USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 563 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 711 MET CE :methyl 152:sc= -5.16! (180deg=-2.05) USER MOD Set 1.2: A 714 MET CE :methyl 145:sc= -3.11 (180deg=-1.37) USER MOD Set 2.1: A 675 CYS SG : rot 150:sc= -0.544 USER MOD Set 2.2: A 710 MET CE :methyl 168:sc= -0.186 (180deg=-0.558) USER MOD Set 3.1: A 680 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 669 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 4.2: A 673 ASN :FLIP amide:sc= -1.24 F(o=-3,f=-1.2) USER MOD Single : A 652 CYS SG : rot 180:sc= -0.429 USER MOD Single : A 653 GLN : amide:sc= -0.0367 K(o=-0.037,f=-1.2!) USER MOD Single : A 658 ASN :FLIP amide:sc= -0.969 F(o=-2.1!,f=-0.97) USER MOD Single : A 664 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 166:sc= -2.13! (180deg=-2.64!) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 HIS :FLIP no HD1:sc= -4.64! F(o=-5.4,f=-4.6!) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -2.13 USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 708 CYS SG : rot -69:sc= -2.25 USER MOD Single : A 712 ASN :FLIP amide:sc= -0.759! C(o=-3!,f=-0.76!) USER MOD Single : A 715 LYS NZ :NH3+ 135:sc= -1.76! (180deg=-4.47!) USER MOD Single : A 717 SER OG : rot -50:sc= 0.445 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.108 -3.481 7.340 1.00 0.00 N ATOM 77 CA CYS A 652 7.736 -3.794 7.721 1.00 0.00 C ATOM 78 C CYS A 652 6.757 -3.349 6.639 1.00 0.00 C ATOM 79 O CYS A 652 5.700 -3.954 6.459 1.00 0.00 O ATOM 80 CB CYS A 652 7.387 -3.122 9.049 1.00 0.00 C ATOM 81 SG CYS A 652 8.482 -3.573 10.415 1.00 0.00 S ATOM 0 HA CYS A 652 7.655 -4.875 7.837 1.00 0.00 H new ATOM 0 HB2 CYS A 652 7.417 -2.041 8.916 1.00 0.00 H new ATOM 0 HB3 CYS A 652 6.363 -3.382 9.317 1.00 0.00 H new ATOM 0 HG CYS A 652 8.108 -2.953 11.494 1.00 0.00 H new ATOM 87 N GLN A 653 7.115 -2.288 5.924 1.00 0.00 N ATOM 88 CA GLN A 653 6.267 -1.761 4.862 1.00 0.00 C ATOM 89 C GLN A 653 6.703 -2.294 3.501 1.00 0.00 C ATOM 90 O GLN A 653 7.866 -2.649 3.307 1.00 0.00 O ATOM 91 CB GLN A 653 6.306 -0.232 4.860 1.00 0.00 C ATOM 92 CG GLN A 653 5.474 0.397 3.754 1.00 0.00 C ATOM 93 CD GLN A 653 5.308 1.894 3.928 1.00 0.00 C ATOM 94 OE1 GLN A 653 5.327 2.406 5.047 1.00 0.00 O ATOM 95 NE2 GLN A 653 5.144 2.604 2.818 1.00 0.00 N ATOM 0 H GLN A 653 7.987 -1.776 6.061 1.00 0.00 H new ATOM 0 HA GLN A 653 5.246 -2.091 5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.950 0.133 5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.340 0.097 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 653 5.945 0.197 2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.491 -0.074 3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 653 5.135 2.138 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 653 5.027 3.616 2.872 1.00 0.00 H new ATOM 104 N ILE A 654 5.764 -2.347 2.563 1.00 0.00 N ATOM 105 CA ILE A 654 6.053 -2.836 1.220 1.00 0.00 C ATOM 106 C ILE A 654 5.303 -2.026 0.167 1.00 0.00 C ATOM 107 O ILE A 654 4.431 -1.220 0.493 1.00 0.00 O ATOM 108 CB ILE A 654 5.680 -4.322 1.070 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.184 -4.523 1.323 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.503 -5.174 2.025 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.657 -5.846 0.812 1.00 0.00 C ATOM 0 H ILE A 654 4.797 -2.058 2.708 1.00 0.00 H new ATOM 0 HA ILE A 654 7.126 -2.722 1.066 1.00 0.00 H new ATOM 0 HB ILE A 654 5.903 -4.636 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.992 -4.454 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.631 -3.713 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.228 -6.222 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.563 -5.050 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.309 -4.861 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.591 -5.920 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.817 -5.910 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.183 -6.663 1.306 1.00 0.00 H new ATOM 123 N PHE A 655 5.647 -2.248 -1.097 1.00 0.00 N ATOM 124 CA PHE A 655 5.007 -1.540 -2.199 1.00 0.00 C ATOM 125 C PHE A 655 4.375 -2.521 -3.182 1.00 0.00 C ATOM 126 O PHE A 655 4.809 -3.667 -3.297 1.00 0.00 O ATOM 127 CB PHE A 655 6.023 -0.655 -2.925 1.00 0.00 C ATOM 128 CG PHE A 655 5.402 0.512 -3.636 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.953 1.614 -2.927 1.00 0.00 C ATOM 130 CD2 PHE A 655 5.266 0.507 -5.015 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.381 2.690 -3.579 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.695 1.580 -5.673 1.00 0.00 C ATOM 133 CZ PHE A 655 4.251 2.673 -4.954 1.00 0.00 C ATOM 0 H PHE A 655 6.366 -2.913 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 655 4.220 -0.911 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.751 -0.285 -2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.570 -1.261 -3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.051 1.633 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.610 -0.345 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 655 4.036 3.543 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.596 1.564 -6.748 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.803 3.512 -5.466 1.00 0.00 H new ATOM 143 N VAL A 656 3.347 -2.062 -3.889 1.00 0.00 N ATOM 144 CA VAL A 656 2.656 -2.898 -4.863 1.00 0.00 C ATOM 145 C VAL A 656 2.300 -2.104 -6.115 1.00 0.00 C ATOM 146 O VAL A 656 2.043 -0.902 -6.047 1.00 0.00 O ATOM 147 CB VAL A 656 1.370 -3.504 -4.270 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.887 -4.669 -5.121 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.602 -3.944 -2.833 1.00 0.00 C ATOM 0 H VAL A 656 2.975 -1.116 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 656 3.340 -3.704 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 656 0.594 -2.738 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.022 -5.084 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.679 -4.319 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.658 -5.439 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.683 -4.370 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.392 -4.694 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.897 -3.084 -2.232 1.00 0.00 H new ATOM 159 N ARG A 657 2.287 -2.784 -7.257 1.00 0.00 N ATOM 160 CA ARG A 657 1.964 -2.142 -8.525 1.00 0.00 C ATOM 161 C ARG A 657 1.236 -3.109 -9.454 1.00 0.00 C ATOM 162 O ARG A 657 1.369 -4.325 -9.327 1.00 0.00 O ATOM 163 CB ARG A 657 3.237 -1.628 -9.200 1.00 0.00 C ATOM 164 CG ARG A 657 3.885 -0.462 -8.472 1.00 0.00 C ATOM 165 CD ARG A 657 5.059 0.101 -9.257 1.00 0.00 C ATOM 166 NE ARG A 657 4.634 1.089 -10.245 1.00 0.00 N ATOM 167 CZ ARG A 657 5.461 1.954 -10.822 1.00 0.00 C ATOM 168 NH1 ARG A 657 6.750 1.951 -10.512 1.00 0.00 N ATOM 169 NH2 ARG A 657 4.999 2.823 -11.712 1.00 0.00 N ATOM 0 H ARG A 657 2.497 -3.780 -7.330 1.00 0.00 H new ATOM 0 HA ARG A 657 1.305 -1.298 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.955 -2.445 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 657 3.000 -1.322 -10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.146 0.322 -8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.226 -0.789 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.769 0.559 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 657 5.582 -0.712 -9.760 1.00 0.00 H new ATOM 0 HE ARG A 657 3.648 1.116 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 657 7.109 1.284 -9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 657 7.383 2.616 -10.956 1.00 0.00 H new ATOM 0 HH21 ARG A 657 4.008 2.827 -11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 657 5.635 3.487 -12.154 1.00 0.00 H new ATOM 183 N ASN A 658 0.467 -2.559 -10.388 1.00 0.00 N ATOM 184 CA ASN A 658 -0.283 -3.373 -11.338 1.00 0.00 C ATOM 185 C ASN A 658 -1.446 -4.081 -10.649 1.00 0.00 C ATOM 186 O ASN A 658 -1.606 -5.296 -10.770 1.00 0.00 O ATOM 187 CB ASN A 658 0.637 -4.402 -11.997 1.00 0.00 C ATOM 188 CG ASN A 658 0.206 -4.743 -13.410 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.459 -5.882 -13.566 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.466 -3.991 -14.349 1.00 0.00 N flip ATOM 0 H ASN A 658 0.347 -1.553 -10.507 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.687 -2.712 -12.105 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.656 -4.016 -12.014 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.651 -5.311 -11.395 1.00 0.00 H new ATOM 0 HD21 ASN A 658 0.980 -3.126 -14.182 1.00 0.00 H new ATOM 0 HD22 ASN A 658 0.168 -4.233 -15.294 1.00 0.00 H new ATOM 197 N LEU A 659 -2.254 -3.313 -9.927 1.00 0.00 N ATOM 198 CA LEU A 659 -3.403 -3.866 -9.218 1.00 0.00 C ATOM 199 C LEU A 659 -4.695 -3.599 -9.984 1.00 0.00 C ATOM 200 O LEU A 659 -4.875 -2.548 -10.600 