USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 757 CYS SG : rot -110:sc= -5.03! USER MOD Set 1.2: A 760 CYS SG : rot -106:sc= -1.31 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -2.15 K(o=-13,f=-18) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.61! C(o=-13!,f=-14!) USER MOD Set 2.1: A 755 LYS NZ :NH3+ 179:sc= 0.273 (180deg=0) USER MOD Set 2.2: A 770 GLN : amide:sc= -1.99 K(o=-1.7,f=-4.1) USER MOD Set 3.1: A 730 CYS SG : rot -124:sc= -3.2 USER MOD Set 3.2: A 733 CYS SG : rot 30:sc= -1.66 USER MOD Set 3.3: A 749 HIS : no HE2:sc= -6.15! C(o=-15!,f=-21!) USER MOD Set 3.4: A 753 HIS : no HE2:sc= -4.4 K(o=-15,f=-22!) USER MOD Single : A 727 HIS : no HE2:sc= -3.49! K(o=-3.5!,f=-1.7) USER MOD Single : A 728 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0761) USER MOD Single : A 729 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.262) USER MOD Single : A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 744 SER OG : rot 91:sc= 0.0818 USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 SER OG : rot 65:sc= 1.21 USER MOD Single : A 759 MET CE :methyl -117:sc= -2.63 (180deg=-7.08!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -3.79! C(o=-3.8!,f=-8.3!) USER MOD Single : A 768 TYR OH : rot 165:sc= 0 USER MOD Single : A 771 GLN : amide:sc= -0.0486 K(o=-0.049,f=0.79) USER MOD Single : A 778 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 779 THR OG1 : rot 44:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.527 3.723 -0.623 1.00 0.00 N ATOM 74 CA HIS A 727 19.484 3.030 0.125 1.00 0.00 C ATOM 75 C HIS A 727 18.113 3.274 -0.498 1.00 0.00 C ATOM 76 O HIS A 727 17.769 4.405 -0.844 1.00 0.00 O ATOM 77 CB HIS A 727 19.483 3.489 1.583 1.00 0.00 C ATOM 78 CG HIS A 727 20.437 2.728 2.450 1.00 0.00 C ATOM 79 ND1 HIS A 727 20.947 3.230 3.629 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.975 1.494 2.304 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.756 2.336 4.171 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.790 1.276 3.387 1.00 0.00 N ATOM 0 HA HIS A 727 19.695 1.961 0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 727 19.735 4.549 1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.476 3.386 1.987 1.00 0.00 H new ATOM 0 HD1 HIS A 727 20.733 4.147 4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.796 0.809 1.488 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.297 2.454 5.098 1.00 0.00 H new ATOM 91 N LYS A 728 17.333 2.208 -0.636 1.00 0.00 N ATOM 92 CA LYS A 728 15.998 2.307 -1.214 1.00 0.00 C ATOM 93 C LYS A 728 15.015 2.899 -0.209 1.00 0.00 C ATOM 94 O LYS A 728 14.755 2.311 0.840 1.00 0.00 O ATOM 95 CB LYS A 728 15.512 0.930 -1.670 1.00 0.00 C ATOM 96 CG LYS A 728 16.145 0.460 -2.970 1.00 0.00 C ATOM 97 CD LYS A 728 15.993 -1.041 -3.152 1.00 0.00 C ATOM 98 CE LYS A 728 15.806 -1.410 -4.616 1.00 0.00 C ATOM 99 NZ LYS A 728 16.926 -0.910 -5.461 1.00 0.00 N ATOM 0 H LYS A 728 17.602 1.265 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 728 16.051 2.969 -2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.725 0.201 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.429 0.958 -1.792 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.682 0.978 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 728 17.203 0.723 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 728 16.874 -1.547 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 728 15.138 -1.394 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 728 15.735 -2.493 -4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 728 14.865 -0.996 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 16.853 -1.321 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 16.875 0.127 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 17.833 -1.186 -5.034 1.00 0.00 H new ATOM 113 N LYS A 729 14.472 4.067 -0.539 1.00 0.00 N ATOM 114 CA LYS A 729 13.520 4.739 0.335 1.00 0.00 C ATOM 115 C LYS A 729 12.107 4.664 -0.237 1.00 0.00 C ATOM 116 O LYS A 729 11.858 5.104 -1.360 1.00 0.00 O ATOM 117 CB LYS A 729 13.926 6.201 0.539 1.00 0.00 C ATOM 118 CG LYS A 729 14.455 6.497 1.934 1.00 0.00 C ATOM 119 CD LYS A 729 13.351 6.984 2.859 1.00 0.00 C ATOM 120 CE LYS A 729 13.517 8.457 3.202 1.00 0.00 C ATOM 121 NZ LYS A 729 12.239 9.208 3.064 1.00 0.00 N ATOM 0 H LYS A 729 14.676 4.566 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 729 13.528 4.230 1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 729 14.690 6.463 -0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.064 6.839 0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 729 14.909 5.598 2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 729 15.239 7.251 1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 729 12.382 6.827 2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 729 13.356 6.394 3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 729 13.885 8.552 4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.270 8.899 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 12.275 10.066 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 12.099 9.475 2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 11.449 8.608 3.376 1.00 0.00 H new ATOM 135 N CYS A 730 11.188 4.108 0.544 1.00 0.00 N ATOM 136 CA CYS A 730 9.800 3.978 0.118 1.00 0.00 C ATOM 137 C CYS A 730 9.100 5.338 0.153 1.00 0.00 C ATOM 138 O CYS A 730 9.395 6.171 1.012 1.00 0.00 O ATOM 139 CB CYS A 730 9.071 2.966 1.011 1.00 0.00 C ATOM 140 SG CYS A 730 7.268 2.976 0.853 1.00 0.00 S ATOM 0 H CYS A 730 11.379 3.740 1.476 1.00 0.00 H new ATOM 0 HA CYS A 730 9.778 3.614 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.437 1.966 0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.332 3.166 2.050 1.00 0.00 H new ATOM 0 HG CYS A 730 6.731 3.172 2.021 1.00 0.00 H new ATOM 145 N PRO A 731 8.168 5.590 -0.787 1.00 0.00 N ATOM 146 CA PRO A 731 7.440 6.852 -0.865 1.00 0.00 C ATOM 147 C PRO A 731 6.194 6.875 0.020 1.00 0.00 C ATOM 148 O PRO A 731 5.236 7.594 -0.262 1.00 0.00 O ATOM 149 CB PRO A 731 7.040 6.944 -2.348 1.00 0.00 C ATOM 150 CG PRO A 731 7.393 5.624 -2.972 1.00 0.00 C ATOM 151 CD PRO A 731 7.753 4.681 -1.856 1.00 0.00 C ATOM 0 HA PRO A 731 8.048 7.686 -0.515 1.00 0.00 H new ATOM 0 HB2 PRO A 731 5.974 7.148 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.569 7.759 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 731 6.553 5.235 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 731 8.228 5.737 -3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 731 6.905 4.065 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.555 4.001 -2.143 1.00 0.00 H new ATOM 159 N LEU A 732 6.212 6.087 1.089 1.00 0.00 N ATOM 160 CA LEU A 732 5.083 6.021 2.012 1.00 0.00 C ATOM 161 C LEU A 732 5.545 6.059 3.469 1.00 0.00 C ATOM 162 O LEU A 732 4.723 6.051 4.386 1.00 0.00 O ATOM 163 CB LEU A 732 4.276 4.745 1.764 1.00 0.00 C ATOM 164 CG LEU A 732 3.528 4.699 0.429 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.719 3.352 -0.250 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.049 4.987 0.638 1.00 0.00 C ATOM 0 H LEU A 732 6.996 5.484 1.339 1.00 0.00 