.022 4.820 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -7.646 5.359 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 749 -8.848 5.269 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 749 -9.664 4.604 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 749 -9.371 3.568 -3.424 1.00 0.00 H new ATOM 120 N GLU A 750 -6.323 2.488 -7.418 1.00 0.00 N ATOM 121 CA GLU A 750 -5.081 2.187 -8.121 1.00 0.00 C ATOM 122 C GLU A 750 -4.212 3.435 -8.249 1.00 0.00 C ATOM 123 O GLU A 750 -4.649 4.457 -8.778 1.00 0.00 O ATOM 124 CB GLU A 750 -5.380 1.616 -9.509 1.00 0.00 C ATOM 125 CG GLU A 750 -5.673 0.125 -9.503 1.00 0.00 C ATOM 126 CD GLU A 750 -6.531 -0.305 -10.677 1.00 0.00 C ATOM 127 OE1 GLU A 750 -7.680 0.172 -10.780 1.00 0.00 O ATOM 128 OE2 GLU A 750 -6.052 -1.120 -11.494 1.00 0.00 O ATOM 0 H GLU A 750 -7.090 2.783 -8.023 1.00 0.00 H new ATOM 0 HA GLU A 750 -4.536 1.443 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -6.234 2.144 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.529 1.808 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.733 -0.426 -9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -6.177 -0.139 -8.573 1.00 0.00 H new ATOM 135 N ALA A 751 -2.980 3.344 -7.760 1.00 0.00 N ATOM 136 CA ALA A 751 -2.049 4.464 -7.820 1.00 0.00 C ATOM 137 C ALA A 751 -0.847 4.132 -8.698 1.00 0.00 C ATOM 138 O ALA A 751 -0.556 2.963 -8.953 1.00 0.00 O ATOM 139 CB ALA A 751 -1.593 4.847 -6.420 1.00 0.00 C ATOM 0 H ALA A 751 -2.603 2.506 -7.318 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.568 5.313 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.898 5.685 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -2.458 5.135 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.096 3.996 -5.954 1.00 0.00 H new ATOM 145 N VAL A 752 -0.153 5.167 -9.159 1.00 0.00 N ATOM 146 CA VAL A 752 1.018 4.985 -10.009 1.00 0.00 C ATOM 147 C VAL A 752 2.292 5.412 -9.288 1.00 0.00 C ATOM 148 O VAL A 752 2.290 6.372 -8.518 1.00 0.00 O ATOM 149 CB VAL A 752 0.891 5.785 -11.319 1.00 0.00 C ATOM 150 CG1 VAL A 752 2.150 5.639 -12.159 1.00 0.00 C ATOM 151 CG2 VAL A 752 -0.336 5.336 -12.099 1.00 0.00 C ATOM 0 H VAL A 752 -0.381 6.141 -8.958 1.00 0.00 H new ATOM 0 HA VAL A 752 1.075 3.922 -10.245 1.00 0.00 H new ATOM 0 HB VAL A 752 0.770 6.839 -11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 752 2.041 6.211 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 752 3.007 6.013 -11.599 1.00 0.00 H new ATOM 0 HG13 VAL A 752 2.306 4.588 -12.401 1.00 0.00 H new ATOM 0 HG21 VAL A 752 -0.411 5.911 -13.022 1.00 0.00 H new ATOM 0 HG22 VAL A 752 -0.247 4.276 -12.338 1.00 0.00 H new ATOM 0 HG23 VAL A 752 -1.230 5.499 -11.497 1.00 0.00 H new ATOM 161 N ALA A 753 3.379 4.691 -9.543 1.00 0.00 N ATOM 162 CA ALA A 753 4.661 4.996 -8.920 1.00 0.00 C ATOM 163 C ALA A 753 5.359 6.148 -9.636 1.00 0.00 C ATOM 164 O ALA A 753 6.049 5.943 -10.636 1.00 0.00 O ATOM 165 CB ALA A 753 5.550 3.762 -8.911 1.00 0.00 C ATOM 0 H ALA A 753 3.397 3.892 -10.177 1.00 0.00 H new ATOM 0 HA ALA A 753 4.473 5.303 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 753 6.504 4.004 -8.443 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.062 2.966 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 753 5.722 3.430 -9.935 1.00 0.00 H new ATOM 171 N CYS A 754 5.175 7.358 -9.120 1.00 0.00 N ATOM 172 CA CYS A 754 5.786 8.543 -9.711 1.00 0.00 C ATOM 173 C CYS A 754 7.284 8.338 -9.913 1.00 0.00 C ATOM 174 O CYS A 754 7.839 8.712 -10.947 1.00 0.00 O ATOM 175 CB CYS A 754 5.541 9.765 -8.826 1.00 0.00 C ATOM 176 SG CYS A 754 5.578 11.339 -9.713 1.00 0.00 S ATOM 0 H CYS A 754 4.607 7.544 -8.293 1.00 0.00 H new ATOM 0 HA CYS A 754 5.326 8.712 -10.685 1.00 0.00 H new ATOM 0 HB2 CYS A 754 4.572 9.658 -8.338 1.00 0.00 H new ATOM 0 HB3 CYS A 754 6.294 9.786 -8.038 1.00 0.00 H new ATOM 0 HG CYS A 754 6.700 11.949 -9.468 1.00 0.00 H new ATOM 182 N PHE A 755 7.934 7.744 -8.918 1.00 0.00 N ATOM 183 CA PHE A 755 9.369 7.493 -8.985 1.00 0.00 C ATOM 184 C PHE A 755 9.701 6.096 -8.467 1.00 0.00 C ATOM 185 O PHE A 755 8.953 5.521 -7.677 1.00 0.00 O ATOM 186 CB PHE A 755 10.131 8.544 -8.175 1.00 0.00 C ATOM 187 CG PHE A 755 9.773 9.956 -8.539 1.00 0.00 C ATOM 188 CD1 PHE A 755 10.283 10.540 -9.687 1.00 0.00 C ATOM 189 CD2 PHE A 755 8.926 10.700 -7.733 1.00 0.00 C ATOM 190 CE1 PHE A 755 9.956 11.840 -10.023 1.00 0.00 C ATOM 191 CE2 PHE A 755 8.595 12.000 -8.065 1.00 0.00 C ATOM 192 CZ PHE A 755 9.110 12.571 -9.212 1.00 0.00 C ATOM 0 H PHE A 755 7.490 7.428 -8.056 1.00 0.00 H new ATOM 0 HA PHE A 755 9.676 7.557 -10.029 1.00 0.00 H new ATOM 0 HB2 PHE A 755 9.932 8.389 -7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 755 11.201 8.399 -8.323 1.00 0.00 H new ATOM 0 HD1 PHE A 755 10.943 9.973 -10.326 1.00 0.00 H new ATOM 0 HD2 PHE A 755 8.520 10.259 -6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 755 10.362 12.284 -10.920 1.00 0.00 H new ATOM 0 HE2 PHE A 755 7.934 12.569 -7.428 1.00 0.00 H new ATOM 0 HZ PHE A 755 8.852 13.586 -9.474 1.00 0.00 H new ATOM 202 N ALA A 756 10.829 5.557 -8.919 1.00 0.00 N ATOM 203 CA ALA A 756 11.261 4.229 -8.501 1.00 0.00 C ATOM 204 C ALA A 756 11.663 4.220 -7.030 1.00 0.00 C ATOM 205 O ALA A 756 12.351 5.127 -6.559 1.00 0.00 O ATOM 206 CB ALA A 756 12.417 3.753 -9.368 1.00 0.00 C ATOM 0 H ALA A 756 11.459 6.019 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 756 10.421 3.545 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 756 12.729 2.760 -9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 756 12.098 3.712 -10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 756 13.253 4.446 -9.272 1.00 0.00 H new ATOM 212 N TYR A 757 11.230 3.192 -6.309 1.00 0.00 N ATOM 213 CA TYR A 757 11.542 3.067 -4.890 1.00 0.00 C ATOM 214 C TYR A 757 12.042 1.663 -4.564 1.00 0.00 C ATOM 215 O TYR A 757 11.707 0.696 -5.249 1.00 0.00 O ATOM 216 CB TYR A 757 10.309 3.391 -4.045 1.00 0.00 C ATOM 217 CG TYR A 757 10.619 3.610 -2.581 1.00 0.00 C ATOM 218 CD1 TYR A 757 10.998 4.862 -2.111 1.00 0.00 C ATOM 219 CD2 TYR A 757 10.535 2.566 -1.669 1.00 0.00 C ATOM 220 CE1 TYR A 757 11.282 5.067 -0.775 1.00 0.00 C ATOM 221 CE2 TYR A 757 10.817 2.762 -0.331 1.00 0.00 C ATOM 222 CZ TYR A 757 11.190 4.015 0.111 1.00 0.00 C ATOM 223 OH TYR A 757 11.473 4.214 1.443 1.00 0.00 O ATOM 0 H TYR A 757 10.662 2.433 -6.684 1.00 0.00 H new ATOM 0 HA TYR A 757 12.333 3.779 -4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 757 9.830 4.285 -4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 757 9.591 2.576 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 757 11.072 5.689 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 757 10.244 1.584 -2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 757 11.575 6.046 -0.426 1.00 0.00 H new ATOM 0 HE2 TYR A 757 10.746 1.939 0.365 1.00 0.00 H new ATOM 0 HH TYR A 757 11.359 3.372 1.931 1.00 0.00 H new ATOM 233 N THR A 758 12.847 1.558 -3.511 1.00 0.00 N ATOM 234 CA THR A 758 13.394 0.274 -3.092 1.00 0.00 C ATOM 235 C THR A 758 13.179 0.045 -1.600 1.00 0.00 C ATOM 236 O THR A 758 14.010 0.425 -0.777 1.00 0.00 O ATOM 237 CB THR A 758 14.900 0.177 -3.402 1.00 0.00 C ATOM 238 OG1 THR A 758 15.117 0.285 -4.813 1.00 0.00 O ATOM 239 CG2 THR A 758 15.473 -1.137 -2.895 1.00 0.00 C ATOM 0 H THR A 758 13.134 2.348 -2.933 1.00 0.00 H new ATOM 0 HA THR A 758 12.864 -0.494 -3.655 1.00 0.00 H new ATOM 0 HB THR A 758 15.407 0.997 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 758 16.077 0.224 -5.002 1.00 0.00 H new ATOM 0 HG21 THR A 758 16.537 -1.183 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 758 15.332 -1.203 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 758 14.961 -1.968 -3.380 1.00 0.00 H new ATOM 247 N GLY A 759 12.056 -0.581 -1.258 1.00 0.00 N ATOM 248 CA GLY A 759 11.752 -0.850 0.135 1.00 0.00 C ATOM 249 C GLY A 759 12.989 -1.187 0.944 1.00 0.00 C ATOM 250 O GLY A 759 13.815 -1.996 0.519 1.00 0.00 O ATOM 0 H GLY A 759 11.352 -0.906 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 759 11.262 0.021 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 759 11.045 -1.677 0.196 1.00 0.00 H new ATOM 254 N ARG A 760 13.119 -0.566 2.111 1.00 0.00 N ATOM 255 CA ARG A 760 14.265 -0.802 2.980 1.00 0.00 C ATOM 256 C ARG A 760 14.106 -2.112 3.746 1.00 0.00 C ATOM 257 O ARG A 760 15.070 -2.854 3.938 1.00 0.00 O ATOM 258 CB ARG A 760 14.437 0.359 3.961 1.00 0.00 C ATOM 259 CG ARG A 760 15.023 1.610 3.328 1.00 0.00 C ATOM 260 CD ARG A 760 16.526 1.485 3.136 1.00 0.00 C ATOM 261 NE ARG A 760 17.231 1.346 4.407 1.00 0.00 N ATOM 262 CZ ARG A 760 18.543 1.507 4.542 1.00 0.00 C ATOM 263 NH1 ARG A 760 19.288 1.812 3.488 1.00 0.00 N ATOM 264 NH2 ARG A 760 19.111 1.364 5.732 1.00 0.00 N ATOM 0 H ARG A 760 12.444 0.105 2.477 1.00 0.00 H new ATOM 0 HA ARG A 760 15.155 -0.873 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 760 13.468 0.602 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 760 15.083 0.040 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 760 14.546 1.789 2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 760 14.806 2.473 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 760 16.740 0.621 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 760 16.898 2.364 2.609 1.00 0.00 H new ATOM 0 HE ARG A 760 16.686 1.112 5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 760 18.854 1.923 2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 760 20.295 1.935 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 760 18.541 1.130 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 760 20.118 1.488 5.835 1.00 0.00 H new ATOM 278 N THR A 761 12.882 -2.390 4.184 1.00 0.00 N ATOM 279 CA THR A 761 12.596 -3.608 4.931 1.00 0.00 C ATOM 280 C THR A 761 11.388 -4.337 4.353 1.00 0.00 C ATOM 281 O THR A 761 10.672 -3.799 3.509 1.00 0.00 O ATOM 282 CB THR A 761 12.335 -3.307 6.419 1.00 0.00 C ATOM 283 OG1 THR A 761 11.231 -2.404 6.550 1.00 0.00 O ATOM 284 CG2 THR A 761 13.569 -2.704 7.073 1.00 0.00 C ATOM 0 H THR A 761 12.073 -1.788 4.034 1.00 0.00 H new ATOM 0 HA THR A 761 13.477 -4.244 4.846 1.00 0.00 H new ATOM 0 HB THR A 761 12.098 -4.245 6.921 1.00 0.00 H new ATOM 0 HG1 THR A 761 11.071 -2.219 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 761 13.361 -2.500 8.123 1.00 0.00 H new ATOM 0 HG22 THR A 761 14.400 -3.405 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 761 13.831 -1.774 6.568 1.00 0.00 H new ATOM 292 N ALA A 762 11.168 -5.564 4.812 1.00 0.00 N ATOM 293 CA ALA A 762 10.045 -6.366 4.342 1.00 0.00 C ATOM 294 C ALA A 762 8.755 -5.553 4.335 1.00 0.00 C ATOM 295 O ALA A 762 8.007 -5.568 3.358 1.00 0.00 O ATOM 296 CB ALA A 762 9.883 -7.607 5.208 1.00 0.00 C ATOM 0 H ALA A 762 11.753 -6.025 5.509 1.00 0.00 H new ATOM 0 HA ALA A 762 10.255 -6.675 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 762 9.041 -8.196 4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 762 10.792 -8.206 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 762 9.700 -7.309 6.240 1.00 0.00 H new ATOM 302 N GLN A 763 8.501 -4.844 5.430 1.00 0.00 N ATOM 303 CA GLN A 763 7.300 -4.025 5.549 1.00 0.00 C ATOM 304 C GLN A 763 7.083 -3.192 4.290 1.00 0.00 C ATOM 305 O GLN A 763 5.987 -3.169 3.731 1.00 0.00 O ATOM 306 CB GLN A 763 7.400 -3.110 6.771 1.00 0.00 C ATOM 307 CG GLN A 763 6.880 -3.745 8.050 1.00 0.00 C ATOM 308 CD GLN A 763 6.736 -2.746 9.181 1.00 0.00 C ATOM 309 OE1 GLN A 763 5.733 -2.038 9.276 1.00 0.00 O ATOM 310 NE2 GLN A 763 7.741 -2.682 10.047 1.00 0.00 N ATOM 0 H GLN A 763 9.111 -4.820 6.247 1.00 0.00 H new ATOM 0 HA GLN A 763 6.446 -4.691 5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 763 8.442 -2.823 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 763 6.841 -2.195 6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 763 5.913 -4.208 7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 763 7.558 -4.541 8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 763 8.554 -3.287 9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 763 7.700 -2.028 10.828 1.00 0.00 H new ATOM 319 N GLU A 764 8.135 -2.507 3.851 1.00 0.00 N ATOM 320 CA GLU A 764 8.057 -1.671 2.659 1.00 0.00 C ATOM 321 C GLU A 764 8.097 -2.523 1.393 1.00 0.00 C ATOM 322 O GLU A 764 8.619 -3.639 1.399 1.00 0.00 O ATOM 323 CB GLU A 764 9.206 -0.660 2.643 1.00 0.00 C ATOM 324 CG GLU A 764 9.173 0.317 3.806 1.00 0.00 C ATOM 325 CD GLU A 764 10.544 0.868 4.144 1.00 0.00 C ATOM 326 OE1 GLU A 764 11.167 1.492 3.260 1.00 0.00 O ATOM 327 OE2 GLU A 764 10.995 0.675 5.293 1.00 0.00 O ATOM 0 H GLU A 764 9.050 -2.515 4.302 1.00 0.00 H new ATOM 0 HA GLU A 764 7.109 -1.133 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 764 10.153 -1.199 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 764 9.173 -0.100 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.504 1.142 3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 764 8.760 -0.182 4.683 1.00 0.00 H new ATOM 334 N LEU A 765 7.542 -1.989 0.311 