1.00 0.00 O ATOM 201 CB LEU A 659 -3.497 -3.268 -7.813 1.00 0.00 C ATOM 202 CG LEU A 659 -2.447 -3.745 -6.810 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.340 -2.771 -5.646 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.783 -5.142 -6.309 1.00 0.00 C ATOM 0 H LEU A 659 -2.135 -2.306 -9.817 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.265 -4.944 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.425 -2.184 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.484 -3.492 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.482 -3.784 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.588 -3.127 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -2.052 -1.788 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.304 -2.699 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -2.025 -5.465 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.758 -5.129 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.808 -5.834 -7.151 1.00 0.00 H new ATOM 216 N PRO A 660 -5.619 -4.571 -9.945 1.00 0.00 N ATOM 217 CA PRO A 660 -6.911 -4.463 -10.628 1.00 0.00 C ATOM 218 C PRO A 660 -7.602 -3.131 -10.354 1.00 0.00 C ATOM 219 O PRO A 660 -7.800 -2.749 -9.201 1.00 0.00 O ATOM 220 CB PRO A 660 -7.723 -5.618 -10.035 1.00 0.00 C ATOM 221 CG PRO A 660 -6.703 -6.616 -9.606 1.00 0.00 C ATOM 222 CD PRO A 660 -5.472 -5.850 -9.230 1.00 0.00 C ATOM 0 HA PRO A 660 -6.804 -4.511 -11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.329 -5.284 -9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.406 -6.041 -10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.067 -7.200 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.489 -7.319 -10.411 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.408 -5.700 -8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.566 -6.375 -9.533 1.00 0.00 H new ATOM 230 N PHE A 661 -7.967 -2.429 -11.421 1.00 0.00 N ATOM 231 CA PHE A 661 -8.636 -1.139 -11.296 1.00 0.00 C ATOM 232 C PHE A 661 -9.669 -1.169 -10.173 1.00 0.00 C ATOM 233 O PHE A 661 -9.802 -0.211 -9.412 1.00 0.00 O ATOM 234 CB PHE A 661 -9.312 -0.761 -12.616 1.00 0.00 C ATOM 235 CG PHE A 661 -8.344 -0.347 -13.687 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.744 0.901 -13.652 1.00 0.00 C ATOM 237 CD2 PHE A 661 -8.035 -1.206 -14.729 1.00 0.00 C ATOM 238 CE1 PHE A 661 -6.854 1.285 -14.638 1.00 0.00 C ATOM 239 CE2 PHE A 661 -7.145 -0.829 -15.717 1.00 0.00 C ATOM 240 CZ PHE A 661 -6.553 0.418 -15.671 1.00 0.00 C ATOM 0 H PHE A 661 -7.811 -2.731 -12.383 1.00 0.00 H new ATOM 0 HA PHE A 661 -7.883 -0.389 -11.054 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -9.895 -1.610 -12.973 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.013 0.054 -12.436 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.974 1.582 -12.846 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -8.495 -2.182 -14.770 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -6.395 2.262 -14.601 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -6.913 -1.508 -16.524 1.00 0.00 H new ATOM 0 HZ PHE A 661 -5.856 0.715 -16.441 1.00 0.00 H new ATOM 250 N ASP A 662 -10.398 -2.276 -10.077 1.00 0.00 N ATOM 251 CA ASP A 662 -11.419 -2.432 -9.047 1.00 0.00 C ATOM 252 C ASP A 662 -10.781 -2.653 -7.679 1.00 0.00 C ATOM 253 O ASP A 662 -11.313 -2.218 -6.657 1.00 0.00 O ATOM 254 CB ASP A 662 -12.342 -3.602 -9.389 1.00 0.00 C ATOM 255 CG ASP A 662 -13.319 -3.913 -8.271 1.00 0.00 C ATOM 256 OD1 ASP A 662 -14.199 -3.070 -7.999 1.00 0.00 O ATOM 257 OD2 ASP A 662 -13.204 -5.001 -7.670 1.00 0.00 O ATOM 0 H ASP A 662 -10.301 -3.078 -10.700 1.00 0.00 H new ATOM 0 HA ASP A 662 -12.007 -1.515 -9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -12.896 -3.370 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -11.741 -4.486 -9.599 1.00 0.00 H new ATOM 262 N PHE A 663 -9.639 -3.332 -7.667 1.00 0.00 N ATOM 263 CA PHE A 663 -8.930 -3.613 -6.424 1.00 0.00 C ATOM 264 C PHE A 663 -9.051 -2.443 -5.452 1.00 0.00 C ATOM 265 O PHE A 663 -8.632 -1.325 -5.753 1.00 0.00 O ATOM 266 CB PHE A 663 -7.455 -3.904 -6.708 1.00 0.00 C ATOM 267 CG PHE A 663 -6.830 -4.851 -5.724 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.238 -6.173 -5.660 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.835 -4.418 -4.863 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.665 -7.046 -4.755 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.258 -5.287 -3.955 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.673 -6.603 -3.902 1.00 0.00 C ATOM 0 H PHE A 663 -9.185 -3.698 -8.504 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.385 -4.491 -5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.362 -4.321 -7.711 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.900 -2.966 -6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.013 -6.526 -6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.506 -3.390 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -6.993 -8.074 -4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.484 -4.937 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.223 -7.284 -3.195 1.00 0.00 H new ATOM 282 N THR A 664 -9.629 -2.708 -4.285 1.00 0.00 N ATOM 283 CA THR A 664 -9.808 -1.679 -3.269 1.00 0.00 C ATOM 284 C THR A 664 -8.809 -1.850 -2.130 1.00 0.00 C ATOM 285 O THR A 664 -7.989 -2.768 -2.145 1.00 0.00 O ATOM 286 CB THR A 664 -11.236 -1.702 -2.691 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.517 -2.988 -2.130 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.260 -1.378 -3.769 1.00 0.00 C ATOM 0 H THR A 664 -9.982 -3.628 -4.020 1.00 0.00 H new ATOM 0 HA THR A 664 -9.637 -0.720 -3.758 1.00 0.00 H new ATOM 0 HB THR A 664 -11.301 -0.944 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.426 -2.993 -1.763 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.261 -1.400 -3.338 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.061 -0.386 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.193 -2.116 -4.568 1.00 0.00 H new ATOM 296 N TRP A 665 -8.884 -0.963 -1.145 1.00 0.00 N ATOM 297 CA TRP A 665 -7.985 -1.017 0.002 1.00 0.00 C ATOM 298 C TRP A 665 -8.326 -2.197 0.905 1.00 0.00 C ATOM 299 O TRP A 665 -7.453 -2.984 1.272 1.00 0.00 O ATOM 300 CB TRP A 665 -8.061 0.287 0.797 1.00 0.00 C ATOM 301 CG TRP A 665 -9.190 0.318 1.783 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.370 0.993 1.656 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.243 -0.354 3.046 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.154 0.781 2.765 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.486 -0.043 3.631 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.363 -1.190 3.738 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.867 -0.538 4.876 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.743 -1.680 4.973 1.00 0.00 C ATOM 309 CH2 TRP A 665 -9.986 -1.354 5.531 1.00 0.00 C ATOM 0 H TRP A 665 -9.558 -0.198 -1.117 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.969 -1.149 -0.370 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.121 0.436 1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.171 1.121 0.104 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.647 1.603 0.809 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.083 1.174 2.918 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.403 -1.449 3.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.824 -0.286 5.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.070 -2.326 5.518 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.254 -1.755 6.497 1.00 0.00 H new ATOM 320 N LYS A 666 -9.601 -2.317 1.260 1.00 0.00 N ATOM 321 CA LYS A 666 -10.058 -3.402 2.119 1.00 0.00 C ATOM 322 C LYS A 666 -9.533 -4.746 1.623 1.00 0.00 C ATOM 323 O LYS A 666 -9.077 -5.573 2.412 1.00 0.00 O ATOM 324 CB LYS A 666 -11.588 -3.429 2.172 1.00 0.00 C ATOM 325 CG LYS A 666 -12.145 -4.460 3.138 1.00 0.00 C ATOM 326 CD LYS A 666 -11.972 -4.022 4.582 1.00 0.00 C ATOM 327 CE LYS A 666 -13.062 -4.598 5.474 1.00 0.00 C ATOM 328 NZ LYS A 666 -12.597 -4.767 6.878 1.00 0.00 N ATOM 0 H LYS A 666 -10.337 -1.675 0.965 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.669 -3.226 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.951 -2.442 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.974 -3.633 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.203 -4.621 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.641 -5.414 2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -10.996 -4.342 4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.992 -2.934 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.931 -3.941 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.383 -5.562 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -13.368 -5.162 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -11.783 -5.414 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -12.315 -3.843 7.264 1.00 0.00 H new ATOM 342 N MET A 667 -9.600 -4.955 0.313 1.00 0.00 N ATOM 343 CA MET A 667 -9.128 -6.198 -0.287 1.00 0.00 C ATOM 344 C MET A 667 -7.617 -6.338 -0.132 1.00 0.00 C ATOM 345 O MET A 667 -7.124 -7.360 0.346 1.00 0.00 O ATOM 346 CB MET A 667 -9.507 -6.250 -1.768 1.00 0.00 C ATOM 347 CG MET A 667 -10.945 -6.679 -2.013 1.00 0.00 C ATOM 348 SD MET A 667 -11.164 -7.499 -3.604 1.00 0.00 S ATOM 349 CE MET A 667 -10.641 -6.206 -4.727 1.00 0.00 C ATOM 0 H MET A 667 -9.976 -4.281 -0.354 1.00 0.00 H new ATOM 0 HA MET A 667 -9.607 -7.028 0.233 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.350 -5.266 -2.210 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.838 -6.940 -2.282 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.260 -7.352 -1.215 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.594 -5.804 -1.967 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.481 -6.628 -5.719 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.411 -5.437 -4.780 1.00 0.00 H new ATOM 0 HE3 MET A 667 -9.712 -5.765 -4.366 1.00 0.00 H new ATOM 359 N LEU A 668 -6.887 -5.305 -0.538 1.00 0.00 N ATOM 360 CA LEU A 668 -5.431 -5.312 -0.444 1.00 0.00 C ATOM 361 C LEU A 668 -4.977 -5.807 0.925 1.00 0.00 C ATOM 362 O LEU A 668 -4.074 -6.638 1.029 1.00 0.00 O ATOM 363 CB LEU A 668 -4.877 -3.910 -0.702 1.00 0.00 C ATOM 364 CG LEU A 668 -3.434 -3.667 -0.257 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.463 -4.397 -1.171 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.128 -2.176 -0.233 1.00 0.00 C ATOM 0 H LEU A 668 -7.279 -4.452 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.045 -5.993 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -4.946 -3.704 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.519 -3.189 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.314 -4.059 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.442 -4.212 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.667 -5.467 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.583 -4.036 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.097 -2.021 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.265 -1.760 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.802 -1.677 0.464 1.00 0.00 H new ATOM 378 N LYS A 669 -5.609 -5.293 1.974 1.00 0.00 N ATOM 379 CA LYS A 669 -5.273 -5.684 3.338 1.00 0.00 C ATOM 380 C LYS A 669 -5.493 -7.180 3.545 1.00 0.00 C ATOM 381 O LYS A 669 -4.537 -7.952 3.618 1.00 0.00 O ATOM 382 CB LYS A 669 -6.115 -4.891 4.340 1.00 0.00 C ATOM 383 CG LYS A 669 -6.136 -5.498 5.732 1.00 0.00 C ATOM 384 CD LYS A 669 -6.907 -4.627 6.709 1.00 0.00 C ATOM 385 CE LYS A 669 -6.417 -4.821 8.136 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.922 -6.090 8.729 1.00 0.00 N ATOM 0 H LYS A 669 -6.358 -4.604 1.906 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.219 -5.463 3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.728 -3.874 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.137 -4.821 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.589 -6.489 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -5.114 -5.629 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.801 -3.580 6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.969 -4.867 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.327 -4.823 8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.741 -3.980 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.267 -6.412 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.862 -5.929 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -6.990 -6.816 7.988 1.00 0.00 H new ATOM 400 N ASP A 670 -6.756 -7.581 3.637 1.00 0.00 N ATOM 401 CA ASP A 670 -7.100 -8.984 3.832 1.00 0.00 C ATOM 402 C ASP A 670 -6.318 -9.874 2.872 1.00 0.00 C ATOM 403 O ASP A 670 -6.042 -11.037 3.171 1.00 0.00 O ATOM 404 CB ASP A 670 -8.602 -9.195 3.634 1.00 0.00 C ATOM 405 CG ASP A 670 -8.968 -10.660 3.498 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.818 -11.207 2.386 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.404 -11.259 4.503 1.00 0.00 O ATOM 0 H ASP A 670 -7.559 -6.954 3.580 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.834 -9.259 4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.141 -8.766 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.927 -8.658 2.743 1.00 0.00 H new ATOM 412 N LYS A 671 -5.963 -9.322 1.717 1.00 0.00 N ATOM 413 CA LYS A 671 -5.213 -10.065 0.712 1.00 0.00 C ATOM 414 C LYS A 671 -3.827 -10.435 1.231 1.00 0.00 C ATOM 415 O LYS A 671 -3.346 -11.546 1.009 1.00 0.00 O ATOM 416 CB LYS A 671 -5.085 -9.240 -0.571 1.00 0.00 C ATOM 417 CG LYS A 671 -4.514 -10.022 -1.742 1.00 0.00 C ATOM 418 CD LYS A 671 -5.549 -10.955 -2.348 1.00 0.00 C ATOM 419 CE LYS A 671 -4.896 -12.046 -3.182 1.00 0.00 C ATOM 420 NZ LYS A 671 -5.703 -13.297 -3.190 1.00 0.00 N ATOM 0 H LYS A 671 -6.183 -8.361 1.454 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.757 -10.984 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.067 -8.856 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.448 -8.377 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.157 -9.329 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.652 -10.600 -1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -6.141 -11.409 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -6.236 -10.382 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -4.765 -11.692 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -3.902 -12.258 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -5.224 -14.016 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -5.807 -13.649 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -6.643 -13.101 -3.589 1.00 0.00 H new ATOM 434 N PHE A 672 -3.190 -9.497 1.924 1.00 0.00 N ATOM 435 CA PHE A 672 -1.859 -9.724 2.475 1.00 0.00 C ATOM 436 C PHE A 672 -1.946 -10.328 3.874 1.00 0.00 C ATOM 437 O PHE A 672 -0.960 -10.838 4.403 1.00 0.00 O ATOM 438 CB PHE A 672 -1.072 -8.413 2.521 1.00 0.00 C ATOM 439 CG PHE A 672 -0.400 -8.071 1.222 1.00 0.00 C ATOM 440 CD1 PHE A 672 -1.141 -7.620 0.142 1.00 0.00 C ATOM 441 CD2 PHE A 672 0.972 -8.200 1.082 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.526 -7.305 -1.055 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.593 -7.886 -0.113 1.00 0.00 C ATOM 444 CZ PHE A 672 0.843 -7.437 -1.182 1.00 0.00 C ATOM 0 H PHE A 672 -3.574 -8.572 2.117 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.339 -10.428 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.747 -7.603 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.317 -8.479 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.212 -7.513 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.563 -8.550 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -1.115 -6.956 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.663 -7.992 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.326 -7.189 -2.116 1.00 0.00 H new ATOM 454 N ASN A 673 -3.134 -10.266 4.466 1.00 0.00 N ATOM 455 CA ASN A 673 -3.351 -10.805 5.803 1.00 0.00 C ATOM 456 C ASN A 673 -2.876 -12.253 5.890 1.00 0.00 C ATOM 457 O ASN A 673 -2.284 -12.663 6.887 1.00 0.00 O ATOM 458 CB ASN A 673 -4.832 -10.719 6.177 1.00 0.00 C ATOM 459 CG ASN A 673 -5.182 -9.411 6.858 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.815 -8.300 6.230 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.775 -9.399 7.937 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.961 -9.848 4.041 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.771 -10.208 6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.438 -10.831 5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -5.086 -11.548 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -6.038 -10.277 8.384 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -6.003 -8.511 8.384 1.00 0.00 H new ATOM 468 N GLU A 674 -3.140 -13.020 4.837 1.00 0.00 N ATOM 469 CA GLU A 674 -2.740 -14.422 4.795 1.00 0.00 C ATOM 470 C GLU A 674 -1.308 -14.594 5.295 1.00 0.00 C ATOM 471 O GLU A 674 -0.990 -15.573 5.971 1.00 0.00 O ATOM 472 CB GLU A 674 -2.862 -14.967 3.370 1.00 0.00 C ATOM 473 CG GLU A 674 -4.266 -14.864 2.798 1.00 0.00 C ATOM 474 CD GLU A 674 -5.309 -15.512 3.689 1.00 0.00 C ATOM 475 OE1 GLU A 674 -4.984 -16.527 4.339 1.00 0.00 O ATOM 476 OE2 GLU A 674 -6.448 -15.003 3.736 1.00 0.00 O ATOM 0 H GLU A 674 -3.628 -12.695 4.003 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.406 -14.983 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -2.174 -14.424 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.551 -16.012 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.519 -13.814 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.289 -15.336 1.816 1.00 