H new ATOM 0 HA LEU A 732 4.456 6.894 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 732 4.951 3.891 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.554 4.628 2.572 1.00 0.00 H new ATOM 0 HG LEU A 732 3.942 5.469 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.179 3.342 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.780 3.185 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.335 2.562 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.532 4.950 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.624 4.240 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 732 1.930 5.978 1.077 1.00 0.00 H new ATOM 178 N CYS A 733 6.858 6.094 3.680 1.00 0.00 N ATOM 179 CA CYS A 733 7.413 6.124 5.026 1.00 0.00 C ATOM 180 C CYS A 733 8.769 6.825 5.038 1.00 0.00 C ATOM 181 O CYS A 733 9.172 7.434 4.047 1.00 0.00 O ATOM 182 CB CYS A 733 7.559 4.698 5.558 1.00 0.00 C ATOM 183 SG CYS A 733 8.657 3.661 4.566 1.00 0.00 S ATOM 0 H CYS A 733 7.555 6.102 2.936 1.00 0.00 H new ATOM 0 HA CYS A 733 6.732 6.682 5.668 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.936 4.738 6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.574 4.233 5.600 1.00 0.00 H new ATOM 0 HG CYS A 733 9.569 4.402 4.010 1.00 0.00 H new ATOM 188 N GLU A 734 9.469 6.734 6.166 1.00 0.00 N ATOM 189 CA GLU A 734 10.780 7.357 6.304 1.00 0.00 C ATOM 190 C GLU A 734 11.834 6.324 6.694 1.00 0.00 C ATOM 191 O GLU A 734 12.692 6.585 7.537 1.00 0.00 O ATOM 192 CB GLU A 734 10.730 8.474 7.348 1.00 0.00 C ATOM 193 CG GLU A 734 10.218 9.796 6.802 1.00 0.00 C ATOM 194 CD GLU A 734 10.304 10.919 7.818 1.00 0.00 C ATOM 195 OE1 GLU A 734 10.088 10.651 9.018 1.00 0.00 O ATOM 196 OE2 GLU A 734 10.590 12.066 7.412 1.00 0.00 O ATOM 0 H GLU A 734 9.150 6.235 6.996 1.00 0.00 H new ATOM 0 HA GLU A 734 11.056 7.784 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.091 8.160 8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 734 11.729 8.622 7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.794 10.067 5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.182 9.677 6.484 1.00 0.00 H new ATOM 203 N LEU A 735 11.763 5.150 6.074 1.00 0.00 N ATOM 204 CA LEU A 735 12.710 4.078 6.357 1.00 0.00 C ATOM 205 C LEU A 735 13.692 3.897 5.204 1.00 0.00 C ATOM 206 O LEU A 735 13.369 4.179 4.050 1.00 0.00 O ATOM 207 CB LEU A 735 11.965 2.765 6.617 1.00 0.00 C ATOM 208 CG LEU A 735 12.497 1.940 7.791 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.220 2.647 9.109 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.876 0.551 7.788 1.00 0.00 C ATOM 0 H LEU A 735 11.060 4.917 5.373 1.00 0.00 H new ATOM 0 HA LEU A 735 13.273 4.353 7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.914 2.991 6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 735 12.009 2.155 5.715 1.00 0.00 H new ATOM 0 HG LEU A 735 13.576 1.835 7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.605 2.046 9.932 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.711 3.620 9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.145 2.782 9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 735 12.265 -0.023 8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.793 0.636 7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 735 12.125 0.043 6.856 1.00 0.00 H new ATOM 222 N MET A 736 14.890 3.419 5.525 1.00 0.00 N ATOM 223 CA MET A 736 15.919 3.195 4.516 1.00 0.00 C ATOM 224 C MET A 736 16.219 1.706 4.375 1.00 0.00 C ATOM 225 O MET A 736 16.406 1.004 5.370 1.00 0.00 O ATOM 226 CB MET A 736 17.197 3.954 4.882 1.00 0.00 C ATOM 227 CG MET A 736 17.235 5.373 4.343 1.00 0.00 C ATOM 228 SD MET A 736 18.908 6.042 4.267 1.00 0.00 S ATOM 229 CE MET A 736 18.755 7.187 2.898 1.00 0.00 C ATOM 0 H MET A 736 15.172 3.179 6.476 1.00 0.00 H new ATOM 0 HA MET A 736 15.548 3.567 3.561 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.294 3.983 5.967 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.058 3.406 4.500 1.00 0.00 H new ATOM 0 HG2 MET A 736 16.795 5.391 3.346 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.620 6.014 4.974 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.712 7.681 2.728 1.00 0.00 H new ATOM 0 HE2 MET A 736 18.462 6.643 2.000 1.00 0.00 H new ATOM 0 HE3 MET A 736 17.997 7.935 3.132 1.00 0.00 H new ATOM 239 N PHE A 737 16.260 1.228 3.136 1.00 0.00 N ATOM 240 CA PHE A 737 16.534 -0.180 2.871 1.00 0.00 C ATOM 241 C PHE A 737 17.936 -0.365 2.289 1.00 0.00 C ATOM 242 O PHE A 737 18.422 0.481 1.537 1.00 0.00 O ATOM 243 CB PHE A 737 15.480 -0.750 1.915 1.00 0.00 C ATOM 244 CG PHE A 737 14.101 -0.818 2.513 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.922 -1.162 3.844 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.983 -0.540 1.741 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.656 -1.225 4.394 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.714 -0.603 2.287 1.00 0.00 C ATOM 249 CZ PHE A 737 11.552 -0.946 3.615 1.00 0.00 C ATOM 0 H PHE A 737 16.107 1.793 2.301 1.00 0.00 H new ATOM 0 HA PHE A 737 16.487 -0.722 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.447 -0.136 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.784 -1.751 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.782 -1.383 4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.105 -0.271 0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.531 -1.492 5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.851 -0.384 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.562 -0.996 4.043 1.00 0.00 H new ATOM 259 N PRO A 738 18.608 -1.477 2.638 1.00 0.00 N ATOM 260 CA PRO A 738 19.964 -1.769 2.154 1.00 0.00 C ATOM 261 C PRO A 738 20.007 -2.035 0.651 1.00 0.00 C ATOM 262 O PRO A 738 19.006 -2.426 0.052 1.00 0.00 O ATOM 263 CB PRO A 738 20.360 -3.029 2.930 1.00 0.00 C ATOM 264 CG PRO A 738 19.069 -3.664 3.311 1.00 0.00 C ATOM 265 CD PRO A 738 18.104 -2.534 3.534 1.00 0.00 C ATOM 0 HA PRO A 738 20.637 -0.926 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.964 -3.698 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.954 -2.781 3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.715 -4.331 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.181 -4.266 4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.083 -2.821 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.097 -2.210 4.575 1.00 0.00 H new ATOM 273 N PRO A 739 21.178 -1.826 0.019 1.00 0.00 N ATOM 274 CA PRO A 739 21.350 -2.047 -1.421 1.00 0.00 C ATOM 275 C PRO A 739 21.045 -3.485 -1.826 1.00 0.00 C ATOM 276 O PRO A 739 20.660 -3.752 -2.964 1.00 0.00 O ATOM 277 CB PRO A 739 22.830 -1.728 -1.666 1.00 0.00 C ATOM 278 CG PRO A 739 23.244 -0.889 -0.507 1.00 0.00 C ATOM 279 CD PRO A 739 22.422 -1.362 0.657 1.00 0.00 C ATOM 0 HA PRO A 739 20.668 -1.431 -2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.425 -2.639 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.968 -1.196 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 739 24.309 -1.001 -0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 739 23.067 0.168 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.919 -2.164 