1.00 0.00 N ATOM 335 CA LEU A 765 7.514 -2.700 -0.963 1.00 0.00 C ATOM 336 C LEU A 765 8.491 -2.078 -1.955 1.00 0.00 C ATOM 337 O LEU A 765 9.084 -1.033 -1.687 1.00 0.00 O ATOM 338 CB LEU A 765 6.099 -2.684 -1.546 1.00 0.00 C ATOM 339 CG LEU A 765 5.082 -3.599 -0.863 1.00 0.00 C ATOM 340 CD1 LEU A 765 3.667 -3.233 -1.285 1.00 0.00 C ATOM 341 CD2 LEU A 765 5.375 -5.057 -1.183 1.00 0.00 C ATOM 0 H LEU A 765 7.106 -1.067 0.290 1.00 0.00 H new ATOM 0 HA LEU A 765 7.816 -3.732 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 765 5.723 -1.662 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 765 6.158 -2.961 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 765 5.166 -3.461 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 765 2.957 -3.895 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 765 3.459 -2.201 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 765 3.570 -3.341 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 765 4.641 -5.693 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 765 5.321 -5.211 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 765 6.374 -5.313 -0.830 1.00 0.00 H new ATOM 353 N SER A 766 8.654 -2.728 -3.104 1.00 0.00 N ATOM 354 CA SER A 766 9.561 -2.240 -4.136 1.00 0.00 C ATOM 355 C SER A 766 8.886 -2.256 -5.504 1.00 0.00 C ATOM 356 O SER A 766 8.223 -3.227 -5.871 1.00 0.00 O ATOM 357 CB SER A 766 10.832 -3.091 -4.171 1.00 0.00 C ATOM 358 OG SER A 766 10.520 -4.470 -4.266 1.00 0.00 O ATOM 0 H SER A 766 8.170 -3.593 -3.343 1.00 0.00 H new ATOM 0 HA SER A 766 9.828 -1.211 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 766 11.448 -2.795 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 766 11.420 -2.909 -3.271 1.00 0.00 H new ATOM 0 HG SER A 766 11.349 -4.992 -4.288 1.00 0.00 H new ATOM 364 N PHE A 767 9.061 -1.174 -6.256 1.00 0.00 N ATOM 365 CA PHE A 767 8.468 -1.062 -7.584 1.00 0.00 C ATOM 366 C PHE A 767 9.216 -0.035 -8.428 1.00 0.00 C ATOM 367 O PHE A 767 9.926 0.821 -7.899 1.00 0.00 O ATOM 368 CB PHE A 767 6.992 -0.674 -7.476 1.00 0.00 C ATOM 369 CG PHE A 767 6.738 0.453 -6.515 1.00 0.00 C ATOM 370 CD1 PHE A 767 7.047 1.759 -6.861 1.00 0.00 C ATOM 371 CD2 PHE A 767 6.190 0.206 -5.267 1.00 0.00 C ATOM 372 CE1 PHE A 767 6.813 2.798 -5.980 1.00 0.00 C ATOM 373 CE2 PHE A 767 5.955 1.241 -4.381 1.00 0.00 C ATOM 374 CZ PHE A 767 6.267 2.538 -4.738 1.00 0.00 C ATOM 0 H PHE A 767 9.608 -0.363 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 767 8.545 -2.033 -8.073 1.00 0.00 H new ATOM 0 HB2 PHE A 767 6.626 -0.389 -8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 767 6.417 -1.545 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 767 7.476 1.967 -7.830 1.00 0.00 H new ATOM 0 HD2 PHE A 767 5.944 -0.806 -4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 767 7.057 3.812 -6.262 1.00 0.00 H new ATOM 0 HE2 PHE A 767 5.528 1.035 -3.411 1.00 0.00 H new ATOM 0 HZ PHE A 767 6.084 3.348 -4.047 1.00 0.00 H new ATOM 384 N ARG A 768 9.052 -0.126 -9.743 1.00 0.00 N ATOM 385 CA ARG A 768 9.712 0.794 -10.662 1.00 0.00 C ATOM 386 C ARG A 768 8.723 1.816 -11.213 1.00 0.00 C ATOM 387 O ARG A 768 7.572 1.487 -11.502 1.00 0.00 O ATOM 388 CB ARG A 768 10.359 0.022 -11.813 1.00 0.00 C ATOM 389 CG ARG A 768 11.398 -0.991 -11.360 1.00 0.00 C ATOM 390 CD ARG A 768 12.256 -1.467 -12.521 1.00 0.00 C ATOM 391 NE ARG A 768 13.406 -0.595 -12.745 1.00 0.00 N ATOM 392 CZ ARG A 768 14.036 -0.493 -13.911 1.00 0.00 C ATOM 393 NH1 ARG A 768 13.628 -1.205 -14.952 1.00 0.00 N ATOM 394 NH2 ARG A 768 15.075 0.323 -14.036 1.00 0.00 N ATOM 0 H ARG A 768 8.467 -0.828 -10.197 1.00 0.00 H new ATOM 0 HA ARG A 768 10.487 1.326 -10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 768 9.581 -0.495 -12.375 1.00 0.00 H new ATOM 0 HB3 ARG A 768 10.828 0.730 -12.496 1.00 0.00 H new ATOM 0 HG2 ARG A 768 12.034 -0.544 -10.596 1.00 0.00 H new ATOM 0 HG3 ARG A 768 10.899 -1.845 -10.901 1.00 0.00 H new ATOM 0 HD2 ARG A 768 12.603 -2.481 -12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 768 11.650 -1.508 -13.426 1.00 0.00 H new ATOM 0 HE ARG A 768 13.744 -0.033 -11.964 1.00 0.00 H new ATOM 0 HH11 ARG A 768 12.829 -1.833 -14.859 1.00 0.00 H new ATOM 0 HH12 ARG A 768 14.113 -1.125 -15.846 1.00 0.00 H new ATOM 0 HH21 ARG A 768 15.391 0.873 -13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 768 15.558 0.401 -14.931 1.00 0.00 H new ATOM 408 N ARG A 769 9.178 3.056 -11.356 1.00 0.00 N ATOM 409 CA ARG A 769 8.333 4.126 -11.871 1.00 0.00 C ATOM 410 C ARG A 769 7.360 3.594 -12.919 1.00 0.00 C ATOM 411 O ARG A 769 7.766 2.953 -13.888 1.00 0.00 O ATOM 412 CB ARG A 769 9.192 5.238 -12.475 1.00 0.00 C ATOM 413 CG ARG A 769 8.388 6.297 -13.212 1.00 0.00 C ATOM 414 CD ARG A 769 9.203 6.942 -14.322 1.00 0.00 C ATOM 415 NE ARG A 769 8.378 7.774 -15.194 1.00 0.00 N ATOM 416 CZ ARG A 769 8.755 8.167 -16.406 1.00 0.00 C ATOM 417 NH1 ARG A 769 9.936 7.805 -16.887 1.00 0.00 N ATOM 418 NH2 ARG A 769 7.948 8.922 -17.140 1.00 0.00 N ATOM 0 H ARG A 769 10.128 3.345 -11.122 1.00 0.00 H new ATOM 0 HA ARG A 769 7.758 4.532 -11.039 1.00 0.00 H new ATOM 0 HB2 ARG A 769 9.764 5.716 -11.680 1.00 0.00 H new ATOM 0 HB3 ARG A 769 9.912 4.796 -13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 769 7.490 5.846 -13.634 1.00 0.00 H new ATOM 0 HG3 ARG A 769 8.060 7.062 -12.508 1.00 0.00 H new ATOM 0 HD2 ARG A 769 9.995 7.550 -13.884 1.00 0.00 H new ATOM 0 HD3 ARG A 769 9.688 6.166 -14.914 1.00 0.00 H new ATOM 0 HE ARG A 769 7.463 8.069 -14.854 1.00 0.00 H new ATOM 0 HH11 ARG A 769 10.558 7.223 -16.326 1.00 0.00 H new ATOM 0 HH12 ARG A 769 10.222 8.108 -17.818 1.00 0.00 H new ATOM 0 HH21 ARG A 769 7.038 9.201 -16.774 1.00 0.00 H new ATOM 0 HH22 ARG A 769 8.238 9.223 -18.070 1.00 0.00 H new ATOM 432 N GLY A 770 6.074 3.865 -12.718 1.00 0.00 N ATOM 433 CA GLY A 770 5.064 3.405 -13.653 1.00 0.00 C ATOM 434 C GLY A 770 4.300 2.203 -13.137 1.00 0.00 C ATOM 435 O GLY A 770 3.096 2.080 -13.363 1.00 0.00 O ATOM 0 H GLY A 770 5.714 4.395 -11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 770 4.365 4.216 -13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 770 5.540 3.150 -14.600 1.00 0.00 H new ATOM 439 N ASP A 771 5.000 1.312 -12.444 1.00 0.00 N ATOM 440 CA ASP A 771 4.380 0.112 -11.894 1.00 0.00 C ATOM 441 C ASP A 771 3.199 0.472 -10.997 1.00 0.00 C ATOM 442 O ASP A 771 3.373 1.070 -9.936 1.00 0.00 O ATOM 443 CB ASP A 771 5.406 -0.703 -11.105 1.00 0.00 C ATOM 444 CG ASP A 771 6.452 -1.338 -11.999 1.00 0.00 