0.00 H new ATOM 483 N CYS A 675 -0.451 -13.637 4.958 1.00 0.00 N ATOM 484 CA CYS A 675 0.947 -13.683 5.372 1.00 0.00 C ATOM 485 C CYS A 675 1.084 -13.374 6.859 1.00 0.00 C ATOM 486 O CYS A 675 1.604 -14.183 7.627 1.00 0.00 O ATOM 487 CB CYS A 675 1.775 -12.691 4.554 1.00 0.00 C ATOM 488 SG CYS A 675 1.997 -13.165 2.823 1.00 0.00 S ATOM 0 H CYS A 675 -0.699 -12.820 4.400 1.00 0.00 H new ATOM 0 HA CYS A 675 1.321 -14.691 5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.294 -11.714 4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 675 2.755 -12.583 5.018 1.00 0.00 H new ATOM 0 HG CYS A 675 2.108 -12.096 2.091 1.00 0.00 H new ATOM 494 N GLY A 676 0.615 -12.196 7.260 1.00 0.00 N ATOM 495 CA GLY A 676 0.697 -11.800 8.653 1.00 0.00 C ATOM 496 C GLY A 676 -0.394 -10.822 9.043 1.00 0.00 C ATOM 497 O GLY A 676 -1.464 -10.800 8.435 1.00 0.00 O ATOM 0 H GLY A 676 0.180 -11.509 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.629 -12.686 9.284 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.671 -11.348 8.842 1.00 0.00 H new ATOM 501 N HIS A 677 -0.123 -10.011 10.061 1.00 0.00 N ATOM 502 CA HIS A 677 -1.091 -9.027 10.532 1.00 0.00 C ATOM 503 C HIS A 677 -0.871 -7.680 9.850 1.00 0.00 C ATOM 504 O HIS A 677 0.087 -6.968 10.152 1.00 0.00 O ATOM 505 CB HIS A 677 -0.989 -8.865 12.049 1.00 0.00 C ATOM 506 CG HIS A 677 -1.967 -7.882 12.614 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.076 -6.544 12.441 1.00 0.00 N flip ATOM 508 CD2 HIS A 677 -2.985 -8.240 13.472 1.00 0.00 C flip ATOM 509 CE1 HIS A 677 -3.149 -6.123 13.189 1.00 0.00 C flip ATOM 510 NE2 HIS A 677 -3.680 -7.166 13.800 1.00 0.00 N flip ATOM 0 H HIS A 677 0.758 -10.016 10.575 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.089 -9.385 10.279 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.147 -9.835 12.521 1.00 0.00 H new ATOM 0 HB3 HIS A 677 0.022 -8.547 12.305 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -3.183 -9.242 13.821 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -3.501 -5.105 13.265 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -4.490 -7.146 14.420 1.00 0.00 H new ATOM 519 N VAL A 678 -1.765 -7.337 8.927 1.00 0.00 N ATOM 520 CA VAL A 678 -1.669 -6.075 8.202 1.00 0.00 C ATOM 521 C VAL A 678 -2.301 -4.937 8.995 1.00 0.00 C ATOM 522 O VAL A 678 -3.449 -5.031 9.431 1.00 0.00 O ATOM 523 CB VAL A 678 -2.351 -6.167 6.824 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.347 -4.811 6.135 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.666 -7.216 5.960 1.00 0.00 C ATOM 0 H VAL A 678 -2.563 -7.915 8.664 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.608 -5.870 8.061 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.388 -6.470 6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.833 -4.895 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.886 -4.089 6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.319 -4.475 5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.161 -7.268 4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.620 -6.945 5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.727 -8.187 6.451 1.00 0.00 H new ATOM 535 N LEU A 679 -1.545 -3.860 9.178 1.00 0.00 N ATOM 536 CA LEU A 679 -2.030 -2.700 9.918 1.00 0.00 C ATOM 537 C LEU A 679 -2.410 -1.568 8.969 1.00 0.00 C ATOM 538 O LEU A 679 -3.560 -1.129 8.937 1.00 0.00 O ATOM 539 CB LEU A 679 -0.966 -2.219 10.905 1.00 0.00 C ATOM 540 CG LEU A 679 -0.337 -3.294 11.792 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.988 -2.810 12.360 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.289 -3.684 12.914 1.00 0.00 C ATOM 0 H LEU A 679 -0.593 -3.766 8.824 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.920 -2.999 10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.171 -1.731 10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.413 -1.461 11.549 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.146 -4.176 11.181 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.421 -3.588 12.989 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.672 -2.581 11.543 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.822 -1.913 12.956 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.825 -4.450 13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.511 -2.808 13.523 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.214 -4.074 12.488 1.00 0.00 H new ATOM 554 N TYR A 680 -1.436 -1.101 8.195 1.00 0.00 N ATOM 555 CA TYR A 680 -1.668 -0.020 7.244 1.00 0.00 C ATOM 556 C TYR A 680 -1.869 -0.568 5.835 1.00 0.00 C ATOM 557 O TYR A 680 -1.066 -1.360 5.344 1.00 0.00 O ATOM 558 CB TYR A 680 -0.494 0.960 7.259 1.00 0.00 C ATOM 559 CG TYR A 680 -0.569 2.012 6.176 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.772 2.634 5.866 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.564 2.385 5.462 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.845 3.594 4.876 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.500 3.346 4.472 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.707 3.947 4.182 1.00 0.00 C ATOM 565 OH TYR A 680 -0.776 4.905 3.196 1.00 0.00 O ATOM 0 H TYR A 680 -0.479 -1.454 8.208 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.575 0.505 7.543 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.456 1.453 8.230 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.436 0.402 7.148 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.665 2.362 6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.511 1.915 5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.789 4.066 4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.390 3.625 3.928 1.00 0.00 H new ATOM 0 HH TYR A 680 0.113 5.037 2.806 1.00 0.00 H new ATOM 575 N ALA A 681 -2.949 -0.138 5.189 1.00 0.00 N ATOM 576 CA ALA A 681 -3.256 -0.582 3.835 1.00 0.00 C ATOM 577 C ALA A 681 -4.171 0.411 3.126 1.00 0.00 C ATOM 578 O ALA A 681 -5.273 0.697 3.593 1.00 0.00 O ATOM 579 CB ALA A 681 -3.895 -1.962 3.865 1.00 0.00 C ATOM 0 H ALA A 681 -3.625 0.517 5.582 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.322 -0.638 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.119 -2.281 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.207 -2.672 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.817 -1.923 4.445 1.00 0.00 H new ATOM 585 N ASP A 682 -3.705 0.935 1.997 1.00 0.00 N ATOM 586 CA ASP A 682 -4.482 1.896 1.223 1.00 0.00 C ATOM 587 C ASP A 682 -4.095 1.846 -0.251 1.00 0.00 C ATOM 588 O ASP A 682 -2.994 1.418 -0.600 1.00 0.00 O ATOM 589 CB ASP A 682 -4.275 3.309 1.770 1.00 0.00 C ATOM 590 CG ASP A 682 -5.434 4.231 1.446 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.152 3.957 0.463 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.622 5.228 2.176 1.00 0.00 O ATOM 0 H ASP A 682 -2.794 0.710 1.598 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.535 1.631 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.144 3.261 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.357 3.725 1.355 1.00 0.00 H new ATOM 597 N ILE A 683 -5.006 2.286 -1.112 1.00 0.00 N ATOM 598 CA ILE A 683 -4.759 2.291 -2.549 1.00 0.00 C ATOM 599 C ILE A 683 -4.344 3.677 -3.030 1.00 0.00 C ATOM 600 O ILE A 683 -5.179 4.569 -3.185 1.00 0.00 O ATOM 601 CB ILE A 683 -6.004 1.838 -3.336 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.387 0.409 -2.947 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.748 1.935 -4.832 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.358 -0.624 -3.350 1.00 0.00 C ATOM 0 H ILE A 683 -5.922 2.644 -0.840 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.947 1.587 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.835 2.498 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.534 0.362 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.342 0.159 -3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.636 1.612 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.517 2.967 -5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.907 1.296 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.696 -1.614 -3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.228 -0.605 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.408 -0.399 -2.866 1.00 0.00 H new ATOM 616 N LYS A 684 -3.049 3.851 -3.268 1.00 0.00 N ATOM 617 CA LYS A 684 -2.521 5.128 -3.736 1.00 0.00 C ATOM 618 C LYS A 684 -3.190 5.548 -5.041 1.00 0.00 C ATOM 619 O LYS A 684 -3.421 4.723 -5.924 1.00 0.00 O ATOM 620 CB LYS A 684 -1.006 5.035 -3.933 1.00 0.00 C ATOM 621 CG LYS A 684 -0.256 4.592 -2.689 1.00 0.00 C ATOM 622 CD LYS A 684 -0.117 5.726 -1.688 1.00 0.00 C ATOM 623 CE LYS A 684 0.587 5.268 -0.420 1.00 0.00 C ATOM 624 NZ LYS A 684 1.018 6.418 0.422 1.00 0.00 N ATOM 0 H LYS A 684 -2.345 3.124 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.737 5.882 