1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.234 -0.560 1.371 1.00 0.00 H new ATOM 287 N ASN A 740 21.220 -4.409 -0.885 1.00 0.00 N ATOM 288 CA ASN A 740 20.962 -5.822 -1.144 1.00 0.00 C ATOM 289 C ASN A 740 19.512 -6.188 -0.831 1.00 0.00 C ATOM 290 O ASN A 740 19.165 -7.367 -0.755 1.00 0.00 O ATOM 291 CB ASN A 740 21.908 -6.692 -0.313 1.00 0.00 C ATOM 292 CG ASN A 740 23.231 -6.937 -1.013 1.00 0.00 C ATOM 293 OD1 ASN A 740 23.695 -6.108 -1.795 1.00 0.00 O ATOM 294 ND2 ASN A 740 23.846 -8.080 -0.731 1.00 0.00 N ATOM 0 H ASN A 740 21.539 -4.205 0.062 1.00 0.00 H new ATOM 0 HA ASN A 740 21.139 -6.005 -2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.092 -6.210 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.428 -7.648 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 740 24.740 -8.300 -1.169 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.424 -8.738 -0.076 1.00 0.00 H new ATOM 301 N TYR A 741 18.668 -5.176 -0.650 1.00 0.00 N ATOM 302 CA TYR A 741 17.260 -5.401 -0.346 1.00 0.00 C ATOM 303 C TYR A 741 16.505 -5.863 -1.589 1.00 0.00 C ATOM 304 O TYR A 741 16.589 -5.238 -2.646 1.00 0.00 O ATOM 305 CB TYR A 741 16.630 -4.120 0.204 1.00 0.00 C ATOM 306 CG TYR A 741 15.275 -4.334 0.839 1.00 0.00 C ATOM 307 CD1 TYR A 741 14.121 -4.350 0.066 1.00 0.00 C ATOM 308 CD2 TYR A 741 15.150 -4.517 2.210 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.881 -4.542 0.642 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.912 -4.712 2.793 1.00 0.00 C ATOM 311 CZ TYR A 741 12.781 -4.723 2.005 1.00 0.00 C ATOM 312 OH TYR A 741 11.547 -4.915 2.582 1.00 0.00 O ATOM 0 H TYR A 741 18.935 -4.193 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 741 17.193 -6.185 0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.302 -3.683 0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.532 -3.397 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 741 14.195 -4.210 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 741 16.034 -4.507 2.830 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.993 -4.550 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.831 -4.855 3.860 1.00 0.00 H new ATOM 0 HH TYR A 741 11.652 -5.028 3.550 1.00 0.00 H new ATOM 322 N ASP A 742 15.767 -6.960 -1.453 1.00 0.00 N ATOM 323 CA ASP A 742 14.999 -7.505 -2.565 1.00 0.00 C ATOM 324 C ASP A 742 13.851 -6.571 -2.940 1.00 0.00 C ATOM 325 O ASP A 742 13.094 -6.124 -2.079 1.00 0.00 O ATOM 326 CB ASP A 742 14.453 -8.890 -2.206 1.00 0.00 C ATOM 327 CG ASP A 742 15.066 -9.990 -3.052 1.00 0.00 C ATOM 328 OD1 ASP A 742 14.537 -10.259 -4.151 1.00 0.00 O ATOM 329 OD2 ASP A 742 16.075 -10.582 -2.614 1.00 0.00 O ATOM 0 H ASP A 742 15.685 -7.488 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 742 15.663 -7.598 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.649 -9.093 -1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.371 -8.896 -2.336 1.00 0.00 H new ATOM 334 N GLN A 743 13.731 -6.280 -4.231 1.00 0.00 N ATOM 335 CA GLN A 743 12.678 -5.399 -4.720 1.00 0.00 C ATOM 336 C GLN A 743 11.301 -5.956 -4.384 1.00 0.00 C ATOM 337 O GLN A 743 10.389 -5.210 -4.028 1.00 0.00 O ATOM 338 CB GLN A 743 12.807 -5.204 -6.229 1.00 0.00 C ATOM 339 CG GLN A 743 12.412 -3.814 -6.700 1.00 0.00 C ATOM 340 CD GLN A 743 11.367 -3.843 -7.800 1.00 0.00 C ATOM 341 OE1 GLN A 743 11.677 -3.633 -8.972 1.00 0.00 O ATOM 342 NE2 GLN A 743 10.121 -4.106 -7.425 1.00 0.00 N ATOM 0 H GLN A 743 14.350 -6.641 -4.957 1.00 0.00 H new ATOM 0 HA GLN A 743 12.789 -4.434 -4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.838 -5.399 -6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 743 12.184 -5.941 -6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 743 12.027 -3.244 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.298 -3.291 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 743 9.909 -4.274 -6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.376 -4.140 -8.120 1.00 0.00 H new ATOM 351 N SER A 744 11.156 -7.274 -4.492 1.00 0.00 N ATOM 352 CA SER A 744 9.887 -7.930 -4.190 1.00 0.00 C ATOM 353 C SER A 744 9.421 -7.560 -2.787 1.00 0.00 C ATOM 354 O SER A 744 8.256 -7.221 -2.571 1.00 0.00 O ATOM 355 CB SER A 744 10.029 -9.447 -4.313 1.00 0.00 C ATOM 356 OG SER A 744 11.023 -9.793 -5.261 1.00 0.00 O ATOM 0 H SER A 744 11.900 -7.907 -4.786 1.00 0.00 H new ATOM 0 HA SER A 744 9.142 -7.589 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.285 -9.871 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 744 9.074 -9.882 -4.608 1.00 0.00 H new ATOM 0 HG SER A 744 11.889 -9.881 -4.810 1.00 0.00 H new ATOM 362 N LYS A 745 10.352 -7.604 -1.839 1.00 0.00 N ATOM 363 CA LYS A 745 10.048 -7.254 -0.461 1.00 0.00 C ATOM 364 C LYS A 745 9.678 -5.781 -0.383 1.00 0.00 C ATOM 365 O LYS A 745 8.815 -5.382 0.400 1.00 0.00 O ATOM 366 CB LYS A 745 11.248 -7.547 0.445 1.00 0.00 C ATOM 367 CG LYS A 745 11.086 -8.808 1.277 1.00 0.00 C ATOM 368 CD LYS A 745 10.018 -8.636 2.345 1.00 0.00 C ATOM 369 CE LYS A 745 10.618 -8.176 3.663 1.00 0.00 C ATOM 370 NZ LYS A 745 11.072 -9.322 4.497 1.00 0.00 N ATOM 0 H LYS A 745 11.321 -7.878 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 745 9.207 -7.857 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 745 12.143 -7.640 -0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 745 11.405 -6.699 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.822 -9.643 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 745 12.036 -9.059 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 745 9.278 -7.910 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 745 9.494 -9.580 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 745 11.461 -7.514 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 745 9.879 -7.596 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 11.475 -8.966 5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 10.263 -9.941 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 11.796 -9.862 3.981 1.00 0.00 H new ATOM 384 N PHE A 746 10.335 -4.982 -1.215 1.00 0.00 N ATOM 385 CA PHE A 746 10.081 -3.553 -1.262 1.00 0.00 C ATOM 386 C PHE A 746 8.678 -3.293 -1.789 1.00 0.00 C ATOM 387 O PHE A 746 7.963 -2.434 -1.279 1.00 0.00 O ATOM 388 CB PHE A 746 11.117 -2.860 -2.148 1.00 0.00 C ATOM 389 CG PHE A 746 10.999 -1.363 -2.150 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.115 -0.645 -0.970 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.771 -0.673 -3.330 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.006 0.734 -0.968 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.661 0.706 -3.333 1.00 0.00 C ATOM 394 CZ PHE A 746 10.780 1.409 -2.150 1.00 0.00 C ATOM 0 H PHE A 746 11.050 -5.304 -1.867 1.00 0.00 H new ATOM 0 HA PHE A 746 10.160 -3.147 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 746 12.116 -3.137 -1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 746 11.013 -3.226 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.292 -1.168 -0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.678 -1.218 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.098 1.282 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.482 