C ATOM 445 OD1 ASP A 771 7.063 -0.609 -12.808 1.00 0.00 O ATOM 446 OD2 ASP A 771 6.661 -2.564 -11.889 1.00 0.00 O ATOM 0 H ASP A 771 5.998 1.398 -12.250 1.00 0.00 H new ATOM 0 HA ASP A 771 4.012 -0.490 -12.725 1.00 0.00 H new ATOM 0 HB2 ASP A 771 5.898 -0.057 -10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 771 4.892 -1.482 -10.542 1.00 0.00 H new ATOM 451 N VAL A 772 1.998 0.105 -11.433 1.00 0.00 N ATOM 452 CA VAL A 772 0.789 0.389 -10.670 1.00 0.00 C ATOM 453 C VAL A 772 0.715 -0.473 -9.415 1.00 0.00 C ATOM 454 O VAL A 772 1.211 -1.600 -9.393 1.00 0.00 O ATOM 455 CB VAL A 772 -0.477 0.154 -11.516 1.00 0.00 C ATOM 456 CG1 VAL A 772 -1.724 0.508 -10.721 1.00 0.00 C ATOM 457 CG2 VAL A 772 -0.412 0.957 -12.806 1.00 0.00 C ATOM 0 H VAL A 772 1.837 -0.389 -12.310 1.00 0.00 H new ATOM 0 HA VAL A 772 0.836 1.440 -10.383 1.00 0.00 H new ATOM 0 HB VAL A 772 -0.528 -0.904 -11.775 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -2.608 0.336 -11.335 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -1.775 -0.115 -9.828 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -1.684 1.558 -10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -1.314 0.779 -13.391 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -0.336 2.018 -12.570 1.00 0.00 H new ATOM 0 HG23 VAL A 772 0.461 0.650 -13.382 1.00 0.00 H new ATOM 467 N LEU A 773 0.093 0.064 -8.371 1.00 0.00 N ATOM 468 CA LEU A 773 -0.046 -0.657 -7.110 1.00 0.00 C ATOM 469 C LEU A 773 -1.439 -0.458 -6.520 1.00 0.00 C ATOM 470 O LEU A 773 -1.919 0.670 -6.404 1.00 0.00 O ATOM 471 CB LEU A 773 1.014 -0.188 -6.112 1.00 0.00 C ATOM 472 CG LEU A 773 2.333 0.298 -6.713 1.00 0.00 C ATOM 473 CD1 LEU A 773 3.012 1.289 -5.781 1.00 0.00 C ATOM 474 CD2 LEU A 773 3.253 -0.880 -7.003 1.00 0.00 C ATOM 0 H LEU A 773 -0.323 0.995 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 773 0.096 -1.719 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 773 0.590 0.620 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 773 1.230 -1.010 -5.429 1.00 0.00 H new ATOM 0 HG LEU A 773 2.116 0.805 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 773 3.949 1.624 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 773 2.358 2.147 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 773 3.216 0.808 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 773 4.187 -0.516 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 773 3.462 -1.415 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 773 2.769 -1.554 -7.710 1.00 0.00 H new ATOM 486 N ARG A 774 -2.082 -1.560 -6.149 1.00 0.00 N ATOM 487 CA ARG A 774 -3.419 -1.506 -5.570 1.00 0.00 C ATOM 488 C ARG A 774 -3.358 -1.125 -4.094 1.00 0.00 C ATOM 489 O ARG A 774 -2.713 -1.804 -3.293 1.00 0.00 O ATOM 490 CB ARG A 774 -4.122 -2.856 -5.731 1.00 0.00 C ATOM 491 CG ARG A 774 -4.556 -3.150 -7.157 1.00 0.00 C ATOM 492 CD ARG A 774 -5.534 -4.314 -7.213 1.00 0.00 C ATOM 493 NE ARG A 774 -6.423 -4.227 -8.369 1.00 0.00 N ATOM 494 CZ ARG A 774 -7.408 -5.087 -8.604 1.00 0.00 C ATOM 495 NH1 ARG A 774 -7.629 -6.092 -7.768 1.00 0.00 N ATOM 496 NH2 ARG A 774 -8.174 -4.941 -9.677 1.00 0.00 N ATOM 0 H ARG A 774 -1.699 -2.501 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 774 -3.987 -0.742 -6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 774 -3.453 -3.647 -5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 774 -4.997 -2.880 -5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 774 -5.020 -2.263 -7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 774 -3.681 -3.379 -7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 774 -4.980 -5.252 -7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 774 -6.128 -4.333 -6.299 1.00 0.00 H new ATOM 0 HE ARG A 774 -6.280 -3.465 -9.032 1.00 0.00 H new ATOM 0 HH11 ARG A 774 -7.042 -6.207 -6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 774 -8.386 -6.751 -7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 774 -8.007 -4.168 -10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 774 -8.930 -5.601 -9.857 1.00 0.00 H new ATOM 510 N LEU A 775 -4.032 -0.036 -3.741 1.00 0.00 N ATOM 511 CA LEU A 775 -4.054 0.436 -2.361 1.00 0.00 C ATOM 512 C LEU A 775 -5.142 -0.273 -1.561 1.00 0.00 C ATOM 513 O LEU A 775 -6.281 0.191 -1.495 1.00 0.00 O ATOM 514 CB LEU A 775 -4.280 1.948 -2.322 1.00 0.00 C ATOM 515 CG LEU A 775 -3.311 2.793 -3.151 1.00 0.00 C ATOM 516 CD1 LEU A 775 -3.712 4.259 -3.111 1.00 0.00 C ATOM 517 CD2 LEU A 775 -1.885 2.614 -2.650 1.00 0.00 C ATOM 0 H LEU A 775 -4.570 0.537 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 775 -3.089 0.208 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 775 -5.294 2.153 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 775 -4.222 2.277 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 775 -3.357 2.454 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 775 -3.011 4.844 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 775 -4.717 4.373 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 775 -3.696 4.613 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 775 -1.209 3.222 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 775 -1.824 2.926 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 775 -1.599 1.565 -2.732 1.00 0.00 H new ATOM 529 N HIS A 776 -4.783 -1.398 -0.951 1.00 0.00 N ATOM 530 CA HIS A 776 -5.728 -2.169 -0.151 1.00 0.00 C ATOM 531 C HIS A 776 -6.320 -1.315 0.966 1.00 0.00 C ATOM 532 O HIS A 776 -7.512 -1.399 1.259 1.00 0.00 O ATOM 533 CB HIS A 776 -5.042 -3.400 0.441 1.00 0.00 C ATOM 534 CG HIS A 776 -4.691 -4.440 -0.578 1.00 0.00 C ATOM 535 ND1 HIS A 776 -4.734 -5.793 -0.319 1.00 0.00 N ATOM 536 CD2 HIS A 776 -4.290 -4.317 -1.866 1.00 0.00 C ATOM 537 CE1 HIS A 776 -4.373 -6.458 -1.402 1.00 0.00 C ATOM 538 NE2 HIS A 776 -4.099 -5.586 -2.355 1.00 0.00 N ATOM 0 H HIS A 776 -3.845 -1.796 -0.995 1.00 0.00 H new ATOM 0 HA HIS A 776 -6.538 -2.493 -0.804 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -4.134 -3.087 0.956 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -5.696 -3.845 1.191 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -5.003 -6.215 0.570 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -4.147 -3.393 -2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -4.312 -7.532 -1.493 1.00 0.00 H new ATOM 546 N GLU A 777 -5.477 -0.494 1.585 1.00 0.00 N ATOM 547 CA GLU A 777 -5.918 0.374 2.671 1.00 0.00 C ATOM 548 C GLU A 777 -4.977 1.565 2.831 1.00 0.00 C ATOM 549 O GLU A 777 -3.886 