USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 694 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 THR OG1 : rot 180:sc= -3.15! USER MOD Set 1.2: A 714 HIS : no HD1:sc= -4.13! C(o=-7.6!,f=-8.2!) USER MOD Set 1.3: A 722 MET CE :methyl -113:sc= -0.332 (180deg=-2.43!) USER MOD Set 2.1: A 688 ASN :FLIP amide:sc= -6.92! C(o=-8.6!,f=-7!) USER MOD Set 2.2: A 692 SER OG : rot -160:sc= -0.031 USER MOD Set 3.1: A 673 SER OG : rot -100:sc= 0.664 USER MOD Set 3.2: A 674 GLN : amide:sc= -9.11! C(o=-8.4!,f=-16!) USER MOD Set 4.1: A 650 CYS SG : rot -120:sc= 0.779 USER MOD Set 4.2: A 672 THR OG1 : rot -39:sc= 1.65! USER MOD Single : A 656 GLN :FLIP amide:sc= -1.51 F(o=-4!,f=-1.5) USER MOD Single : A 657 MET CE :methyl -122:sc= -3.99! (180deg=-5.71!) USER MOD Single : A 664 SER OG : rot -6:sc= 0.89 USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 162:sc= -0.922 (180deg=-1.52) USER MOD Single : A 668 SER OG : rot 170:sc= 0.235 USER MOD Single : A 676 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0187) USER MOD Single : A 679 SER OG : rot 180:sc= 0 USER MOD Single : A 682 SER OG : rot 180:sc= 0 USER MOD Single : A 686 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0797) USER MOD Single : A 689 ASN : amide:sc= -1.21! C(o=-1.2!,f=-9.5!) USER MOD Single : A 696 SER OG : rot 180:sc= -1.75! USER MOD Single : A 702 GLN : amide:sc= -9.13! C(o=-9.1!,f=-14!) USER MOD Single : A 715 SER OG : rot 180:sc= 0 USER MOD Single : A 717 ASN : amide:sc= -2.54! C(o=-2.5!,f=-2.9!) USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 726 SER OG : rot 180:sc= 0 USER MOD Single : A 727 HIS : no HE2:sc= -27.4! C(o=-27!,f=-34!) USER MOD Single : A 733 GLN :FLIP amide:sc= -2.88! C(o=-9!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 649 -19.552 3.750 -6.529 1.00 0.00 N ATOM 33 CA ASP A 649 -18.359 4.631 -6.500 1.00 0.00 C ATOM 34 C ASP A 649 -17.120 3.821 -6.149 1.00 0.00 C ATOM 35 O ASP A 649 -17.150 2.966 -5.293 1.00 0.00 O ATOM 36 CB ASP A 649 -18.620 5.653 -5.393 1.00 0.00 C ATOM 37 CG ASP A 649 -19.779 6.573 -5.775 1.00 0.00 C ATOM 38 OD1 ASP A 649 -20.099 6.639 -6.949 1.00 0.00 O ATOM 39 OD2 ASP A 649 -20.329 7.198 -4.881 1.00 0.00 O ATOM 0 HA ASP A 649 -18.193 5.105 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -18.850 5.137 -4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -17.721 6.244 -5.217 1.00 0.00 H new ATOM 44 N CYS A 650 -16.028 4.095 -6.788 1.00 0.00 N ATOM 45 CA CYS A 650 -14.782 3.359 -6.462 1.00 0.00 C ATOM 46 C CYS A 650 -13.629 4.362 -6.368 1.00 0.00 C ATOM 47 O CYS A 650 -13.690 5.440 -6.924 1.00 0.00 O ATOM 48 CB CYS A 650 -14.569 2.373 -7.608 1.00 0.00 C ATOM 49 SG CYS A 650 -16.007 1.285 -7.759 1.00 0.00 S ATOM 0 H CYS A 650 -15.941 4.797 -7.523 1.00 0.00 H new ATOM 0 HA CYS A 650 -14.837 2.830 -5.511 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -14.412 2.915 -8.541 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -13.671 1.781 -7.428 1.00 0.00 H new ATOM 0 HG CYS A 650 -15.637 0.050 -7.590 1.00 0.00 H new ATOM 55 N ARG A 651 -12.586 4.027 -5.664 1.00 0.00 N ATOM 56 CA ARG A 651 -11.439 4.978 -5.534 1.00 0.00 C ATOM 57 C ARG A 651 -10.153 4.316 -6.061 1.00 0.00 C ATOM 58 O ARG A 651 -10.094 3.113 -6.209 1.00 0.00 O ATOM 59 CB ARG A 651 -11.344 5.258 -4.032 1.00 0.00 C ATOM 60 CG ARG A 651 -12.636 5.917 -3.552 1.00 0.00 C ATOM 61 CD ARG A 651 -12.610 6.022 -2.029 1.00 0.00 C ATOM 62 NE ARG A 651 -14.022 5.814 -1.616 1.00 0.00 N ATOM 63 CZ ARG A 651 -14.298 4.972 -0.659 1.00 0.00 C ATOM 64 NH1 ARG A 651 -13.727 3.798 -0.637 1.00 0.00 N ATOM 65 NH2 ARG A 651 -15.135 5.305 0.277 1.00 0.00 N ATOM 0 H ARG A 651 -12.474 3.140 -5.173 1.00 0.00 H new ATOM 0 HA ARG A 651 -11.575 5.895 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 651 -11.174 4.329 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 651 -10.494 5.908 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 651 -12.740 6.907 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 651 -13.498 5.332 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 651 -11.954 5.270 -1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 651 -12.241 6.995 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 651 -14.772 6.327 -2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 651 -13.065 3.539 -1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 651 -13.943 3.140 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 651 -15.576 6.225 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 651 -15.351 4.647 1.026 1.00 0.00 H new ATOM 79 N ILE A 652 -9.119 5.077 -6.354 1.00 0.00 N ATOM 80 CA ILE A 652 -7.861 4.436 -6.871 1.00 0.00 C ATOM 81 C ILE A 652 -6.712 4.635 -5.874 1.00 0.00 C ATOM 82 O ILE A 652 -6.536 5.703 -5.325 1.00 0.00 O ATOM 83 CB ILE A 652 -7.556 5.137 -8.197 1.00 0.00 C ATOM 84 CG1 ILE A 652 -7.195 6.602 -7.960 1.00 0.00 C ATOM 85 CG2 ILE A 652 -8.789 5.081 -9.095 1.00 0.00 C ATOM 86 CD1 ILE A 652 -6.492 7.133 -9.207 1.00 0.00 C ATOM 0 H ILE A 652 -9.090 6.092 -6.260 1.00 0.00 H new ATOM 0 HA ILE A 652 -7.979 3.361 -7.006 1.00 0.00 H new ATOM 0 HB ILE A 652 -6.715 4.630 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 652 -8.092 7.185 -7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 652 -6.546 6.697 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 652 -8.574 5.580 -10.040 1.00 0.00 H new ATOM 0 HG22 ILE A 652 -9.053 4.041 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 652 -9.622 5.582 -8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 652 -6.226 8.179 -9.057 1.00 0.00 H new ATOM 0 HD12 ILE A 652 -5.589 6.552 -9.391 1.00 0.00 H new ATOM 0 HD13 ILE A 652 -7.159 7.048 -10.065 1.00 0.00 H new ATOM 98 N ILE A 653 -5.935 3.614 -5.613 1.00 0.00 N ATOM 99 CA ILE A 653 -4.823 3.759 -4.612 1.00 0.00 C ATOM 100 C ILE A 653 -3.456 3.563 -5.260 1.00 0.00 C ATOM 101 O ILE A 653 -3.289 2.825 -6.211 1.00 0.00 O ATOM 102 CB ILE A 653 -5.105 2.702 -3.513 1.00 0.00 C ATOM 103 CG1 ILE A 653 -3.783 2.143 -2.905 1.00 0.00 C ATOM 104 CG2 ILE A 653 -5.956 1.565 -4.098 1.00 0.00 C ATOM 105 CD1 ILE A 653 -3.967 0.692 -2.445 1.00 0.00 C ATOM 0 H ILE A 653 -6.017 2.693 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 653 -4.795 4.763 