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -0.796 4.335 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.629 6.008 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.781 3.758 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.733 4.230 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 684 0.442 6.545 -2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.104 6.114 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 684 -0.081 4.627 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 684 1.456 4.666 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 1.494 6.064 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 1.676 7.016 -0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 0.186 6.979 0.696 1.00 0.00 H new ATOM 724 N LYS A 691 -4.278 3.817 -9.636 1.00 0.00 N ATOM 725 CA LYS A 691 -3.003 3.518 -10.277 1.00 0.00 C ATOM 726 C LYS A 691 -2.598 2.067 -10.035 1.00 0.00 C ATOM 727 O LYS A 691 -1.452 1.685 -10.268 1.00 0.00 O ATOM 728 CB LYS A 691 -1.913 4.457 -9.754 1.00 0.00 C ATOM 729 CG LYS A 691 -2.100 5.903 -10.180 1.00 0.00 C ATOM 730 CD LYS A 691 -1.879 6.077 -11.673 1.00 0.00 C ATOM 731 CE LYS A 691 -1.993 7.537 -12.086 1.00 0.00 C ATOM 732 NZ LYS A 691 -3.411 7.949 -12.280 1.00 0.00 N ATOM 0 HA LYS A 691 -3.121 3.669 -11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.894 4.407 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.943 4.106 -10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.106 6.233 -9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.404 6.538 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -0.894 5.697 -11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -2.611 5.484 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -1.533 8.167 -11.325 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -1.438 7.697 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -3.446 8.950 -12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -3.843 7.365 -13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -3.935 7.820 -11.391 1.00 0.00 H new ATOM 746 N GLY A 692 -3.548 1.263 -9.566 1.00 0.00 N ATOM 747 CA GLY A 692 -3.270 -0.136 -9.301 1.00 0.00 C ATOM 748 C GLY A 692 -2.070 -0.329 -8.396 1.00 0.00 C ATOM 749 O GLY A 692 -1.410 -1.367 -8.441 1.00 0.00 O ATOM 0 H GLY A 692 -4.504 1.556 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -4.145 -0.596 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -3.096 -0.653 -10.244 1.00 0.00 H new ATOM 753 N CYS A 693 -1.785 0.675 -7.574 1.00 0.00 N ATOM 754 CA CYS A 693 -0.653 0.613 -6.655 1.00 0.00 C ATOM 755 C CYS A 693 -1.093 0.923 -5.228 1.00 0.00 C ATOM 756 O CYS A 693 -1.945 1.782 -5.003 1.00 0.00 O ATOM 757 CB CYS A 693 0.437 1.593 -7.090 1.00 0.00 C ATOM 758 SG CYS A 693 -0.056 3.331 -7.007 1.00 0.00 S ATOM 0 H CYS A 693 -2.321 1.541 -7.525 1.00 0.00 H new ATOM 0 HA CYS A 693 -0.252 -0.400 -6.679 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.315 1.445 -6.461 1.00 0.00 H new ATOM 0 HB3 CYS A 693 0.734 1.359 -8.112 1.00 0.00 H new ATOM 0 HG CYS A 693 0.933 4.082 -7.392 1.00 0.00 H new ATOM 764 N GLY A 694 -0.508 0.215 -4.267 1.00 0.00 N ATOM 765 CA GLY A 694 -0.854 0.428 -2.874 1.00 0.00 C ATOM 766 C GLY A 694 0.299 0.126 -1.937 1.00 0.00 C ATOM 767 O GLY A 694 1.437 -0.041 -2.376 1.00 0.00 O ATOM 0 H GLY A 694 0.199 -0.502 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -1.169 1.462 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.704 -0.202 -2.614 1.00 0.00 H new ATOM 771 N VAL A 695 0.005 0.056 -0.643 1.00 0.00 N ATOM 772 CA VAL A 695 1.026 -0.227 0.359 1.00 0.00 C ATOM 773 C VAL A 695 0.482 -1.134 1.457 1.00 0.00 C ATOM 774 O VAL A 695 -0.728 -1.211 1.671 1.00 0.00 O ATOM 775 CB VAL A 695 1.562 1.069 0.996 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.464 1.810 0.021 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.412 1.954 1.450 1.00 0.00 C ATOM 0 H VAL A 695 -0.932 0.191 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 695 1.842 -0.734 -0.155 1.00 0.00 H new ATOM 0 HB VAL A 695 2.154 0.805 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 695 2.833 2.723 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.307 1.174 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 695 1.899 2.065 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 695 0.809 2.865 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -0.209 2.212 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -0.189 1.420 2.186 1.00 0.00 H new ATOM 787 N VAL A 696 1.384 -1.818 2.153 1.00 0.00 N ATOM 788 CA VAL A 696 0.995 -2.719 3.231 1.00 0.00 C ATOM 789 C VAL A 696 2.053 -2.752 4.329 1.00 0.00 C ATOM 790 O VAL A 696 3.199 -3.134 4.091 1.00 0.00 O ATOM 791 CB VAL A 696 0.766 -4.151 2.712 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.391 -5.081 3.856 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.305 -4.161 1.632 1.00 0.00 C ATOM 0 H VAL A 696 2.389 -1.765 1.990 1.00 0.00 H new ATOM 0 HA VAL A 696 0.061 -2.335 3.641 1.00 0.00 H new ATOM 0 HB VAL A 696 1.696 -4.512 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.233 -6.088 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.196 -5.096 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.525 -4.726 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.454 -5.181 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.240 -3.780 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.010 -3.530 0.801 1.00 0.00 H new ATOM 803 N LYS A 697 1.661 -2.348 5.533 1.00 0.00 N ATOM 804 CA LYS A 697 2.574 -2.332 6.669 1.00 0.00 C ATOM 805 C LYS A 697 2.263 -3.472 7.634 1.00 0.00 C ATOM 806 O LYS A 697 1.100 -3.746 7.932 1.00 0.00 O ATOM 807 CB LYS A 697 2.486 -0.991 7.402 1.00 0.00 C ATOM 808 CG LYS A 697 3.757 -0.620 8.146 1.00 0.00 C ATOM 809 CD LYS A 697 3.481 0.380 9.256 1.00 0.00 C ATOM 810 CE LYS A 697 2.903 -0.301 10.488 1.00 0.00 C ATOM 811 NZ LYS A 697 3.054 0.539 11.708 1.00 0.00 N ATOM 0 H LYS A 697 0.717 -2.027 5.747 1.00 0.00 H new ATOM 0 HA LYS A 697 3.587 -2.466 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.255 -0.207 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.658 -1.027 8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.208 -1.518 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.479 -0.199 7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 697 4.405 0.894 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.786 1.139 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 697 1.847 -0.515 10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 697 3.402 -1.258 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 2.648 0.040 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 4.063 0.722 11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 2.556 1.442 11.572 1.00 0.00 H new ATOM 825 N PHE A 698 3.308 -4.132 8.121 1.00 0.00 N ATOM 826 CA PHE A 698 3.145 -5.242 9.052 1.00 0.00 C ATOM 827 C PHE A 698 3.672 -4.872 10.436 1.00 0.00 C ATOM 828 O PHE A 698 4.258 -3.806 10.623 1.00 0.00 O ATOM 829 CB PHE A 698 3.873 -6.483 8.532 1.00 0.00 C ATOM 830 CG PHE A 698 3.309 -7.013 7.245 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.754 -6.527 6.026 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.333 -7.997 7.254 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.237 -7.013 4.840 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.813 -8.487 6.071 1.00 0.00 C ATOM 835 CZ PHE A 698 2.265 -7.994 4.862 1.00 0.00 C ATOM 0 H PHE A 698 4.277 -3.917 7.886 1.00 0.00 H new ATOM 0 HA PHE A 698 2.081 -5.462 9.134 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.926 -6.242 8.386 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.827 -7.266 9.289 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.514 -5.760 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.975 -8.385 8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.593 -6.626 3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 698 1.054 -9.255 6.092 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.859 -8.375 3.936 1.00 0.00 H new ATOM 845 N GLU A 699 3.458 -5.761 11.401 1.00 0.00 N ATOM 846 CA GLU A 699 3.910 -5.527 12.768 1.00 0.00 C ATOM 847 C GLU A 699 5.401 -5.820 12.905 1.00 0.00 C ATOM 848 O GLU A 699 6.129 -5.089 13.577 1.00 0.00 O ATOM 849 CB GLU A 699 3.117 -6.396 13.746 1.00 0.00 C ATOM 850 CG GLU A 699 1.647 -6.022 13.838 1.00 0.00 C ATOM 851 CD GLU A 699 0.901 -6.836 14.877 1.00 0.00 C ATOM 852 OE1 GLU A 699 1.089 -6.574 16.084 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.130 -7.736 14.483 1.00 0.00 O ATOM 0 H GLU A 699 2.975 -6.649 11.262 1.00 0.00 H new ATOM 0 HA GLU A 699 3.740 -4.477 13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.199 -7.439 13.441 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.566 -6.317 14.736 