1.232 -4.259 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.696 2.486 -2.150 1.00 0.00 H new ATOM 404 N GLU A 747 8.283 -4.059 -2.802 1.00 0.00 N ATOM 405 CA GLU A 747 6.955 -3.925 -3.381 1.00 0.00 C ATOM 406 C GLU A 747 5.900 -4.230 -2.326 1.00 0.00 C ATOM 407 O GLU A 747 4.876 -3.554 -2.236 1.00 0.00 O ATOM 408 CB GLU A 747 6.793 -4.868 -4.575 1.00 0.00 C ATOM 409 CG GLU A 747 7.166 -4.233 -5.905 1.00 0.00 C ATOM 410 CD GLU A 747 5.963 -3.690 -6.649 1.00 0.00 C ATOM 411 OE1 GLU A 747 4.962 -4.426 -6.777 1.00 0.00 O ATOM 412 OE2 GLU A 747 6.020 -2.528 -7.104 1.00 0.00 O ATOM 0 H GLU A 747 8.864 -4.776 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 747 6.826 -2.901 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.412 -5.751 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.758 -5.208 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 747 7.876 -3.425 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.670 -4.972 -6.528 1.00 0.00 H new ATOM 419 N GLU A 748 6.173 -5.251 -1.520 1.00 0.00 N ATOM 420 CA GLU A 748 5.263 -5.653 -0.454 1.00 0.00 C ATOM 421 C GLU A 748 5.202 -4.584 0.630 1.00 0.00 C ATOM 422 O GLU A 748 4.131 -4.269 1.150 1.00 0.00 O ATOM 423 CB GLU A 748 5.712 -6.984 0.149 1.00 0.00 C ATOM 424 CG GLU A 748 4.873 -8.170 -0.298 1.00 0.00 C ATOM 425 CD GLU A 748 5.425 -9.493 0.197 1.00 0.00 C ATOM 426 OE1 GLU A 748 6.664 -9.626 0.279 1.00 0.00 O ATOM 427 OE2 GLU A 748 4.618 -10.396 0.503 1.00 0.00 O ATOM 0 H GLU A 748 7.020 -5.816 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 748 4.267 -5.774 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.752 -7.163 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.674 -6.912 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.853 -8.047 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 748 4.823 -8.186 -1.387 1.00 0.00 H new ATOM 434 N HIS A 749 6.360 -4.024 0.960 1.00 0.00 N ATOM 435 CA HIS A 749 6.447 -2.981 1.975 1.00 0.00 C ATOM 436 C HIS A 749 5.713 -1.736 1.499 1.00 0.00 C ATOM 437 O HIS A 749 4.881 -1.178 2.213 1.00 0.00 O ATOM 438 CB HIS A 749 7.921 -2.679 2.277 1.00 0.00 C ATOM 439 CG HIS A 749 8.190 -1.283 2.748 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.260 -0.919 4.073 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.431 -0.152 2.036 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.537 0.390 4.124 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.652 0.900 2.915 1.00 0.00 N ATOM 0 H HIS A 749 7.254 -4.276 0.538 1.00 0.00 H new ATOM 0 HA HIS A 749 5.973 -3.321 2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.273 -3.378 3.036 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.507 -2.864 1.377 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.125 -1.536 4.874 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.448 -0.082 0.958 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.651 0.954 5.038 1.00 0.00 H new ATOM 451 N VAL A 750 6.011 -1.325 0.276 1.00 0.00 N ATOM 452 CA VAL A 750 5.367 -0.166 -0.319 1.00 0.00 C ATOM 453 C VAL A 750 3.854 -0.366 -0.348 1.00 0.00 C ATOM 454 O VAL A 750 3.085 0.566 -0.110 1.00 0.00 O ATOM 455 CB VAL A 750 5.876 0.074 -1.753 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.198 1.284 -2.382 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.387 0.241 -1.761 1.00 0.00 C ATOM 0 H VAL A 750 6.698 -1.780 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 750 5.612 0.704 0.290 1.00 0.00 H new ATOM 0 HB VAL A 750 5.621 -0.800 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.577 1.429 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.121 1.120 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.410 2.171 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.729 0.410 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.662 1.094 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.855 -0.661 -1.366 1.00 0.00 H new ATOM 467 N GLU A 751 3.441 -1.597 -0.636 1.00 0.00 N ATOM 468 CA GLU A 751 2.025 -1.941 -0.693 1.00 0.00 C ATOM 469 C GLU A 751 1.415 -1.955 0.704 1.00 0.00 C ATOM 470 O GLU A 751 0.222 -1.706 0.874 1.00 0.00 O ATOM 471 CB GLU A 751 1.838 -3.305 -1.357 1.00 0.00 C ATOM 472 CG GLU A 751 2.113 -3.298 -2.852 1.00 0.00 C ATOM 473 CD GLU A 751 2.391 -4.684 -3.400 1.00 0.00 C ATOM 474 OE1 GLU A 751 3.274 -5.375 -2.850 1.00 0.00 O ATOM 475 OE2 GLU A 751 1.723 -5.080 -4.378 1.00 0.00 O ATOM 0 H GLU A 751 4.070 -2.375 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 751 1.514 -1.183 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.500 -4.027 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.817 -3.646 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.257 -2.870 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.967 -2.652 -3.058 1.00 0.00 H new ATOM 482 N SER A 752 2.238 -2.247 1.708 1.00 0.00 N ATOM 483 CA SER A 752 1.770 -2.287 3.088 1.00 0.00 C ATOM 484 C SER A 752 1.155 -0.949 3.481 1.00 0.00 C ATOM 485 O SER A 752 0.149 -0.898 4.189 1.00 0.00 O ATOM 486 CB SER A 752 2.923 -2.631 4.033 1.00 0.00 C ATOM 487 OG SER A 752 3.505 -3.880 3.698 1.00 0.00 O ATOM 0 H SER A 752 3.229 -2.459 1.591 1.00 0.00 H new ATOM 0 HA SER A 752 1.007 -3.061 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.681 -1.849 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 752 2.559 -2.660 5.060 1.00 0.00 H new ATOM 0 HG SER A 752 3.919 -3.821 2.812 1.00 0.00 H new ATOM 493 N HIS A 753 1.768 0.132 3.011 1.00 0.00 N ATOM 494 CA HIS A 753 1.283 1.477 3.306 1.00 0.00 C ATOM 495 C HIS A 753 0.029 1.806 2.499 1.00 0.00 C ATOM 496 O HIS A 753 -0.752 2.677 2.880 1.00 0.00 O ATOM 497 CB HIS A 753 2.366 2.514 3.005 1.00 0.00 C ATOM 498 CG HIS A 753 3.711 2.154 3.547 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.096 2.372 4.851 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.777 1.582 2.931 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.356 1.938 4.985 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.814 1.447 3.849 1.00 0.00 N ATOM 0 H HIS A 753 2.602 0.104 2.424 1.00 0.00 H new ATOM 0 HA HIS A 753 1.032 1.509 4.366 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.442 2.644 1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 753 2.062 3.475 3.421 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.523 2.790 5.584 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.814 1.280 1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.923 1.984 5.903 1.00 0.00 H new ATOM 510 N TRP A 754 -0.155 1.111 1.380 1.00 0.00 N ATOM 511 CA TRP A 754 -1.311 1.343 0.521 1.00 0.00 C ATOM 512 C TRP A 754 -2.609 0.981 1.233 1.00 0.00 C ATOM 513 O TRP A 754 -2.605 0.240 2.217 1.00 0.00 O ATOM 514 CB TRP A 754 -1.190 0.527 -0.766 1.00 0.00 C ATOM 515 CG TRP A 754 -0.241 1.117 -1.762 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.870 1.862 -1.499 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.324 1.008 -3.185 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.482 2.226 -2.675 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.767 1.713 -3.723 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.217 0.382 -4.056 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.989 1.809 -5.095 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.998 0.477 -5.417 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.098 1.186 -5.926 1.00 0.00 C ATOM 0 H TRP A 754 0.480 0.385 1.048 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.334 2.405 0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.862 -0.482 -0.517 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.175 0.438 -1.224 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.218 2.127 -0.512 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.330 2.787 -2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.064 -0.167 -3.