1.588 2.262 1.00 0.00 O ATOM 550 CB GLU A 777 -5.992 -0.410 3.983 1.00 0.00 C ATOM 551 CG GLU A 777 -7.016 0.138 4.963 1.00 0.00 C ATOM 552 CD GLU A 777 -6.433 1.188 5.889 1.00 0.00 C ATOM 553 OE1 GLU A 777 -5.417 0.894 6.553 1.00 0.00 O ATOM 554 OE2 GLU A 777 -6.993 2.302 5.950 1.00 0.00 O ATOM 0 H GLU A 777 -4.487 -0.412 1.354 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.911 0.747 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -6.233 -1.450 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -5.010 -0.404 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -7.849 0.570 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -7.420 -0.682 5.557 1.00 0.00 H new ATOM 561 N ARG A 778 -5.410 2.553 3.607 1.00 0.00 N ATOM 562 CA ARG A 778 -4.608 3.749 3.841 1.00 0.00 C ATOM 563 C ARG A 778 -3.981 3.720 5.231 1.00 0.00 C ATOM 564 O ARG A 778 -4.538 4.261 6.186 1.00 0.00 O ATOM 565 CB ARG A 778 -5.469 5.004 3.684 1.00 0.00 C ATOM 566 CG ARG A 778 -4.762 6.283 4.103 1.00 0.00 C ATOM 567 CD ARG A 778 -3.783 6.753 3.039 1.00 0.00 C ATOM 568 NE ARG A 778 -3.613 8.203 3.054 1.00 0.00 N ATOM 569 CZ ARG A 778 -4.563 9.058 2.691 1.00 0.00 C ATOM 570 NH1 ARG A 778 -5.744 8.610 2.286 1.00 0.00 N ATOM 571 NH2 ARG A 778 -4.333 10.364 2.732 1.00 0.00 N ATOM 0 H ARG A 778 -6.311 2.549 4.084 1.00 0.00 H new ATOM 0 HA ARG A 778 -3.808 3.770 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -5.779 5.094 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -6.376 4.889 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -5.500 7.063 4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -4.230 6.116 5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -2.817 6.273 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -4.137 6.440 2.057 1.00 0.00 H new ATOM 0 HE ARG A 778 -2.716 8.580 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -5.925 7.607 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -6.471 9.269 2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -3.426 10.713 3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -5.063 11.019 2.453 1.00 0.00 H new ATOM 585 N ALA A 779 -2.819 3.083 5.337 1.00 0.00 N ATOM 586 CA ALA A 779 -2.115 2.985 6.610 1.00 0.00 C ATOM 587 C ALA A 779 -2.067 4.335 7.316 1.00 0.00 C ATOM 588 O ALA A 779 -2.512 4.467 8.456 1.00 0.00 O ATOM 589 CB ALA A 779 -0.707 2.449 6.394 1.00 0.00 C ATOM 0 H ALA A 779 -2.346 2.627 4.557 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.662 2.291 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -0.193 2.381 7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.760 1.460 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -0.159 3.122 5.735 1.00 0.00 H new ATOM 595 N SER A 780 -1.522 5.337 6.632 1.00 0.00 N ATOM 596 CA SER A 780 -1.412 6.677 7.197 1.00 0.00 C ATOM 597 C SER A 780 -1.530 7.737 6.106 1.00 0.00 C ATOM 598 O SER A 780 -1.671 7.416 4.926 1.00 0.00 O ATOM 599 CB SER A 780 -0.081 6.834 7.934 1.00 0.00 C ATOM 600 OG SER A 780 1.014 6.584 7.070 1.00 0.00 O ATOM 0 H SER A 780 -1.150 5.246 5.687 1.00 0.00 H new ATOM 0 HA SER A 780 -2.230 6.815 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 780 -0.004 7.842 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 780 -0.046 6.146 8.779 1.00 0.00 H new ATOM 0 HG SER A 780 1.636 7.340 7.103 1.00 0.00 H new ATOM 606 N SER A 781 -1.472 9.002 6.510 1.00 0.00 N ATOM 607 CA SER A 781 -1.576 10.111 5.569 1.00 0.00 C ATOM 608 C SER A 781 -0.303 10.240 4.738 1.00 0.00 C ATOM 609 O SER A 781 -0.272 10.954 3.736 1.00 0.00 O ATOM 610 CB SER A 781 -1.846 11.418 6.316 1.00 0.00 C ATOM 611 OG SER A 781 -1.879 12.518 5.424 1.00 0.00 O ATOM 0 H SER A 781 -1.354 9.284 7.483 1.00 0.00 H new ATOM 0 HA SER A 781 -2.409 9.907 4.896 1.00 0.00 H new ATOM 0 HB2 SER A 781 -2.795 11.348 6.847 1.00 0.00 H new ATOM 0 HB3 SER A 781 -1.072 11.578 7.067 1.00 0.00 H new ATOM 0 HG SER A 781 -1.496 12.252 4.562 1.00 0.00 H new ATOM 617 N ASP A 782 0.746 9.543 5.162 1.00 0.00 N ATOM 618 CA ASP A 782 2.022 9.578 4.458 1.00 0.00 C ATOM 619 C ASP A 782 2.330 8.225 3.825 1.00 0.00 C ATOM 620 O ASP A 782 3.034 8.146 2.818 1.00 0.00 O ATOM 621 CB ASP A 782 3.147 9.974 5.416 1.00 0.00 C ATOM 622 CG ASP A 782 3.003 11.397 5.921 1.00 0.00 C ATOM 623 OD1 ASP A 782 2.530 12.256 5.147 1.00 0.00 O ATOM 624 OD2 ASP A 782 3.362 11.651 7.089 1.00 0.00 O ATOM 0 H ASP A 782 0.737 8.947 5.990 1.00 0.00 H new ATOM 0 HA ASP A 782 1.951 10.323 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 782 3.156 9.290 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 782 4.106 9.866 4.910 1.00 0.00 H new ATOM 629 N TRP A 783 1.800 7.164 4.422 1.00 0.00 N ATOM 630 CA TRP A 783 2.020 5.813 3.916 1.00 0.00 C ATOM 631 C TRP A 783 0.700 5.155 3.531 1.00 0.00 C ATOM 632 O TRP A 783 -0.366 5.564 3.992 1.00 0.00 O ATOM 633 CB TRP A 783 2.740 4.965 4.965 1.00 0.00 C ATOM 634 CG TRP A 783 4.188 5.319 5.124 1.00 0.00 C ATOM 635 CD1 TRP A 783 4.731 6.148 6.064 1.00 0.00 C ATOM 636 CD2 TRP A 783 5.277 4.856 4.317 1.00 0.00 C ATOM 637 NE1 TRP A 783 6.091 6.228 5.890 1.00 0.00 N ATOM 638 CE2 TRP A 783 6.451 5.444 4.826 1.00 0.00 C ATOM 639 CE3 TRP A 783 5.374 4.001 3.217 1.00 0.00 C ATOM 640 CZ2 TRP A 783 7.705 5.204 4.270 1.00 0.00 C ATOM 641 CZ3 TRP A 783 6.619 3.764 2.665 1.00 0.00 C ATOM 642 CH2 TRP A 783 7.771 4.363 3.193 1.00 0.00 C ATOM 0 H TRP A 783 1.215 7.212 5.256 1.00 0.00 H new ATOM 0 HA TRP A 783 2.644 5.882 3.025 1.00 0.00 H new ATOM 0 HB2 TRP A 783 2.237 5.083 5.925 1.00 0.00 H new ATOM 0 HB3 TRP A 783 2.659 3.913 4.690 1.00 0.00 H new ATOM 0 HD1 TRP A 783 4.173 6.664 6.831 1.00 0.00 H new ATOM 0 HE1 TRP A 783 6.730 6.782 6.461 1.00 0.00 H new ATOM 0 HE3 TRP A 783 4.492 3.533 2.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 783 8.594 5.665 4.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 783 6.706 3.106 1.813 1.00 0.00 H new ATOM 0 HH2 TRP A 783 8.730 4.157 2.741 1.00 0.00 H new ATOM 653 N TRP A 784 0.778 4.134 2.685 1.00 0.00 N ATOM 654 CA TRP A 784 -0.413 3.419 2.238 1.00 0.00 C ATOM 655 C TRP A 784 -0.230 1.913 2.385 1.00 0.00 C ATOM 656 O TRP A 784 0.833 1.444 2.792 1.00 0.00 O ATOM 657 CB TRP A 784 -0.726 3.768 0.782 1.00 0.00 C ATOM 658 CG TRP A 784 -1.223 5.170 0.601 1.00 0.00 C ATOM 659 CD1 TRP A 784 -0.476 6.314 0.623 1.00 0.00 C ATOM 660 CD2 TRP A 784 -2.576 5.577 0.372 1.00 0.00 C ATOM 661 NE1 TRP A 784 -1.285 7.406 0.421 1.00 0.00 N ATOM 662 CE2 TRP A 784 -2.577 6.981 0.263 1.00 0.00 C ATOM 663 CE3 TRP A 784 -3.787 4.891 0.245 1.00 0.00 C ATOM 664 CZ2 TRP A 784 -3.742 7.709 0.037 1.00 0.00 C ATOM 665 CZ3 TRP A 784 -4.943 5.615 0.020 1.00 0.00 C ATOM 666 CH2 TRP A 784 -4.913 7.012 -0.083 1.00 0.00 C ATOM 0 H TRP A 784 1.652 3.783 2.295 1.00 0.00 H new ATOM 0 HA TRP A 784 -1.249 3.728 2.866 1.00 0.00 H new ATOM 0 HB2 TRP A 784 0.173 3.628 0.181 1.00 0.00 H new ATOM 0 HB3 TRP A 784 -1.475 3.073 0.402 1.00 0.00 H new ATOM 0 HD1 TRP A 784 0.592 6.354 0.776 1.00 0.00 H new ATOM 0 HE1 TRP A 784 -0.973 8.377 0.393 1.00 0.00 H new ATOM 0 HE3 TRP A 784 -3.819 3.814 0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 784 -3.722 8.786 -0.