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.560 -4.963 14.081 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.178 -6.165 12.865 1.00 0.00 H new ATOM 860 N SER A 700 5.849 -6.894 12.263 1.00 0.00 N ATOM 861 CA SER A 700 7.253 -7.287 12.317 1.00 0.00 C ATOM 862 C SER A 700 7.930 -7.068 10.967 1.00 0.00 C ATOM 863 O SER A 700 7.310 -7.175 9.909 1.00 0.00 O ATOM 864 CB SER A 700 7.378 -8.754 12.731 1.00 0.00 C ATOM 865 OG SER A 700 6.541 -9.045 13.837 1.00 0.00 O ATOM 0 H SER A 700 5.261 -7.508 11.699 1.00 0.00 H new ATOM 0 HA SER A 700 7.751 -6.664 13.060 1.00 0.00 H new ATOM 0 HB2 SER A 700 7.112 -9.396 11.891 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.414 -8.976 12.987 1.00 0.00 H new ATOM 0 HG SER A 700 6.638 -9.989 14.081 1.00 0.00 H new ATOM 871 N PRO A 701 9.233 -6.754 11.004 1.00 0.00 N ATOM 872 CA PRO A 701 10.024 -6.514 9.794 1.00 0.00 C ATOM 873 C PRO A 701 10.254 -7.789 8.989 1.00 0.00 C ATOM 874 O PRO A 701 10.603 -7.735 7.810 1.00 0.00 O ATOM 875 CB PRO A 701 11.352 -5.979 10.338 1.00 0.00 C ATOM 876 CG PRO A 701 11.447 -6.534 11.717 1.00 0.00 C ATOM 877 CD PRO A 701 10.036 -6.610 12.231 1.00 0.00 C ATOM 0 HA PRO A 701 9.522 -5.831 9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 701 12.191 -6.303 9.722 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.366 -4.889 10.348 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.913 -7.519 11.710 1.00 0.00 H new ATOM 0 HG3 PRO A 701 12.060 -5.896 12.353 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.898 -7.457 12.903 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.762 -5.714 12.788 1.00 0.00 H new ATOM 885 N GLU A 702 10.054 -8.934 9.633 1.00 0.00 N ATOM 886 CA GLU A 702 10.240 -10.223 8.976 1.00 0.00 C ATOM 887 C GLU A 702 9.046 -10.557 8.087 1.00 0.00 C ATOM 888 O GLU A 702 9.207 -10.925 6.923 1.00 0.00 O ATOM 889 CB GLU A 702 10.441 -11.327 10.016 1.00 0.00 C ATOM 890 CG GLU A 702 9.914 -12.682 9.574 1.00 0.00 C ATOM 891 CD GLU A 702 10.694 -13.835 10.175 1.00 0.00 C ATOM 892 OE1 GLU A 702 10.493 -14.128 11.372 1.00 0.00 O ATOM 893 OE2 GLU A 702 11.506 -14.445 9.447 1.00 0.00 O ATOM 0 H GLU A 702 9.763 -8.996 10.609 1.00 0.00 H new ATOM 0 HA GLU A 702 11.130 -10.158 8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.504 -11.415 10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 702 9.944 -11.037 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 702 8.865 -12.770 9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 702 9.956 -12.747 8.487 1.00 0.00 H new ATOM 900 N VAL A 703 7.846 -10.427 8.644 1.00 0.00 N ATOM 901 CA VAL A 703 6.624 -10.714 7.903 1.00 0.00 C ATOM 902 C VAL A 703 6.655 -10.072 6.521 1.00 0.00 C ATOM 903 O VAL A 703 6.256 -10.685 5.531 1.00 0.00 O ATOM 904 CB VAL A 703 5.378 -10.216 8.660 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.114 -10.528 7.873 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.318 -10.833 10.049 1.00 0.00 C ATOM 0 H VAL A 703 7.694 -10.125 9.606 1.00 0.00 H new ATOM 0 HA VAL A 703 6.567 -11.797 7.796 1.00 0.00 H new ATOM 0 HB VAL A 703 5.449 -9.134 8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.245 -10.169 8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.158 -10.034 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.032 -11.605 7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.432 -10.471 10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.270 -11.919 9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.209 -10.553 10.611 1.00 0.00 H new ATOM 916 N ALA A 704 7.133 -8.833 6.461 1.00 0.00 N ATOM 917 CA ALA A 704 7.219 -8.108 5.199 1.00 0.00 C ATOM 918 C ALA A 704 8.101 -8.848 4.199 1.00 0.00 C ATOM 919 O ALA A 704 7.640 -9.251 3.132 1.00 0.00 O ATOM 920 CB ALA A 704 7.750 -6.701 5.434 1.00 0.00 C ATOM 0 H ALA A 704 7.466 -8.311 7.271 1.00 0.00 H new ATOM 0 HA ALA A 704 6.216 -8.041 4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.809 -6.171 4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 704 7.079 -6.166 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.743 -6.757 5.881 1.00 0.00 H new ATOM 926 N GLU A 705 9.370 -9.023 4.553 1.00 0.00 N ATOM 927 CA GLU A 705 10.316 -9.714 3.684 1.00 0.00 C ATOM 928 C GLU A 705 9.705 -10.995 3.124 1.00 0.00 C ATOM 929 O GLU A 705 10.010 -11.402 2.003 1.00 0.00 O ATOM 930 CB GLU A 705 11.600 -10.041 4.450 1.00 0.00 C ATOM 931 CG GLU A 705 12.561 -8.868 4.555 1.00 0.00 C ATOM 932 CD GLU A 705 13.947 -9.288 5.006 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.043 -10.182 5.873 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.934 -8.723 4.492 1.00 0.00 O ATOM 0 H GLU A 705 9.767 -8.696 5.434 1.00 0.00 H new ATOM 0 HA GLU A 705 10.556 -9.052 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.339 -10.377 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.106 -10.871 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.632 -8.374 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.161 -8.137 5.257 1.00 0.00 H new ATOM 941 N ARG A 706 8.841 -11.625 3.913 1.00 0.00 N ATOM 942 CA ARG A 706 8.187 -12.861 3.498 1.00 0.00 C ATOM 943 C ARG A 706 7.001 -12.568 2.585 1.00 0.00 C ATOM 944 O ARG A 706 6.812 -13.229 1.564 1.00 0.00 O ATOM 945 CB ARG A 706 7.721 -13.652 4.721 1.00 0.00 C ATOM 946 CG ARG A 706 7.350 -15.093 4.409 1.00 0.00 C ATOM 947 CD ARG A 706 6.476 -15.692 5.500 1.00 0.00 C ATOM 948 NE ARG A 706 6.267 -17.124 5.309 1.00 0.00 N ATOM 949 CZ ARG A 706 5.418 -17.846 6.032 1.00 0.00 C ATOM 950 NH1 ARG A 706 4.701 -17.271 6.988 1.00 0.00 N ATOM 951 NH2 ARG A 706 5.283 -19.145 5.798 1.00 0.00 N ATOM 0 H ARG A 706 8.577 -11.300 4.843 1.00 0.00 H new ATOM 0 HA ARG A 706 8.911 -13.458 2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.511 -13.644 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.859 -13.151 5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.824 -15.136 3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.257 -15.688 4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 706 6.940 -15.520 6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.512 -15.183 5.512 1.00 0.00 H new ATOM 0 HE ARG A 706 6.802 -17.596 4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 706 4.801 -16.272 7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 706 4.050 -17.827 7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 706 5.831 -19.590 5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 706 4.631 -19.698 6.354 1.00 0.00 H new ATOM 965 N ALA A 707 6.204 -11.572 2.960 1.00 0.00 N ATOM 966 CA ALA A 707 5.037 -11.191 2.174 1.00 0.00 C ATOM 967 C ALA A 707 5.440 -10.740 0.775 1.00 0.00 C ATOM 968 O ALA A 707 5.056 -11.355 -0.221 1.00 0.00 O ATOM 969 CB ALA A 707 4.261 -10.090 2.882 1.00 0.00 C ATOM 0 H ALA A 707 6.345 -11.015 3.803 1.00 0.00 H new ATOM 0 HA ALA A 707 4.396 -12.067 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.392 -9.815 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.932 -10.447 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.903 -9.218 3.012 1.00 0.00 H new ATOM 975 N CYS A 708 6.215 -9.663 0.706 1.00 0.00 N ATOM 976 CA CYS A 708 6.670 -9.129 -0.573 1.00 0.00 C ATOM 977 C CYS A 708 7.210 -10.241 -1.466 1.00 0.00 C ATOM 978 O CYS A 708 7.138 -10.156 -2.692 1.00 0.00 O ATOM 979 CB CYS A 708 7.748 -8.067 -0.351 1.00 0.00 C ATOM 980 SG CYS A 708 9.204 -8.667 0.536 1.00 0.00 S ATOM 0 H CYS A 708 6.541 -9.143 1.520 1.00 0.00 H new ATOM 0 HA CYS A 708 5.816 -8.671 -1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.061 -7.675 -1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 708 7.315 -7.235 0.205 1.00 0.00 H new ATOM 0 HG CYS A 708 8.888 -8.914 1.772 1.00 0.00 H new ATOM 986 N ARG A 709 7.752 -11.282 -0.843 1.00 0.00 N ATOM 987 CA ARG A 709 8.308 -12.410 -1.581 1.00 0.00 C ATOM 988 C ARG A 709 7.241 -13.470 -1.837 1.00 0.00 C ATOM 989 O ARG A 709 7.339 -14.245 -2.788 1.00 0.00 O ATOM 990 CB ARG A 709 9.478 -13.024 -0.811 1.00 0.00 C ATOM 991 CG ARG A 709 10.818 -12.376 -1.120 1.00 0.00 C ATOM 992 CD ARG A 709 11.977 -13.267 -0.704 1.00 0.00 C ATOM 993 NE ARG A 709 13.157 -13.056 -1.538 1.00 0.00 N ATOM 994 CZ ARG A 709 13.974 -12.017 -1.407 1.00 0.00 C ATOM 995 NH1 ARG A 709 13.740 -11.099 -0.480 1.00 0.00 N ATOM 996 NH2 ARG A 709 15.027 -11.894 -2.205 1.00 0.00 N ATOM 0 H ARG A 709 7.818 -11.368 0.171 1.00 0.00 H new ATOM 0 HA ARG A 709 8.668 -12.042 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.282 -12.941 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.536 -14.087 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 709 10.884 -12.166 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.889 -11.420 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 709 12.230 -13.070 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.672 -14.311 -0.766 1.00 0.00 