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.834 2.355 -5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.683 -0.003 -6.100 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.242 1.242 -6.995 1.00 0.00 H new ATOM 534 N LYS A 755 -3.718 1.500 0.719 1.00 0.00 N ATOM 535 CA LYS A 755 -5.031 1.227 1.291 1.00 0.00 C ATOM 536 C LYS A 755 -5.611 -0.035 0.674 1.00 0.00 C ATOM 537 O LYS A 755 -5.869 -0.079 -0.524 1.00 0.00 O ATOM 538 CB LYS A 755 -5.969 2.411 1.049 1.00 0.00 C ATOM 539 CG LYS A 755 -5.779 3.552 2.037 1.00 0.00 C ATOM 540 CD LYS A 755 -5.760 4.900 1.333 1.00 0.00 C ATOM 541 CE LYS A 755 -6.498 5.959 2.137 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.914 7.314 1.940 1.00 0.00 N ATOM 0 H LYS A 755 -3.734 2.114 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 755 -4.925 1.080 2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.812 2.787 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.001 2.063 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.583 3.536 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -4.846 3.411 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -4.728 5.215 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.218 4.804 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.548 5.970 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -6.465 5.700 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.456 8.009 2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.924 7.315 2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.953 7.566 0.932 1.00 0.00 H new ATOM 556 N VAL A 756 -5.800 -1.068 1.485 1.00 0.00 N ATOM 557 CA VAL A 756 -6.331 -2.328 0.982 1.00 0.00 C ATOM 558 C VAL A 756 -7.617 -2.734 1.686 1.00 0.00 C ATOM 559 O VAL A 756 -7.719 -2.678 2.912 1.00 0.00 O ATOM 560 CB VAL A 756 -5.303 -3.463 1.122 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.811 -4.739 0.465 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.976 -3.041 0.519 1.00 0.00 C ATOM 0 H VAL A 756 -5.596 -1.059 2.484 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.551 -2.164 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.156 -3.668 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -5.067 -5.527 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.741 -5.048 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.989 -4.556 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.255 -3.852 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -4.113 -2.811 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.605 -2.157 1.038 1.00 0.00 H new ATOM 572 N CYS A 757 -8.589 -3.156 0.890 1.00 0.00 N ATOM 573 CA CYS A 757 -9.876 -3.597 1.410 1.00 0.00 C ATOM 574 C CYS A 757 -9.756 -5.008 1.988 1.00 0.00 C ATOM 575 O CYS A 757 -9.218 -5.905 1.339 1.00 0.00 O ATOM 576 CB CYS A 757 -10.927 -3.560 0.300 1.00 0.00 C ATOM 577 SG CYS A 757 -12.602 -3.962 0.852 1.00 0.00 S ATOM 0 H CYS A 757 -8.510 -3.202 -0.126 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.187 -2.923 2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.932 -2.566 -0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.637 -4.260 -0.483 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.952 -5.118 0.371 1.00 0.00 H new ATOM 582 N PRO A 758 -10.237 -5.223 3.225 1.00 0.00 N ATOM 583 CA PRO A 758 -10.160 -6.524 3.888 1.00 0.00 C ATOM 584 C PRO A 758 -11.327 -7.450 3.553 1.00 0.00 C ATOM 585 O PRO A 758 -11.334 -8.615 3.951 1.00 0.00 O ATOM 586 CB PRO A 758 -10.197 -6.138 5.363 1.00 0.00 C ATOM 587 CG PRO A 758 -11.059 -4.920 5.409 1.00 0.00 C ATOM 588 CD PRO A 758 -10.878 -4.210 4.088 1.00 0.00 C ATOM 0 HA PRO A 758 -9.279 -7.086 3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.611 -6.941 5.973 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -9.197 -5.931 5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -12.104 -5.191 5.563 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.772 -4.274 6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.833 -3.881 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.254 -3.323 4.194 1.00 0.00 H new ATOM 596 N MET A 759 -12.318 -6.933 2.833 1.00 0.00 N ATOM 597 CA MET A 759 -13.483 -7.731 2.469 1.00 0.00 C ATOM 598 C MET A 759 -13.250 -8.504 1.174 1.00 0.00 C ATOM 599 O MET A 759 -13.850 -9.556 0.954 1.00 0.00 O ATOM 600 CB MET A 759 -14.707 -6.829 2.327 1.00 0.00 C ATOM 601 CG MET A 759 -15.030 -6.048 3.591 1.00 0.00 C ATOM 602 SD MET A 759 -16.404 -6.757 4.517 1.00 0.00 S ATOM 603 CE MET A 759 -15.924 -6.351 6.194 1.00 0.00 C ATOM 0 H MET A 759 -12.338 -5.972 2.492 1.00 0.00 H new ATOM 0 HA MET A 759 -13.655 -8.456 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.540 -6.129 1.508 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.569 -7.438 2.055 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.146 -6.015 4.228 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.270 -5.018 3.325 1.00 0.00 H new ATOM 0 HE1 MET A 759 -15.760 -7.269 6.758 1.00 0.00 H new ATOM 0 HE2 MET A 759 -15.004 -5.766 6.178 1.00 0.00 H new ATOM 0 HE3 MET A 759 -16.715 -5.770 6.668 1.00 0.00 H new ATOM 613 N CYS A 760 -12.379 -7.979 0.320 1.00 0.00 N ATOM 614 CA CYS A 760 -12.076 -8.632 -0.953 1.00 0.00 C ATOM 615 C CYS A 760 -10.567 -8.749 -1.179 1.00 0.00 C ATOM 616 O CYS A 760 -10.110 -9.643 -1.892 1.00 0.00 O ATOM 617 CB CYS A 760 -12.716 -7.862 -2.106 1.00 0.00 C ATOM 618 SG CYS A 760 -11.990 -6.234 -2.388 1.00 0.00 S ATOM 0 H CYS A 760 -11.872 -7.109 0.482 1.00 0.00 H new ATOM 0 HA CYS A 760 -12.491 -9.639 -0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.627 -8.452 -3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.781 -7.745 -1.905 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.804 -5.316 -1.959 1.00 0.00 H new ATOM 623 N SER A 761 -9.801 -7.841 -0.569 1.00 0.00 N ATOM 624 CA SER A 761 -8.340 -7.829 -0.692 1.00 0.00 C ATOM 625 C SER A 761 -7.884 -7.024 -1.908 1.00 0.00 C ATOM 626 O SER A 761 -6.961 -7.426 -2.619 1.00 0.00 O ATOM 627 CB SER A 761 -7.777 -9.253 -0.764 1.00 0.00 C ATOM 628 OG SER A 761 -6.582 -9.368 -0.011 1.00 0.00 O ATOM 0 H SER A 761 -10.173 -7.097 0.021 1.00 0.00 H new ATOM 0 HA SER A 761 -7.950 -7.345 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 761 -8.517 -9.959 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.583 -9.518 -1.803 1.00 0.00 H new ATOM 0 HG SER A 761 -6.244 -10.286 -0.072 1.00 0.00 H new ATOM 634 N GLU A 762 -8.521 -5.878 -2.132 1.00 0.00 N ATOM 635 CA GLU A 762 -8.161 -5.008 -3.249 1.00 0.00 C ATOM 636 C GLU A 762 -7.115 -4.002 -2.809 1.00 0.00 C ATOM 637 O GLU A 762 -7.101 -3.584 -1.652 1.00 0.00 O ATOM 638 CB GLU A 762 -9.394 -4.273 -3.782 1.00 0.00 C ATOM 639 CG GLU A 762 -9.194 -3.671 -5.164 1.00 0.00 C ATOM 640 CD GLU A 762 -10.328 -3.999 -6.114 1.00 0.00 C ATOM 641 OE1 GLU A 762 -10.949 -5.071 -5.951 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.596 -3.185 -7.022 1.00 0.00 O ATOM 0 H GLU A 762 -9.288 -5.530 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.752 -5.627 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -10.234 -4.967 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.663 -3.480 -3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.102 -2.589 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -8.257 -4.037 -5.583 1.00 0.00 H new ATOM 649 N GLN A 763 -6.235 -3.609 -3.725 1.00 0.00 N ATOM 650 CA GLN A 763 -5.199 -2.648 -3.382 1.00 0.00 C ATOM 651 C GLN A 763 -5.509 -1.280 -3.974 1.00 0.00 C ATOM 652 O GLN A 763 -5.810 -1.147 -5.160 1.00 0.00 O ATOM 653 CB GLN A 763 -3.839 -3.137 -3.888 1.00 0.00 C ATOM 654 CG GLN A 763 -2.949 -3.703 -2.793 1.00 0.00 C ATOM 655 CD GLN A 763 -1.498 -3.296 -2.954 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.671 -4.075 -3.427 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.180 -2.068 -2.559 1.00 0.00 N ATOM 0 H GLN A 763 -6.219 -3.935 -4.691 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.167 -2.555 -2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.997 -3.902 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.322 -2.309 -4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.312 -3.364 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -3.020 -4.791 -2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.898 -1.455 -2.172 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.218 -1.738 -2.642 1.00 0.00 H new ATOM 666 N PHE A 764 -5.414 -0.267 -3.127 1.00 0.00 N ATOM 667 CA PHE A 764 -5.660 1.112 -3.527 1.00 0.00 C ATOM 668 C PHE A 764 -4.411 1.968 -3.316 1.00 0.00 C ATOM 669 O PHE A 764 -3.927 2.092 -2.188 1.00 0.00 O ATOM 670 CB PHE A 764 -6.836 1.692 -2.738 1.00 0.00 C ATOM 671 CG PHE A 764 -8.127 0.954 -2.957 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.431 -0.176 -2.214 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.036 1.390 -3.907 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.616 -0.857 -2.415 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.223 0.714 -4.113 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.513 -0.412 -3.365 1.00 0.00 C ATOM 0 H PHE A 764 -5.165 -0.376 -2.144 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.909 1.121 -4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.593 1.676 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -6.972 2.737 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.733 -0.528 -1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.814 2.269 -4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.840 -1.736 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.923 1.064 -4.857 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.440 -0.943 -3.524 1.00 0.00 H new ATOM 686 N PRO A 765 -3.868 2.577 -4.385 1.00 0.00 N ATOM 687 CA PRO A 765 -2.674 3.423 -4.277 1.00 0.00 C ATOM 688 C PRO A 765 -2.888 4.586 -3.313 1.00 0.00 C ATOM 689 O PRO A 765 -4.023 4.978 -3.044 1.00 0.00 O ATOM 690 CB PRO A 765 -2.464 3.940 -5.703 1.00 0.00 C ATOM 691 CG PRO A 765 -3.183 2.967 -6.572 1.00 0.00 C ATOM 692 CD PRO A 765 -4.363 2.499 -5.769 1.00 0.00 C ATOM 0 HA PRO A 765 -1.817 2.874 -3.886 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -2.864 4.947 -5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.404 3.987 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.504 3.436 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.537 2.132 -6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.235 3.135 -5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.657 1.484 -6.037 1.00 0.00 H new ATOM 700 N PRO A 766 -1.796 5.156 -2.777 1.00 0.00 N ATOM 701 CA PRO A 766 -1.873 6.278 -1.837 1.00 0.00 C ATOM 702 C PRO A 766 -2.551 7.498 -2.450 1.00 0.00 C ATOM 703 O PRO A 766 -3.125 8.325 -1.740 1.00 0.00 O ATOM 704 CB PRO A 766 -0.407 6.585 -1.507 1.00 0.00 C ATOM 705 CG PRO A 766 0.381 5.956 -2.604 1.00 0.00 C ATOM 706 CD PRO A 766 -0.406 4.754 -3.041 1.00 0.00 C ATOM 0 HA PRO A 766 -2.470 6.029 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.230 7.660 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.128 6.175 -0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.523 6.652 -3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.373 5.668 -2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.245 4.527 -4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.129 3.863 -2.477 1.00 0.00 H new ATOM 714 N ASP A 767 -2.486 7.604 -3.773 1.00 0.00 N ATOM 715 CA ASP A 767 -3.099 8.721 -4.482 1.00 0.00 C ATOM 716 C ASP A 767 -4.594 8.483 -4.691 1.00 0.00 C ATOM 717 O ASP A 767 -5.329 9.396 -5.068 1.00 0.00 O ATOM 718 CB ASP A 767 -2.411 8.935 -5.832 1.00 0.00 C ATOM 719 CG ASP A 767 -1.348 10.015 -5.775 1.00 0.00 C ATOM 720 OD1 ASP A 767 -1.610 11.075 -5.169 1.00 0.00 O ATOM 721 OD2 ASP A 767 -0.253 9.800 -6.335 1.00 0.00 O ATOM 0 H ASP A 767 -2.015 6.930 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 767 -2.975 9.616 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -1.957 7.999 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.158 9.204 -6.579 1.00 0.00 H new ATOM 726 N TYR A 768 -5.039 7.254 -4.443 1.00 0.00 N ATOM 727 CA TYR A 768 -6.445 6.902 -4.602 1.00 0.00 C ATOM 728 C TYR A 768 -7.319 7.709 -3.651 1.00 0.00 C ATOM 729 O TYR A 768 -6.961 7.921 -2.492 1.00 0.00 O ATOM 730 CB TYR A 768 -6.648 5.407 -4.350 1.00 0.00 C ATOM 731 CG TYR A 768 -7.797 4.811 -5.130 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.602 4.290 -6.404 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.078 4.770 -4.594 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.651 3.745 -7.120 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.132 4.226 -5.303 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.914 3.715 -6.565 1.00 0.00 C ATOM 737 OH TYR A 768 -10.960 3.174 -7.275 1.00 0.00 O ATOM 0 H TYR A 768 -4.445 6.486 -4.131 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.739 7.137 -5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.731 4.876 -4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -6.821 5.247 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.615 4.311 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.253 5.170 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.483 3.345 -8.109 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.121 4.201 -4.871 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.715 3.010 -6.672 1.00 0.00 H new ATOM 747 N ASP A 769 -8.470 8.152 -4.144 1.00 0.00 N ATOM 748 CA ASP A 769 -9.398 8.931 -3.332 1.00 0.00 C ATOM 749 C ASP A 769 -9.970 8.077 -2.207 1.00 0.00 C ATOM 750 O ASP A 769 -10.612 7.056 -2.454 1.00 0.00 O ATOM 751 CB ASP A 769 -10.529 9.485 -4.202 1.00 0.00 C ATOM 752 CG ASP A 769 -10.434 10.988 -4.383 1.00 0.00 C ATOM 753 OD1 ASP A 769 -9.717 11.430 -5.305 1.00 0.00 O ATOM 754 OD2 ASP A 769 -11.076 11.722 -3.603 1.00 0.00 O ATOM 0 H ASP A 769 -8.783 7.985 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 769 -8.853 9.766 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.503 9.002 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.488 9.236 -3.748 1.00 0.00 H new ATOM 759 N GLN A 770 -9.731 8.497 -0.969 1.00 0.00 N ATOM 760 CA GLN A 770 -10.221 7.766 0.195 1.00 0.00 C ATOM 761 C GLN A 770 -11.734 7.583 0.128 1.00 0.00 C ATOM 762 O GLN A 770 -12.267 6.574 0.589 1.00 0.00 O ATOM 763 CB GLN A 770 -9.840 8.497 1.482 1.00 0.00 C ATOM 764 CG GLN A 770 -10.279 7.774 2.745 1.00 0.00 C ATOM 765 CD GLN A 770 -9.131 7.073 3.445 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.110 7.687 3.757 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.291 5.778 3.693 1.00 0.00 N ATOM 0 H GLN A 770 -9.201 9.339 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 770 -9.755 6.781 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -8.759 8.631 1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.284 9.492 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -10.734 8.490 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.047 7.042 2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.154 5.309 3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -8.551 5.253 4.159 1.00 0.00 H new ATOM 776 N GLN A 771 -12.420 8.564 -0.452 1.00 0.00 N ATOM 777 CA GLN A 771 -13.871 8.501 -0.578 1.00 0.00 C ATOM 778 C GLN A 771 -14.283 7.297 -1.418 1.00 0.00 C ATOM 779 O GLN A 771 -15.191 6.550 -1.050 1.00 0.00 O ATOM 780 CB GLN A 771 -14.406 9.787 -1.210 1.00 0.00 C ATOM 781 CG GLN A 771 -13.985 11.047 -0.474 1.00 0.00 C ATOM 782 CD GLN A 771 -14.107 12.292 -1.332 1.00 0.00 C ATOM 783 OE1 GLN A 771 -13.317 12.504 -2.252 1.00 0.00 O ATOM 784 NE2 GLN A 771 -15.099 13.122 -1.033 1.00 0.00 N ATOM 0 H GLN A 771 -11.997 9.407 -0.840 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.298 8.394 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.060 9.846 -2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.495 9.741 -1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -14.599 11.164 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -12.953 10.940 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -15.730 12.906 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -15.230 13.976 -1.575 1.00 0.00 H new ATOM 793 N VAL A 772 -13.601 7.107 -2.542 1.00 0.00 N ATOM 794 CA VAL A 772 -13.890 5.987 -3.427 1.00 0.00 C ATOM 795 C VAL A 772 -13.572 4.667 -2.737 1.00 0.00 C ATOM 796 O VAL A 772 -14.334 3.705 -2.830 1.00 0.00 O ATOM 797 CB VAL A 772 -13.087 6.079 -4.740 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.507 4.979 -5.703 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.260 7.450 -5.376 1.00 0.00 C ATOM 0 H VAL A 772 -12.845 7.714 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 772 -14.952 6.031 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.031 5.942 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.929 5.061 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.325 4.006 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.568 5.080 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.686 7.497 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.314 7.620 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -12.903 8.217 -4.689 1.00 0.00 H new ATOM 809 N PHE A 773 -12.444 4.633 -2.035 1.00 0.00 N ATOM 810 CA PHE A 773 -12.028 3.435 -1.318 1.00 0.00 C ATOM 811 C PHE A 773 -13.051 3.081 -0.244 1.00 0.00 C ATOM 812 O PHE A 773 -13.527 1.948 -0.175 1.00 0.00 O ATOM 813 CB PHE A 773 -10.650 3.642 -0.684 1.00 0.00 C ATOM 814 CG PHE A 773 -10.254 2.545 0.266 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.322 1.214 -0.121 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.823 2.847 1.546 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.965 0.207 0.755 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.466 1.844 2.426 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.536 0.522 2.030 1.00 0.00 C ATOM 0 H PHE A 773 -11.803 5.421 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.964 2.611 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.903 3.714 -1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.643 4.593 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.657 0.963 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.765 3.879 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -10.021 -0.826 0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.132 2.093 3.423 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.256 -0.264 2.716 1.00 0.00 H new ATOM 829 N GLU A 774 -13.387 4.061 0.592 1.00 0.00 N ATOM 830 CA GLU A 774 -14.356 3.854 1.659 1.00 0.00 C ATOM 831 C GLU A 774 -15.667 3.319 1.094 1.00 0.00 C ATOM 832 O GLU A 774 -16.300 2.445 1.685 1.00 0.00 O ATOM 833 CB GLU A 774 -14.605 5.160 2.417 1.00 0.00 C ATOM 834 CG GLU A 774 -13.640 5.389 3.568 1.00 0.00 C ATOM 835 CD GLU A 774 -13.746 4.322 4.639 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.769 4.301 5.356 1.00 0.00 O ATOM 837 OE2 GLU A 774 -12.808 3.507 4.761 1.00 0.00 O ATOM 0 H GLU A 774 -13.002 5.004 0.549 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.949 3.119 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.531 5.995 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.624 5.157 2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -12.620 5.412 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.835 6.365 4.012 1.00 0.00 H new ATOM 844 N ARG A 775 -16.061 3.842 -0.063 1.00 0.00 N ATOM 845 CA ARG A 775 -17.288 3.405 -0.717 1.00 0.00 C ATOM 846 C ARG A 775 -17.175 1.940 -1.120 1.00 0.00 C ATOM 847 O ARG A 775 -18.129 1.172 -0.997 1.00 0.00 O ATOM 848 CB ARG A 775 -17.569 4.263 -1.952 1.00 0.00 C ATOM 849 CG ARG A 775 -18.093 5.651 -1.627 1.00 0.00 C ATOM 850 CD ARG A 775 -18.330 6.467 -2.888 1.00 0.00 C ATOM 851 NE ARG A 775 -19.576 7.228 -2.823 1.00 0.00 N ATOM 852 CZ ARG A 775 -20.780 6.698 -3.026 1.00 0.00 C ATOM 853 NH1 ARG A 775 -20.906 5.407 -3.306 1.00 0.00 N ATOM 854 NH2 ARG A 775 -21.861 7.462 -2.951 1.00 0.00 N ATOM 0 H ARG A 775 -15.549 4.567 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.114 3.519 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -16.652 4.358 -2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -18.295 3.749 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -19.024 5.567 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -17.380 6.169 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -17.495 7.151 -3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -18.357 5.801 -3.751 1.00 0.00 H new ATOM 0 HE ARG A 775 -19.520 8.224 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -20.078 4.815 -3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -21.831 5.007 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -21.770 