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 784 -5.885 5.095 -0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 784 -5.833 7.549 -0.261 1.00 0.00 H new ATOM 677 N ARG A 785 -1.273 1.159 2.052 1.00 0.00 N ATOM 678 CA ARG A 785 -1.227 -0.295 2.149 1.00 0.00 C ATOM 679 C ARG A 785 -1.661 -0.941 0.836 1.00 0.00 C ATOM 680 O ARG A 785 -2.805 -0.795 0.409 1.00 0.00 O ATOM 681 CB ARG A 785 -2.123 -0.780 3.289 1.00 0.00 C ATOM 682 CG ARG A 785 -1.470 -0.689 4.658 1.00 0.00 C ATOM 683 CD ARG A 785 -2.142 -1.616 5.659 1.00 0.00 C ATOM 684 NE ARG A 785 -1.616 -1.436 7.010 1.00 0.00 N ATOM 685 CZ ARG A 785 -1.991 -2.175 8.048 1.00 0.00 C ATOM 686 NH1 ARG A 785 -2.889 -3.138 7.892 1.00 0.00 N ATOM 687 NH2 ARG A 785 -1.468 -1.951 9.247 1.00 0.00 N ATOM 0 H ARG A 785 -2.160 1.531 1.713 1.00 0.00 H new ATOM 0 HA ARG A 785 -0.198 -0.588 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 785 -3.041 -0.192 3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 785 -2.409 -1.815 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 785 -0.414 -0.945 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 785 -1.522 0.338 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 785 -3.216 -1.431 5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 785 -1.998 -2.651 5.349 1.00 0.00 H new ATOM 0 HE ARG A 785 -0.923 -0.703 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 785 -3.294 -3.313 6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 785 -3.175 -3.703 8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 785 -0.777 -1.211 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 785 -1.757 -2.519 10.044 1.00 0.00 H new ATOM 701 N GLY A 786 -0.737 -1.655 0.200 1.00 0.00 N ATOM 702 CA GLY A 786 -1.043 -2.311 -1.058 1.00 0.00 C ATOM 703 C GLY A 786 -0.350 -3.653 -1.195 1.00 0.00 C ATOM 704 O GLY A 786 0.413 -4.057 -0.318 1.00 0.00 O ATOM 0 H GLY A 786 0.217 -1.791 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -2.121 -2.452 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -0.744 -1.665 -1.883 1.00 0.00 H new ATOM 708 N GLU A 787 -0.617 -4.345 -2.298 1.00 0.00 N ATOM 709 CA GLU A 787 -0.015 -5.650 -2.544 1.00 0.00 C ATOM 710 C GLU A 787 0.571 -5.722 -3.951 1.00 0.00 C ATOM 711 O GLU A 787 -0.160 -5.700 -4.942 1.00 0.00 O ATOM 712 CB GLU A 787 -1.053 -6.759 -2.355 1.00 0.00 C ATOM 713 CG GLU A 787 -0.666 -8.073 -3.013 1.00 0.00 C ATOM 714 CD GLU A 787 -1.807 -9.071 -3.036 1.00 0.00 C ATOM 715 OE1 GLU A 787 -2.443 -9.269 -1.980 1.00 0.00 O ATOM 716 OE2 GLU A 787 -2.063 -9.655 -4.110 1.00 0.00 O ATOM 0 H GLU A 787 -1.245 -4.024 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 787 0.792 -5.791 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -1.203 -6.927 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -2.007 -6.425 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -0.336 -7.881 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 787 0.180 -8.506 -2.480 1.00 0.00 H new ATOM 723 N HIS A 788 1.895 -5.807 -4.031 1.00 0.00 N ATOM 724 CA HIS A 788 2.581 -5.881 -5.316 1.00 0.00 C ATOM 725 C HIS A 788 2.525 -7.298 -5.880 1.00 0.00 C ATOM 726 O HIS A 788 1.905 -8.185 -5.295 1.00 0.00 O ATOM 727 CB HIS A 788 4.036 -5.436 -5.168 1.00 0.00 C ATOM 728 CG HIS A 788 4.592 -4.788 -6.399 1.00 0.00 C ATOM 729 ND1 HIS A 788 5.944 -4.672 -6.644 1.00 0.00 N ATOM 730 CD2 HIS A 788 3.969 -4.220 -7.458 1.00 0.00 C ATOM 731 CE1 HIS A 788 6.129 -4.060 -7.800 1.00 0.00 C ATOM 732 NE2 HIS A 788 4.946 -3.775 -8.315 1.00 0.00 N ATOM 0 H HIS A 788 2.514 -5.826 -3.221 1.00 0.00 H new ATOM 0 HA HIS A 788 2.073 -5.211 -6.010 1.00 0.00 H new ATOM 0 HB2 HIS A 788 4.111 -4.738 -4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 788 4.648 -6.302 -4.915 1.00 0.00 H new ATOM 0 HD1 HIS A 788 6.686 -5.007 -6.029 1.00 0.00 H new ATOM 0 HD2 HIS A 788 2.902 -4.133 -7.602 1.00 0.00 H new ATOM 0 HE1 HIS A 788 7.085 -3.831 -8.248 1.00 0.00 H new ATOM 740 N ASN A 789 3.177 -7.502 -7.020 1.00 0.00 N ATOM 741 CA ASN A 789 3.200 -8.811 -7.663 1.00 0.00 C ATOM 742 C ASN A 789 3.672 -9.887 -6.691 1.00 0.00 C ATOM 743 O ASN A 789 4.871 -10.117 -6.537 1.00 0.00 O ATOM 744 CB ASN A 789 4.112 -8.782 -8.892 1.00 0.00 C ATOM 745 CG ASN A 789 5.322 -7.890 -8.692 1.00 0.00 C ATOM 746 OD1 ASN A 789 5.406 -6.802 -9.263 1.00 0.00 O ATOM 747 ND2 ASN A 789 6.268 -8.348 -7.880 1.00 0.00 N ATOM 0 H ASN A 789 3.696 -6.778 -7.517 1.00 0.00 H new ATOM 0 HA ASN A 789 2.184 -9.052 -7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 789 4.444 -9.795 -9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 789 3.544 -8.432 -9.754 1.00 0.00 H new ATOM 0 HD21 ASN A 789 7.106 -7.792 -7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 789 6.157 -9.255 -7.428 1.00 0.00 H new ATOM 754 N GLY A 790 2.720 -10.544 -6.036 1.00 0.00 N ATOM 755 CA GLY A 790 3.057 -11.588 -5.086 1.00 0.00 C ATOM 756 C GLY A 790 3.714 -11.043 -3.834 1.00 0.00 C ATOM 757 O GLY A 790 4.301 -11.794 -3.055 1.00 0.00 O ATOM 0 H GLY A 790 1.721 -10.372 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 790 2.152 -12.130 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 790 3.727 -12.305 -5.561 1.00 0.00 H new ATOM 761 N MET A 791 3.618 -9.732 -3.640 1.00 0.00 N ATOM 762 CA MET A 791 4.208 -9.087 -2.473 1.00 0.00 C ATOM 763 C MET A 791 3.175 -8.237 -1.740 1.00 0.00 C ATOM 764 O MET A 791 2.219 -7.749 -2.343 1.00 0.00 O ATOM 765 CB MET A 791 5.397 -8.218 -2.890 1.00 0.00 C ATOM 766 CG MET A 791 6.728 -8.950 -2.848 1.00 0.00 C ATOM 767 SD MET A 791 8.139 -7.831 -2.941 1.00 0.00 S ATOM 768 CE MET A 791 9.233 -8.563 -1.726 1.00 0.00 C ATOM 0 H MET A 791 3.137 -9.096 -4.276 1.00 0.00 H new ATOM 0 HA MET A 791 4.557 -9.867 -1.796 1.00 0.00 H new ATOM 0 HB2 MET A 791 5.228 -7.846 -3.900 1.00 0.00 H new ATOM 0 HB3 MET A 791 5.449 -7.349 -2.235 1.00 0.00 