H new ATOM 0 HE ARG A 709 13.365 -13.745 -2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 709 12.931 -11.190 0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 709 14.369 -10.302 -0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 709 15.210 -12.598 -2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 709 15.654 -11.096 -2.103 1.00 0.00 H new ATOM 1010 N MET A 710 6.224 -13.498 -0.982 1.00 0.00 N ATOM 1011 CA MET A 710 5.139 -14.463 -1.117 1.00 0.00 C ATOM 1012 C MET A 710 4.046 -13.927 -2.037 1.00 0.00 C ATOM 1013 O MET A 710 3.156 -14.667 -2.454 1.00 0.00 O ATOM 1014 CB MET A 710 4.550 -14.794 0.255 1.00 0.00 C ATOM 1015 CG MET A 710 5.225 -15.973 0.938 1.00 0.00 C ATOM 1016 SD MET A 710 4.542 -16.314 2.571 1.00 0.00 S ATOM 1017 CE MET A 710 2.864 -16.773 2.147 1.00 0.00 C ATOM 0 H MET A 710 6.129 -12.864 -0.189 1.00 0.00 H new ATOM 0 HA MET A 710 5.547 -15.372 -1.558 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.631 -13.917 0.897 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.487 -15.009 0.143 1.00 0.00 H new ATOM 0 HG2 MET A 710 5.120 -16.859 0.312 1.00 0.00 H new ATOM 0 HG3 MET A 710 6.292 -15.772 1.030 1.00 0.00 H new ATOM 0 HE1 MET A 710 2.377 -17.214 3.016 1.00 0.00 H new ATOM 0 HE2 MET A 710 2.313 -15.887 1.833 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.880 -17.498 1.333 1.00 0.00 H new ATOM 1027 N MET A 711 4.121 -12.637 -2.348 1.00 0.00 N ATOM 1028 CA MET A 711 3.138 -12.004 -3.219 1.00 0.00 C ATOM 1029 C MET A 711 3.762 -11.625 -4.559 1.00 0.00 C ATOM 1030 O MET A 711 3.063 -11.481 -5.561 1.00 0.00 O ATOM 1031 CB MET A 711 2.554 -10.760 -2.546 1.00 0.00 C ATOM 1032 CG MET A 711 1.815 -11.060 -1.252 1.00 0.00 C ATOM 1033 SD MET A 711 0.502 -12.277 -1.468 1.00 0.00 S ATOM 1034 CE MET A 711 -0.945 -11.280 -1.123 1.00 0.00 C ATOM 0 H MET A 711 4.851 -12.010 -2.010 1.00 0.00 H new ATOM 0 HA MET A 711 2.337 -12.720 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.360 -10.056 -2.340 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.871 -10.268 -3.239 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.524 -11.425 -0.509 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.389 -10.137 -0.859 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.801 -11.682 -1.664 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.152 -11.297 -0.053 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.764 -10.253 -1.441 1.00 0.00 H new ATOM 1044 N ASN A 712 5.081 -11.465 -4.568 1.00 0.00 N ATOM 1045 CA ASN A 712 5.799 -11.102 -5.784 1.00 0.00 C ATOM 1046 C ASN A 712 5.273 -11.889 -6.981 1.00 0.00 C ATOM 1047 O ASN A 712 5.364 -13.115 -7.020 1.00 0.00 O ATOM 1048 CB ASN A 712 7.298 -11.356 -5.612 1.00 0.00 C ATOM 1049 CG ASN A 712 7.695 -12.765 -6.009 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.932 -12.971 -7.299 1.00 0.00 O flip ATOM 1051 ND2 ASN A 712 7.787 -13.657 -5.165 1.00 0.00 N flip ATOM 0 H ASN A 712 5.675 -11.581 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 712 5.636 -10.040 -5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.857 -10.640 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.576 -11.182 -4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 712 7.595 -13.453 -4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 712 8.055 -14.600 -5.447 1.00 0.00 H new ATOM 1058 N GLY A 713 4.721 -11.173 -7.957 1.00 0.00 N ATOM 1059 CA GLY A 713 4.189 -11.820 -9.142 1.00 0.00 C ATOM 1060 C GLY A 713 2.813 -12.412 -8.911 1.00 0.00 C ATOM 1061 O GLY A 713 2.386 -13.309 -9.637 1.00 0.00 O ATOM 0 H GLY A 713 4.633 -10.157 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.138 -11.096 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 713 4.872 -12.608 -9.459 1.00 0.00 H new ATOM 1065 N MET A 714 2.117 -11.909 -7.896 1.00 0.00 N ATOM 1066 CA MET A 714 0.781 -12.394 -7.571 1.00 0.00 C ATOM 1067 C MET A 714 -0.202 -12.070 -8.691 1.00 0.00 C ATOM 1068 O MET A 714 -0.776 -10.981 -8.732 1.00 0.00 O ATOM 1069 CB MET A 714 0.297 -11.778 -6.257 1.00 0.00 C ATOM 1070 CG MET A 714 -1.142 -12.129 -5.915 1.00 0.00 C ATOM 1071 SD MET A 714 -1.484 -12.017 -4.149 1.00 0.00 S ATOM 1072 CE MET A 714 -1.576 -10.241 -3.934 1.00 0.00 C ATOM 0 H MET A 714 2.456 -11.166 -7.285 1.00 0.00 H new ATOM 0 HA MET A 714 0.832 -13.477 -7.459 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.946 -12.112 -5.448 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.394 -10.694 -6.316 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.813 -11.460 -6.454 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.357 -13.141 -6.259 1.00 0.00 H new ATOM 0 HE1 MET A 714 -2.328 -10.004 -3.181 1.00 0.00 H new ATOM 0 HE2 MET A 714 -0.606 -9.863 -3.610 1.00 0.00 H new ATOM 0 HE3 MET A 714 -1.850 -9.774 -4.880 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.393 -13.021 -9.599 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.307 -12.837 -10.720 1.00 0.00 C ATOM 1084 C LYS A 715 -2.705 -12.475 -10.228 1.00 0.00 C ATOM 1085 O LYS A 715 -3.476 -13.344 -9.821 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.368 -14.109 -11.569 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.416 -14.097 -12.752 1.00 0.00 C ATOM 1088 CD LYS A 715 -1.086 -13.548 -14.001 1.00 0.00 C ATOM 1089 CE LYS A 715 -1.721 -14.657 -14.826 1.00 0.00 C ATOM 1090 NZ LYS A 715 -2.884 -14.165 -15.614 1.00 0.00 N ATOM 0 H LYS A 715 0.074 -13.928 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.932 -12.016 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.139 -14.968 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.386 -14.244 -11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.458 -13.492 -12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.060 -15.109 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -1.848 -12.822 -13.717 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.351 -13.018 -14.607 1.00 0.00 H new ATOM 0 HE2 LYS A 715 -0.977 -15.079 -15.502 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -2.044 -15.462 -14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -2.828 -14.535 -16.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -3.767 -14.490 -15.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -2.872 -13.125 -15.639 1.00 0.00 H new ATOM 1104 N LEU A 716 -3.026 -11.186 -10.270 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.332 -10.708 -9.829 1.00 0.00 C ATOM 1106 C LEU A 716 -5.252 -10.463 -11.021 1.00 0.00 C ATOM 1107 O LEU A 716 -4.860 -9.827 -11.999 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.179 -9.423 -9.015 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.625 -9.587 -7.599 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.447 -8.230 -6.935 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.540 -10.474 -6.768 1.00 0.00 C ATOM 0 H LEU A 716 -2.400 -10.454 -10.605 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.780 -11.477 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.525 -8.745 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.154 -8.941 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.649 -10.067 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -3.052 -8.367 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.751 -7.628 -7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.410 -7.722 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.130 -10.580 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.530 -10.022 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -4.616 -11.456 -7.234 1.00 0.00 H new ATOM 1123 N SER A 717 -6.477 -10.969 -10.930 1.00 0.00 N ATOM 1124 CA SER A 717 -7.453 -10.806 -12.002 1.00 0.00 C ATOM 1125 C SER A 717 -6.775 -10.860 -13.367 1.00 0.00 C ATOM 1126 O SER A 717 -7.161 -10.149 -14.293 1.00 0.00 O ATOM 1127 CB SER A 717 -8.200 -9.480 -11.843 1.00 0.00 C ATOM 1128 OG SER A 717 -9.298 -9.404 -12.734 1.00 0.00 O ATOM 0 H SER A 717 -6.818 -11.495 -10.126 1.00 0.00 H new ATOM 0 HA SER A 717 -8.167 -11.627 -11.938 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.553 -9.378 -10.817 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.518 -8.650 -12.029 1.00 0.00 H new ATOM 0 HG SER A 717 -9.001 -9.631 -13.640 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.759 -11.711 -13.483 1.00 0.00 N ATOM 1135 CA GLY A 718 -5.042 -11.843 -14.738 1.00 0.00 C ATOM 1136 C GLY A 718 -4.060 -10.711 -14.967 1.00 0.00 C ATOM 1137 O GLY A 718 -3.910 -10.228 -16.089 1.00 0.00 O ATOM 0 H GLY A 718 -5.420 -12.311 -12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.506 -12.792 -14.749 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.757 -11.871 -15.560 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.390 -10.287 -13.900 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.419 -9.203 -13.989 1.00 0.00 C