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 653 -5.655 3.184 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 653 -2.985 2.196 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 653 -3.476 2.761 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 653 -6.153 0.823 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 653 -6.900 1.968 -4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 653 -5.419 1.096 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 653 -3.032 0.322 -2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 653 -4.749 0.647 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 653 -4.251 0.074 -3.296 1.00 0.00 H new ATOM 117 N ARG A 654 -2.478 4.231 -4.729 1.00 0.00 N ATOM 118 CA ARG A 654 -1.110 4.118 -5.272 1.00 0.00 C ATOM 119 C ARG A 654 -0.075 4.148 -4.154 1.00 0.00 C ATOM 120 O ARG A 654 -0.135 4.972 -3.265 1.00 0.00 O ATOM 121 CB ARG A 654 -0.963 5.342 -6.139 1.00 0.00 C ATOM 122 CG ARG A 654 0.471 5.430 -6.645 1.00 0.00 C ATOM 123 CD ARG A 654 0.586 6.549 -7.679 1.00 0.00 C ATOM 124 NE ARG A 654 -0.616 6.405 -8.552 1.00 0.00 N ATOM 125 CZ ARG A 654 -0.714 5.409 -9.393 1.00 0.00 C ATOM 126 NH1 ARG A 654 0.196 5.222 -10.312 1.00 0.00 N ATOM 127 NH2 ARG A 654 -1.739 4.609 -9.319 1.00 0.00 N ATOM 0 H ARG A 654 -2.573 4.859 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 654 -0.956 3.184 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 654 -1.655 5.292 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 654 -1.216 6.237 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 654 1.149 5.620 -5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 654 0.769 4.480 -7.089 1.00 0.00 H new ATOM 0 HD2 ARG A 654 0.608 7.527 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 654 1.505 6.457 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 654 -1.369 7.091 -8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 654 0.992 5.856 -10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 654 0.110 4.442 -10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 654 -2.456 4.763 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 654 -1.825 3.829 -9.970 1.00 0.00 H new ATOM 141 N VAL A 655 0.888 3.279 -4.204 1.00 0.00 N ATOM 142 CA VAL A 655 1.933 3.283 -3.151 1.00 0.00 C ATOM 143 C VAL A 655 3.291 2.999 -3.782 1.00 0.00 C ATOM 144 O VAL A 655 3.381 2.398 -4.834 1.00 0.00 O ATOM 145 CB VAL A 655 1.555 2.160 -2.192 1.00 0.00 C ATOM 146 CG1 VAL A 655 2.475 2.221 -0.985 1.00 0.00 C ATOM 147 CG2 VAL A 655 0.105 2.328 -1.746 1.00 0.00 C ATOM 0 H VAL A 655 0.997 2.567 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 655 1.997 4.243 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 655 1.660 1.196 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 655 2.216 1.423 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 655 3.509 2.099 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 655 2.361 3.185 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 655 -0.160 1.523 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 655 -0.012 3.287 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 655 -0.550 