H new ATOM 0 HG2 MET A 791 6.790 -9.531 -1.928 1.00 0.00 H new ATOM 0 HG3 MET A 791 6.775 -9.658 -3.676 1.00 0.00 H new ATOM 0 HE1 MET A 791 10.153 -7.981 -1.668 1.00 0.00 H new ATOM 0 HE2 MET A 791 8.744 -8.567 -0.752 1.00 0.00 H new ATOM 0 HE3 MET A 791 9.469 -9.586 -2.018 1.00 0.00 H new ATOM 778 N ARG A 792 3.374 -8.064 -0.438 1.00 0.00 N ATOM 779 CA ARG A 792 2.458 -7.274 0.377 1.00 0.00 C ATOM 780 C ARG A 792 3.225 -6.393 1.358 1.00 0.00 C ATOM 781 O ARG A 792 4.108 -6.866 2.073 1.00 0.00 O ATOM 782 CB ARG A 792 1.499 -8.191 1.139 1.00 0.00 C ATOM 783 CG ARG A 792 0.521 -8.930 0.241 1.00 0.00 C ATOM 784 CD ARG A 792 -0.630 -9.522 1.040 1.00 0.00 C ATOM 785 NE ARG A 792 -0.252 -10.767 1.704 1.00 0.00 N ATOM 786 CZ ARG A 792 -0.097 -11.922 1.066 1.00 0.00 C ATOM 787 NH1 ARG A 792 -0.286 -11.990 -0.244 1.00 0.00 N ATOM 788 NH2 ARG A 792 0.248 -13.012 1.739 1.00 0.00 N ATOM 0 H ARG A 792 4.161 -8.460 0.076 1.00 0.00 H new ATOM 0 HA ARG A 792 1.882 -6.630 -0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 792 2.079 -8.919 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 792 0.939 -7.597 1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 792 0.129 -8.247 -0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 792 1.043 -9.725 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 792 -0.963 -8.800 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 792 -1.475 -9.707 0.376 1.00 0.00 H new ATOM 0 HE ARG A 792 -0.099 -10.749 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 792 -0.551 -11.154 -0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 792 -0.166 -12.878 -0.731 1.00 0.00 H new ATOM 0 HH21 ARG A 792 0.395 -12.964 2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 792 0.367 -13.898 1.248 1.00 0.00 H new ATOM 802 N GLY A 793 2.882 -5.109 1.386 1.00 0.00 N ATOM 803 CA GLY A 793 3.548 -4.182 2.283 1.00 0.00 C ATOM 804 C GLY A 793 2.969 -2.784 2.206 1.00 0.00 C ATOM 805 O GLY A 793 1.878 -2.584 1.670 1.00 0.00 O ATOM 0 H GLY A 793 2.155 -4.694 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 793 3.467 -4.550 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 793 4.610 -4.146 2.040 1.00 0.00 H new ATOM 809 N LEU A 794 3.699 -1.813 2.744 1.00 0.00 N ATOM 810 CA LEU A 794 3.251 -0.424 2.736 1.00 0.00 C ATOM 811 C LEU A 794 3.532 0.231 1.387 1.00 0.00 C ATOM 812 O LEU A 794 4.054 -0.408 0.473 1.00 0.00 O ATOM 813 CB LEU A 794 3.941 0.362 3.852 1.00 0.00 C ATOM 814 CG LEU A 794 3.654 -0.106 5.279 1.00 0.00 C ATOM 815 CD1 LEU A 794 4.794 0.283 6.207 1.00 0.00 C ATOM 816 CD2 LEU A 794 2.338 0.474 5.775 1.00 0.00 C ATOM 0 H LEU A 794 4.604 -1.962 3.191 1.00 0.00 H new ATOM 0 HA LEU A 794 2.174 -0.414 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 794 5.018 0.320 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 794 3.646 1.408 3.768 1.00 0.00 H new ATOM 0 HG LEU A 794 3.571 -1.193 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 794 4.572 -0.058 7.218 1.00 0.00 H new ATOM 0 HD12 LEU A 794 5.718 -0.180 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 794 4.910 1.367 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 794 2.149 0.131 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 794 2.393 1.563 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 794 1.527 0.145 5.125 1.00 0.00 H new ATOM 828 N ILE A 795 3.186 1.508 1.272 1.00 0.00 N ATOM 829 CA ILE A 795 3.405 2.250 0.037 1.00 0.00 C ATOM 830 C ILE A 795 3.569 3.741 0.313 1.00 0.00 C ATOM 831 O ILE A 795 2.792 4.351 1.047 1.00 0.00 O ATOM 832 CB ILE A 795 2.244 2.048 -0.954 1.00 0.00 C ATOM 833 CG1 ILE A 795 2.334 0.666 -1.605 1.00 0.00 C ATOM 834 CG2 ILE A 795 2.256 3.140 -2.014 1.00 0.00 C ATOM 835 CD1 ILE A 795 1.208 0.378 -2.573 1.00 0.00 C ATOM 0 H ILE A 795 2.753 2.051 2.019 1.00 0.00 H new ATOM 0 HA ILE A 795 4.322 1.862 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 795 1.304 2.110 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 795 3.285 0.583 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 795 2.334 -0.095 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 795 1.429 2.983 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.149 4.113 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 795 3.199 3.107 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 795 1.337 -0.618 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 795 0.254 0.428 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 795 1.220 1.116 -3.375 1.00 0.00 H new ATOM 847 N PRO A 796 4.604 4.344 -0.291 1.00 0.00 N ATOM 848 CA PRO A 796 4.894 5.772 -0.127 1.00 0.00 C ATOM 849 C PRO A 796 3.855 6.655 -0.809 1.00 0.00 C ATOM 850 O PRO A 796 3.583 6.505 -2.001 1.00 0.00 O ATOM 851 CB PRO A 796 6.260 5.936 -0.799 1.00 0.00 C ATOM 852 CG PRO A 796 6.331 4.824 -1.789 1.00 0.00 C ATOM 853 CD PRO A 796 5.572 3.678 -1.180 1.00 0.00 C ATOM 0 HA PRO A 796 4.880 6.074 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 796 6.347 6.907 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 796 7.069 5.871 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 796 5.892 5.121 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 796 7.366 4.545 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 796 5.072 3.078 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 796 6.231 3.008 -0.627 1.00 0.00 H new ATOM 861 N HIS A 797 3.278 7.578 -0.046 1.00 0.00 N ATOM 862 CA HIS A 797 2.269 8.488 -0.578 1.00 0.00 C ATOM 863 C HIS A 797 2.918 9.598 -1.400 1.00 0.00 C ATOM 864 O HIS A 797 2.262 10.243 -2.219 1.00 0.00 O ATOM 865 CB HIS A 797 1.448 9.094 0.560 1.00 0.00 C ATOM 866 CG HIS A 797 0.560 10.219 0.125 1.00 0.00 C ATOM 867 ND1 HIS A 797 -0.808 10.093 0.000 1.00 0.00 N ATOM 868 CD2 HIS A 797 0.851 11.497 -0.214 1.00 0.00 C ATOM 869 CE1 HIS A 797 -1.319 11.244 -0.398 1.00 0.00 C ATOM 870 NE2 HIS A 797 -0.333 12.113 -0.535 1.00 0.00 N ATOM 0 H HIS A 797 3.491 7.716 0.942 1.00 0.00 H new ATOM 0 HA HIS A 797 1.607 7.917 -1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 797 0.836 8.313 1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 797 2.126 9.455 1.334 1.00 0.00 H new ATOM 0 HD2 HIS A 797 1.832 11.948 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 797 -2.365 11.441 -0.580 1.00 0.00 H new ATOM 0 HE2 HIS A 797 -0.435 13.084 -0.831 1.00 0.00 H new ATOM 878 N LYS A 798 4.209 9.816 -1.177 1.00 0.00 N ATOM 879 CA LYS A 798 4.947 10.847 -1.896 1.00 0.00 C ATOM 880 C LYS A 798 5.487 10.308 -3.217 1.00 0.00 