8.455 -2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -22.784 7.056 -3.106 1.00 0.00 H new ATOM 868 N HIS A 776 -15.994 1.562 -1.601 1.00 0.00 N ATOM 869 CA HIS A 776 -15.737 0.192 -2.023 1.00 0.00 C ATOM 870 C HIS A 776 -15.718 -0.750 -0.821 1.00 0.00 C ATOM 871 O HIS A 776 -16.352 -1.803 -0.839 1.00 0.00 O ATOM 872 CB HIS A 776 -14.408 0.119 -2.780 1.00 0.00 C ATOM 873 CG HIS A 776 -13.772 -1.237 -2.776 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.873 -2.135 -3.812 1.00 0.00 N ATOM 875 CD2 HIS A 776 -13.006 -1.842 -1.830 1.00 0.00 C ATOM 876 CE1 HIS A 776 -13.183 -3.231 -3.472 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.638 -3.100 -2.281 1.00 0.00 N ATOM 0 H HIS A 776 -15.197 2.190 -1.708 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.541 -0.123 -2.688 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.574 0.427 -3.812 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.713 0.835 -2.341 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.383 -1.992 -4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.729 -1.411 -0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -13.086 -4.108 -4.094 1.00 0.00 H new ATOM 885 N VAL A 777 -14.995 -0.366 0.224 1.00 0.00 N ATOM 886 CA VAL A 777 -14.922 -1.192 1.422 1.00 0.00 C ATOM 887 C VAL A 777 -16.293 -1.269 2.078 1.00 0.00 C ATOM 888 O VAL A 777 -16.725 -2.329 2.529 1.00 0.00 O ATOM 889 CB VAL A 777 -13.903 -0.664 2.451 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.388 -1.802 3.316 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.747 0.047 1.767 1.00 0.00 C ATOM 0 H VAL A 777 -14.458 0.500 0.267 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.589 -2.180 1.104 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.412 0.060 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.669 -1.414 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.222 -2.262 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.903 -2.547 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.046 0.408 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.237 -0.647 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.128 0.891 1.192 1.00 0.00 H new ATOM 901 N GLN A 778 -16.984 -0.131 2.103 1.00 0.00 N ATOM 902 CA GLN A 778 -18.320 -0.058 2.676 1.00 0.00 C ATOM 903 C GLN A 778 -19.283 -0.908 1.855 1.00 0.00 C ATOM 904 O GLN A 778 -20.245 -1.466 2.383 1.00 0.00 O ATOM 905 CB GLN A 778 -18.806 1.392 2.716 1.00 0.00 C ATOM 906 CG GLN A 778 -18.211 2.202 3.856 1.00 0.00 C ATOM 907 CD GLN A 778 -18.813 1.845 5.199 1.00 0.00 C ATOM 908 OE1 GLN A 778 -20.015 1.601 5.308 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.979 1.812 6.231 1.00 0.00 N ATOM 0 H GLN A 778 -16.637 0.753 1.731 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.285 -0.441 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.559 1.875 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.892 1.400 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.134 2.039 3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.366 3.263 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.990 2.021 6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.327 1.577 7.161 1.00 0.00 H new ATOM 918 N THR A 779 -19.001 -1.009 0.559 1.00 0.00 N ATOM 919 CA THR A 779 -19.820 -1.800 -0.346 1.00 0.00 C ATOM 920 C THR A 779 -19.857 -3.256 0.111 1.00 0.00 C ATOM 921 O THR A 779 -20.811 -3.984 -0.167 1.00 0.00 O ATOM 922 CB THR A 779 -19.274 -1.690 -1.776 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.536 -0.405 -2.311 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.851 -2.706 -2.738 1.00 0.00 C ATOM 0 H THR A 779 -18.207 -0.549 0.113 1.00 0.00 H new ATOM 0 HA THR A 779 -20.839 -1.414 -0.334 1.00 0.00 H new ATOM 0 HB THR A 779 -18.205 -1.880 -1.681 1.00 0.00 H new ATOM 0 HG1 THR A 779 -19.339 0.277 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.414 -2.561 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.623 -3.712 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.932 -2.578 -2.797 1.00 0.00 H new ATOM 932 N HIS A 780 -18.814 -3.668 0.823 1.00 0.00 N ATOM 933 CA HIS A 780 -18.719 -5.028 1.336 1.00 0.00 C ATOM 934 C HIS A 780 -19.427 -5.149 2.682 1.00 0.00 C ATOM 935 O HIS A 780 -19.914 -6.221 3.045 1.00 0.00 O ATOM 936 CB HIS A 780 -17.253 -5.432 1.487 1.00 0.00 C ATOM 937 CG HIS A 780 -16.500 -5.464 0.194 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.627 -6.468 -0.738 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.592 -4.589 -0.316 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.813 -6.182 -1.762 1.00 0.00 C ATOM 941 NE2 HIS A 780 -15.164 -5.053 -1.556 1.00 0.00 N ATOM 0 H HIS A 780 -18.018 -3.075 1.059 1.00 0.00 H new ATOM 0 HA HIS A 780 -19.205 -5.695 0.625 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.762 -4.735 2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -17.203 -6.417 1.951 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -17.233 -7.285 -0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.257 -3.681 0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.702 -6.797 -2.643 1.00 0.00 H new ATOM 949 N PHE A 781 -19.475 -4.045 3.420 1.00 0.00 N ATOM 950 CA PHE A 781 -20.117 -4.023 4.731 1.00 0.00 C ATOM 951 C PHE A 781 -21.635 -4.137 4.604 1.00 0.00 C ATOM 952 O PHE A 781 -22.318 -4.506 5.560 1.00 0.00 O ATOM 953 CB PHE A 781 -19.749 -2.738 5.479 1.00 0.00 C ATOM 954 CG PHE A 781 -18.267 -2.501 5.606 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.356 -3.524 5.383 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.786 -1.248 5.949 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.997 -3.299 5.502 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.429 -1.018 6.069 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.533 -2.045 5.845 1.00 0.00 C ATOM 0 H PHE A 781 -19.076 -3.151 3.132 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.757 -4.883 5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.199 -1.889 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -20.187 -2.773 6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.713 -4.507 5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.481 -0.440 6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.299 -4.104 5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -16.069 -0.036 6.338 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.472 -1.867 5.938 1.00 0.00 H new ATOM 969 N ASP A 782 -22.159 -3.818 3.424 1.00 0.00 N ATOM 970 CA ASP A 782 -23.596 -3.889 3.185 1.00 0.00 C ATOM 971 C ASP A 782 -23.981 -5.216 2.535 1.00 0.00 C ATOM 972 O ASP A 782 -25.010 -5.313 1.865 1.00 0.00 O ATOM 973 CB ASP A 782 -24.045 -2.725 2.299 1.00 0.00 C ATOM 974 CG ASP A 782 -23.336 -2.710 0.959 1.00 0.00 C ATOM 975 OD1 ASP A 782 -23.242 -3.781 0.323 1.00 0.00 O ATOM 976 OD2 ASP A 782 -22.875 -1.627 0.544 1.00 0.00 O ATOM 0 H ASP A 782 -21.611 -3.509 2.621 1.00 0.00 H new ATOM 0 HA ASP A 782 -24.100 -3.821 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -25.121 -2.790 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.857 -1.784 2.817 1.00 0.00 H new