2.294 -2.617 1.00 0.00 H new ATOM 157 N GLN A 656 4.351 3.410 -3.148 1.00 0.00 N ATOM 158 CA GLN A 656 5.698 3.136 -3.718 1.00 0.00 C ATOM 159 C GLN A 656 6.587 2.513 -2.646 1.00 0.00 C ATOM 160 O GLN A 656 6.703 3.035 -1.560 1.00 0.00 O ATOM 161 CB GLN A 656 6.261 4.498 -4.130 1.00 0.00 C ATOM 162 CG GLN A 656 5.370 5.142 -5.193 1.00 0.00 C ATOM 163 CD GLN A 656 4.678 6.379 -4.604 1.00 0.00 C ATOM 164 OE1 GLN A 656 4.384 6.413 -3.331 1.00 0.00 O flip ATOM 165 NE2 GLN A 656 4.394 7.326 -5.314 1.00 0.00 N flip ATOM 0 H GLN A 656 4.344 3.921 -2.265 1.00 0.00 H new ATOM 0 HA GLN A 656 5.651 2.448 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 656 6.328 5.150 -3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 656 7.273 4.379 -4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 656 5.967 5.425 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 656 4.625 4.426 -5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 656 4.621 7.304 -6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 656 3.929 8.141 -4.915 1.00 0.00 H new ATOM 174 N MET A 657 7.227 1.419 -2.934 1.00 0.00 N ATOM 175 CA MET A 657 8.114 0.810 -1.899 1.00 0.00 C ATOM 176 C MET A 657 9.534 0.711 -2.447 1.00 0.00 C ATOM 177 O MET A 657 9.777 0.083 -3.452 1.00 0.00 O ATOM 178 CB MET A 657 7.518 -0.571 -1.628 1.00 0.00 C ATOM 179 CG MET A 657 8.189 -1.196 -0.407 1.00 0.00 C ATOM 180 SD MET A 657 8.074 -2.997 -0.524 1.00 0.00 S ATOM 181 CE MET A 657 6.387 -3.166 0.101 1.00 0.00 C ATOM 0 H MET A 657 7.180 0.923 -3.824 1.00 0.00 H new ATOM 0 HA MET A 657 8.170 1.397 -0.982 1.00 0.00 H new ATOM 0 HB2 MET A 657 6.444 -0.487 -1.460 1.00 0.00 H new ATOM 0 HB3 MET A 657 7.655 -1.213 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 657 9.233 -0.889 -0.354 1.00 0.00 H new ATOM 0 HG3 MET A 657 7.707 -0.847 0.506 1.00 0.00 H new ATOM 0 HE1 MET A 657 6.387 -3.813 0.979 1.00 0.00 H new ATOM 0 HE2 MET A 657 6.000 -2.184 0.374 1.00 0.00 H new ATOM 0 HE3 MET A 657 5.755 -3.603 -0.672 1.00 0.00 H new ATOM 191 N GLU A 658 10.459 1.357 -1.794 1.00 0.00 N ATOM 192 CA GLU A 658 11.877 1.367 -2.267 1.00 0.00 C ATOM 193 C GLU A 658 12.762 0.416 -1.461 1.00 0.00 C ATOM 194 O GLU A 658 13.877 0.749 -1.113 1.00 0.00 O ATOM 195 CB GLU A 658 12.318 2.810 -2.031 1.00 0.00 C ATOM 196 CG GLU A 658 11.623 3.743 -3.029 1.00 0.00 C ATOM 197 CD GLU A 658 11.926 5.194 -2.654 1.00 0.00 C ATOM 198 OE1 GLU A 658 12.293 5.427 -1.514 1.00 0.00 O ATOM 199 OE2 GLU A 658 11.792 6.047 -3.514 1.00 0.00 O ATOM 0 H GLU A 658 10.292 1.888 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 658 11.961 1.039 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 658 12.076 3.110 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 658 13.400 2.890 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 658 11.970 3.536 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 658 10.547 3.569 -3.019 1.00 0.00 H new ATOM 206 N LEU A 659 12.268 -0.734 -1.112 1.00 0.00 N ATOM 207 CA LEU A 659 13.095 -1.651 -0.269 1.00 0.00 C ATOM 208 C LEU A 659 12.739 -3.128 -0.518 1.00 0.00 C ATOM 209 O LEU A 659 11.635 -3.450 -0.908 