C ATOM 881 O LYS A 798 5.580 11.037 -4.205 1.00 0.00 O ATOM 882 CB LYS A 798 6.101 11.370 -1.037 1.00 0.00 C ATOM 883 CG LYS A 798 7.045 12.295 -1.786 1.00 0.00 C ATOM 884 CD LYS A 798 8.310 12.565 -0.988 1.00 0.00 C ATOM 885 CE LYS A 798 9.132 13.684 -1.609 1.00 0.00 C ATOM 886 NZ LYS A 798 9.429 13.424 -3.045 1.00 0.00 N ATOM 0 H LYS A 798 4.767 9.292 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 798 4.261 11.667 -2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 798 5.692 11.901 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 798 6.667 10.523 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 798 7.307 11.850 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 798 6.540 13.237 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 798 8.046 12.831 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 798 8.910 11.657 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 798 8.592 14.626 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 798 10.067 13.796 -1.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 798 10.114 14.126 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 798 9.829 12.470 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 798 8.552 13.494 -3.599 1.00 0.00 H new ATOM 900 N TYR A 799 5.840 9.027 -3.228 1.00 0.00 N ATOM 901 CA TYR A 799 6.371 8.391 -4.428 1.00 0.00 C ATOM 902 C TYR A 799 5.253 7.748 -5.244 1.00 0.00 C ATOM 903 O TYR A 799 5.457 6.724 -5.897 1.00 0.00 O ATOM 904 CB TYR A 799 7.414 7.338 -4.053 1.00 0.00 C ATOM 905 CG TYR A 799 8.681 7.921 -3.469 1.00 0.00 C ATOM 906 CD1 TYR A 799 8.643 8.705 -2.322 1.00 0.00 C ATOM 907 CD2 TYR A 799 9.915 7.690 -4.064 1.00 0.00 C ATOM 908 CE1 TYR A 799 9.798 9.241 -1.785 1.00 0.00 C ATOM 909 CE2 TYR A 799 11.075 8.220 -3.533 1.00 0.00 C ATOM 910 CZ TYR A 799 11.011 8.995 -2.394 1.00 0.00 C ATOM 911 OH TYR A 799 12.164 9.527 -1.863 1.00 0.00 O ATOM 0 H TYR A 799 5.768 8.409 -2.420 1.00 0.00 H new ATOM 0 HA TYR A 799 6.844 9.161 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 799 6.977 6.646 -3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 799 7.667 6.757 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 799 7.695 8.899 -1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 799 9.968 7.085 -4.957 1.00 0.00 H new ATOM 0 HE1 TYR A 799 9.751 9.849 -0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 799 12.026 8.029 -4.007 1.00 0.00 H new ATOM 0 HH TYR A 799 12.931 9.258 -2.411 1.00 0.00 H new ATOM 921 N ILE A 800 4.073 8.357 -5.201 1.00 0.00 N ATOM 922 CA ILE A 800 2.923 7.846 -5.938 1.00 0.00 C ATOM 923 C ILE A 800 2.035 8.985 -6.429 1.00 0.00 C ATOM 924 O ILE A 800 2.110 10.107 -5.928 1.00 0.00 O ATOM 925 CB ILE A 800 2.081 6.890 -5.073 1.00 0.00 C ATOM 926 CG1 ILE A 800 1.449 7.648 -3.903 1.00 0.00 C ATOM 927 CG2 ILE A 800 2.939 5.741 -4.565 1.00 0.00 C ATOM 928 CD1 ILE A 800 0.259 6.939 -3.296 1.00 0.00 C ATOM 0 H ILE A 800 3.888 9.204 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 800 3.315 7.298 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 800 1.281 6.477 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 800 2.203 7.802 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 800 1.138 8.635 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 800 2.330 5.074 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 800 3.346 5.188 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 800 3.757 6.136 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 800 -0.138 7.533 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 800 -0.513 6.809 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 800 0.569 5.963 -2.922 1.00 0.00 H new ATOM 940 N THR A 801 1.192 8.687 -7.413 1.00 0.00 N ATOM 941 CA THR A 801 0.289 9.685 -7.973 1.00 0.00 C ATOM 942 C THR A 801 -1.156 9.201 -7.935 1.00 0.00 C ATOM 943 O THR A 801 -1.577 8.405 -8.775 1.00 0.00 O ATOM 944 CB THR A 801 0.664 10.030 -9.427 1.00 0.00 C ATOM 945 OG1 THR A 801 2.038 10.427 -9.497 1.00 0.00 O ATOM 946 CG2 THR A 801 -0.219 11.146 -9.963 1.00 0.00 C ATOM 0 H THR A 801 1.116 7.763 -7.838 1.00 0.00 H new ATOM 0 HA THR A 801 0.387 10.580 -7.358 1.00 0.00 H new ATOM 0 HB THR A 801 0.511 9.141 -10.039 1.00 0.00 H new ATOM 0 HG1 THR A 801 2.269 10.643 -10.425 1.00 0.00 H new ATOM 0 HG21 THR A 801 0.064 11.372 -10.991 1.00 0.00 H new ATOM 0 HG22 THR A 801 -1.262 10.830 -9.935 1.00 0.00 H new ATOM 0 HG23 THR A 801 -0.093 12.037 -9.348 1.00 0.00 H new ATOM 954 N LEU A 802 -1.912 9.686 -6.956 1.00 0.00 N ATOM 955 CA LEU A 802 -3.312 9.303 -6.808 1.00 0.00 C ATOM 956 C LEU A 802 -4.149 9.847 -7.962 1.00 0.00 C ATOM 957 O LEU A 802 -3.835 10.878 -8.557 1.00 0.00 O ATOM 958 CB LEU A 802 -3.863 9.815 -5.477 1.00 0.00 C ATOM 959 CG LEU A 802 -3.232 9.223 -4.216 1.00 0.00 C ATOM 960 CD1 LEU A 802 -3.729 9.951 -2.977 1.00 0.00 C ATOM 961 CD2 LEU A 802 -3.533 7.734 -4.119 1.00 0.00 C ATOM 0 H LEU A 802 -1.579 10.345 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 802 -3.370 8.215 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 802 -3.738 10.897 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -4.934 9.617 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 802 -2.152 9.352 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 802 -3.269 9.515 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -3.462 11.006 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 802 -4.813 9.854 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 802 -3.077 7.329 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 802 -4.612 7.583 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 802 -3.126 7.223 -4.992 1.00 0.00 H new ATOM 973 N PRO A 803 -5.242 9.139 -8.284 1.00 0.00 N ATOM 974 CA PRO A 803 -6.149 9.534 -9.366 1.00 0.00 C ATOM 975 C PRO A 803 -6.943 10.791 -9.028 1.00 0.00 C ATOM 976 O PRO A 803 -7.025 11.191 -7.868 1.00 0.00 O ATOM 977 CB PRO A 803 -7.085 8.330 -9.500 1.00 0.00 C ATOM 978 CG PRO A 803 -7.062 7.681 -8.160 1.00 0.00 C ATOM 979 CD PRO A 803 -5.677 7.901 -7.617 1.00 0.00 C ATOM 0 HA PRO A 803 -5.610 9.777 -10.282 1.00 0.00 H new ATOM 0 HB2 PRO A 803 -8.094 8.641 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 803 -6.742 7.647 -10.277 1.00 0.00 H new ATOM 0 HG2 PRO A 803 -7.813 8.118 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 803 -7.286 6.617 -8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 803 -5.683 8.010 -6.532 1.00 0.00 H new ATOM 0 HD3 PRO A 803 -5.017 7.066 -7.850 1.00 0.00 H new