ATOM 1143 C ARG A 719 -1.306 -9.384 -12.961 1.00 0.00 C ATOM 1144 O ARG A 719 -1.518 -9.195 -11.764 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.109 -7.854 -13.777 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.065 -7.476 -14.897 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.039 -6.395 -14.457 1.00 0.00 C ATOM 1148 NE ARG A 719 -5.452 -5.544 -15.569 1.00 0.00 N ATOM 1149 CZ ARG A 719 -6.390 -5.884 -16.447 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -7.009 -7.051 -16.341 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -6.710 -5.055 -17.432 1.00 0.00 N ATOM 0 H ARG A 719 -3.502 -10.678 -12.964 1.00 0.00 H new ATOM 0 HA ARG A 719 -1.977 -9.225 -14.985 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.658 -7.880 -12.836 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.350 -7.078 -13.682 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -3.497 -7.126 -15.759 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.619 -8.358 -15.217 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -5.918 -6.859 -14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -4.575 -5.782 -13.684 1.00 0.00 H new ATOM 0 HE ARG A 719 -4.995 -4.638 -15.678 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -6.766 -7.690 -15.584 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -7.729 -7.310 -17.016 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -6.236 -4.156 -17.516 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -7.430 -5.317 -18.105 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.121 -9.752 -13.438 1.00 0.00 N ATOM 1166 CA GLU A 720 1.024 -9.960 -12.560 1.00 0.00 C ATOM 1167 C GLU A 720 1.407 -8.665 -11.850 1.00 0.00 C ATOM 1168 O GLU A 720 1.669 -7.647 -12.491 1.00 0.00 O ATOM 1169 CB GLU A 720 2.218 -10.489 -13.358 1.00 0.00 C ATOM 1170 CG GLU A 720 2.283 -12.006 -13.423 1.00 0.00 C ATOM 1171 CD GLU A 720 3.473 -12.505 -14.219 1.00 0.00 C ATOM 1172 OE1 GLU A 720 4.523 -11.828 -14.203 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.355 -13.571 -14.858 1.00 0.00 O ATOM 0 H GLU A 720 0.071 -9.912 -14.427 1.00 0.00 H new ATOM 0 HA GLU A 720 0.743 -10.698 -11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.171 -10.092 -14.372 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.138 -10.113 -12.911 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.333 -12.407 -12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.365 -12.386 -13.871 1.00 0.00 H new ATOM 1180 N ILE A 721 1.436 -8.712 -10.522 1.00 0.00 N ATOM 1181 CA ILE A 721 1.787 -7.544 -9.724 1.00 0.00 C ATOM 1182 C ILE A 721 3.241 -7.607 -9.267 1.00 0.00 C ATOM 1183 O ILE A 721 3.827 -8.685 -9.174 1.00 0.00 O ATOM 1184 CB ILE A 721 0.877 -7.412 -8.488 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.174 -8.532 -7.488 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.586 -7.439 -8.903 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.577 -8.292 -6.119 1.00 0.00 C ATOM 0 H ILE A 721 1.221 -9.546 -9.976 1.00 0.00 H new ATOM 0 HA ILE A 721 1.647 -6.672 -10.363 1.00 0.00 H new ATOM 0 HB ILE A 721 1.080 -6.456 -8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.790 -9.473 -7.883 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.254 -8.644 -7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.217 -7.345 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.787 -6.610 -9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.804 -8.381 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.827 -9.125 -5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 721 0.980 -7.368 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.507 -8.210 -6.204 1.00 0.00 H new ATOM 1199 N ASP A 722 3.816 -6.444 -8.983 1.00 0.00 N ATOM 1200 CA ASP A 722 5.201 -6.366 -8.532 1.00 0.00 C ATOM 1201 C ASP A 722 5.273 -5.943 -7.068 1.00 0.00 C ATOM 1202 O ASP A 722 4.976 -4.798 -6.726 1.00 0.00 O ATOM 1203 CB ASP A 722 5.987 -5.382 -9.400 1.00 0.00 C ATOM 1204 CG ASP A 722 7.484 -5.492 -9.189 1.00 0.00 C ATOM 1205 OD1 ASP A 722 7.900 -5.902 -8.084 1.00 0.00 O ATOM 1206 OD2 ASP A 722 8.241 -5.170 -10.128 1.00 0.00 O ATOM 0 H ASP A 722 3.345 -5.542 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 722 5.645 -7.357 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.757 -5.564 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 722 5.665 -4.365 -9.174 1.00 0.00 H new ATOM 1211 N VAL A 723 5.669 -6.875 -6.207 1.00 0.00 N ATOM 1212 CA VAL A 723 5.780 -6.599 -4.780 1.00 0.00 C ATOM 1213 C VAL A 723 7.239 -6.557 -4.340 1.00 0.00 C ATOM 1214 O VAL A 723 8.044 -7.397 -4.743 1.00 0.00 O ATOM 1215 CB VAL A 723 5.034 -7.656 -3.944 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.744 -7.126 -2.548 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.749 -8.076 -4.641 1.00 0.00 C ATOM 0 H VAL A 723 5.918 -7.828 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 723 5.324 -5.624 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 723 5.672 -8.534 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.217 -7.887 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.682 -6.880 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.125 -6.231 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.235 -8.823 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.104 -7.207 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.986 -8.500 -5.617 1.00 0.00 H new ATOM 1227 N ARG A 724 7.574 -5.574 -3.511 1.00 0.00 N ATOM 1228 CA ARG A 724 8.937 -5.421 -3.017 1.00 0.00 C ATOM 1229 C ARG A 724 8.958 -4.614 -1.722 1.00 0.00 C ATOM 1230 O ARG A 724 7.948 -4.034 -1.324 1.00 0.00 O ATOM 1231 CB ARG A 724 9.810 -4.738 -4.071 1.00 0.00 C ATOM 1232 CG ARG A 724 9.340 -3.340 -4.439 1.00 0.00 C ATOM 1233 CD ARG A 724 10.502 -2.454 -4.860 1.00 0.00 C ATOM 1234 NE ARG A 724 10.047 -1.219 -5.492 1.00 0.00 N ATOM 1235 CZ ARG A 724 10.857 -0.372 -6.118 1.00 0.00 C ATOM 1236 NH1 ARG A 724 12.155 -0.626 -6.196 1.00 0.00 N ATOM 1237 NH2 ARG A 724 10.367 0.732 -6.669 1.00 0.00 N ATOM 0 H ARG A 724 6.920 -4.871 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 724 9.337 -6.414 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 724 10.834 -4.682 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 724 9.828 -5.354 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 724 8.615 -3.401 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 724 8.829 -2.891 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 724 11.109 -2.212 -3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 724 11.143 -3.001 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 724 9.053 -0.994 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 724 12.535 -1.474 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 724 12.774 0.026 -6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 724 9.368 0.930 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 724 10.989 1.382 -7.149 1.00 0.00 H new ATOM 1251 N ILE A 725 10.116 -4.584 -1.069 1.00 0.00 N ATOM 1252 CA ILE A 725 10.268 -3.849 0.180 1.00 0.00 C ATOM 1253 C ILE A 725 10.398 -2.351 -0.076 1.00 0.00 C ATOM 1254 O ILE A 725 11.017 -1.929 -1.054 1.00 0.00 O ATOM 1255 CB ILE A 725 11.499 -4.331 0.970 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.345 -5.807 1.344 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.695 -3.481 2.217 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.134 -6.089 2.207 1.00 0.00 C ATOM 0 H ILE A 725 10.961 -5.060 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 725 9.371 -4.038 0.769 1.00 0.00 H new ATOM 0 HB ILE A 725 12.382 -4.225 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.277 -6.399 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.241 -6.135 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.569 -3.834 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.844 -2.440 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.813 -3.559 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.088 -7.154 2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.210 -5.524 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.231 -5.792 1.674 1.00 0.00 H new ATOM 1270 N ASP A 726 9.812 -1.552 0.809 1.00 0.00 N ATOM 1271 CA ASP A 726 9.865 -0.100 0.681 1.00 0.00 C ATOM 1272 C ASP A 726 11.024 0.475 1.488 1.00 0.00 C ATOM 1273 O ASP A 726 10.918 0.657 2.701 1.00 0.00 O ATOM 1274 CB ASP A 726 8.546 0.522 1.143 1.00 0.00 C ATOM 1275 CG ASP A 726 8.376 1.947 0.655 1.00 0.00 C ATOM 1276 OD1 ASP A 726 8.991 2.855 1.252 1.00 0.00 O ATOM 1277 OD2 ASP A 726 7.627 2.154 -0.323 1.00 0.00 O ATOM 0 H ASP A 726 9.295 -1.885 1.623 1.00 0.00 H new ATOM 0 HA ASP A 726 10.023 0.142 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.715 -0.084 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.502 0.506 2.232 1.00 0.00 H new