1.00 0.00 O ATOM 210 CB LEU A 659 12.701 -1.239 1.146 1.00 0.00 C ATOM 211 CG LEU A 659 13.898 -1.394 2.104 1.00 0.00 C ATOM 212 CD1 LEU A 659 14.331 -2.858 2.210 1.00 0.00 C ATOM 213 CD2 LEU A 659 15.066 -0.555 1.586 1.00 0.00 C ATOM 0 H LEU A 659 11.343 -1.080 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 659 14.162 -1.573 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 659 12.357 -0.205 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 659 11.869 -1.852 1.492 1.00 0.00 H new ATOM 0 HG LEU A 659 13.598 -1.053 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 659 15.177 -2.939 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 659 13.502 -3.456 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 659 14.623 -3.223 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 659 15.916 -0.660 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 659 15.347 -0.898 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 659 14.769 0.493 1.538 1.00 0.00 H new ATOM 225 N GLY A 660 13.661 -4.028 -0.277 1.00 0.00 N ATOM 226 CA GLY A 660 13.378 -5.478 -0.480 1.00 0.00 C ATOM 227 C GLY A 660 14.596 -6.140 -1.110 1.00 0.00 C ATOM 228 O GLY A 660 15.484 -5.470 -1.595 1.00 0.00 O ATOM 0 H GLY A 660 14.602 -3.816 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 660 13.143 -5.952 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 660 12.507 -5.605 -1.123 1.00 0.00 H new ATOM 232 N GLU A 661 14.651 -7.447 -1.132 1.00 0.00 N ATOM 233 CA GLU A 661 15.835 -8.095 -1.760 1.00 0.00 C ATOM 234 C GLU A 661 15.960 -7.542 -3.174 1.00 0.00 C ATOM 235 O GLU A 661 17.038 -7.414 -3.718 1.00 0.00 O ATOM 236 CB GLU A 661 15.557 -9.606 -1.782 1.00 0.00 C ATOM 237 CG GLU A 661 14.353 -9.914 -2.679 1.00 0.00 C ATOM 238 CD GLU A 661 14.740 -10.936 -3.754 1.00 0.00 C ATOM 239 OE1 GLU A 661 15.896 -11.319 -3.794 1.00 0.00 O ATOM 240 OE2 GLU A 661 13.869 -11.313 -4.523 1.00 0.00 O ATOM 0 H GLU A 661 13.945 -8.078 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 661 16.762 -7.903 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 661 16.436 -10.139 -2.146 1.00 0.00 H new ATOM 0 HB3 GLU A 661 15.365 -9.962 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 661 13.532 -10.302 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 661 13.997 -8.997 -3.150 1.00 0.00 H new ATOM 247 N ASP A 662 14.850 -7.177 -3.752 1.00 0.00 N ATOM 248 CA ASP A 662 14.869 -6.586 -5.109 1.00 0.00 C ATOM 249 C ASP A 662 14.307 -5.166 -5.025 1.00 0.00 C ATOM 250 O ASP A 662 14.631 -4.304 -5.818 1.00 0.00 O ATOM 251 CB ASP A 662 13.987 -7.498 -5.968 1.00 0.00 C ATOM 252 CG ASP A 662 14.707 -8.829 -6.207 1.00 0.00 C ATOM 253 OD1 ASP A 662 15.888 -8.906 -5.908 1.00 0.00 O ATOM 254 OD2 ASP A 662 14.061 -9.752 -6.675 1.00 0.00 O ATOM 0 H ASP A 662 13.924 -7.266 -3.334 1.00 0.00 H new ATOM 0 HA ASP A 662 15.868 -6.517 -5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 662 13.033 -7.673 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 662 13.766 -7.016 -6.920 1.00 0.00 H new ATOM 259 N GLY A 663 13.487 -4.919 -4.035 1.00 0.00 N ATOM 260 CA GLY A 663 12.909 -3.560 -3.828 1.00 0.00 C ATOM 261 C GLY A 663 12.189 -3.056 -5.082 1.00 0.00 C ATOM 262 O GLY A 663 12.491 -3.443 -6.194 1.00 0.00 O ATOM 0 H GLY A 663 13.190 -5.615 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 663 12.210 -3.585 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 663 13.703 -2.863 -3.559 1.00 0.00 H new ATOM 266 N SER A 664 11.257 -2.161 -4.894 1.00 0.00 N ATOM 267 CA SER A 664 10.513 -1.576 -6.045 1.00 0.00 C ATOM 268 C SER A 664 10.485 -0.063 -5.904 1.00 0.00 C ATOM 269 O SER A 664 11.208 0.513 -5.120 1.00 0.00 O ATOM 270 CB SER A 664 9.091 -2.130 -5.976 1.00 0.00 C ATOM 271 OG SER A 664 8.481 -1.731 -4.756 1.00 0.00 O ATOM 0 H SER A 664 10.977 -1.806 -3.980 1.00 0.00 H new ATOM 0 HA SER A 664 10.983 -1.827 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 664 8.507 -1.767 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 664 9.110 -3.218 -6.046 1.00 0.00 H new ATOM 0 HG SER A 664 9.142 -1.278 -4.192 1.00 0.00 H new ATOM 277 N VAL A 665 9.682 0.592 -6.674 1.00 0.00 N ATOM 278 CA VAL A 665 9.633 2.068 -6.577 1.00 0.00 C ATOM 279 C VAL A 665 8.208 2.579 -6.807 1.00 0.00 C ATOM 280 O VAL A 665 7.964 3.768 -6.786 1.00 0.00 O ATOM 281 CB VAL A 665 10.561 2.540 -7.692 1.00 0.00 C ATOM 282 CG1 VAL A 665 11.980 2.028 -7.432 1.00 0.00 C ATOM 283 CG2 VAL A 665 10.065 1.984 -9.027 1.00 0.00 C ATOM 0 H VAL A 665 9.058 0.175 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 665 9.933 2.435 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 665 10.567 3.630 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 665 12.641 2.367 -8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 665 12.337 2.414 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 665 11.974 0.938 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 665 10.725 2.318 -9.828 1.00 0.00 H new ATOM 0 HG22 VAL A 665 10.063 0.895 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 665 9.053 2.342 -9.217 1.00 0.00 H new ATOM 293 N TYR A 666 7.261 1.709 -7.053 1.00 0.00 N ATOM 294 CA TYR A 666 5.879 2.208 -7.307 1.00 0.00 C ATOM 295 C TYR A 666 4.830 1.094 -7.128 1.00 0.00 C ATOM 296 O TYR A 666 5.147 -0.079 -7.056 1.00 0.00 O ATOM 297 CB TYR A 666 5.918 2.647 -8.769 1.00 0.00 C ATOM 298 CG TYR A 666 5.881 1.411 -9.630 1.00 0.00 C ATOM 299 CD1 TYR A 666 7.026 0.620 -9.780 1.00 0.00 C ATOM 300 CD2 TYR A 666 4.683 1.041 -10.247 1.00 0.00 C ATOM 301 CE1 TYR A 666 6.968 -0.539 -10.550 1.00 0.00 C ATOM 302 CE2 TYR A 666 4.625 -0.116 -11.022 1.00 0.00 C ATOM 303 CZ TYR A 666 5.767 -0.911 -11.174 1.00 0.00 C ATOM 304 OH TYR A 666 5.708 -2.062 -11.935 1.00 0.00 O ATOM 0 H TYR A 666 7.381 0.697 -7.088 1.00 0.00 H new ATOM 0 HA TYR A 666 5.599 3.002 -6.615 1.00 0.00 H new ATOM 0 HB2 TYR A 666 5.070 3.294 -8.995 1.00 0.00 H new ATOM 0 HB3 TYR A 666 6.821 3.224 -8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 666 7.950 0.907 -9.301 1.00 0.00 H new ATOM 0 HD2 TYR A 666 3.801 1.652 -10.123 1.00 0.00 H new ATOM 0 HE1 TYR A 666 7.849 -1.153 -10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 666 3.701 -0.399 -11.504 1.00 0.00 H new ATOM 0 HH TYR A 666 4.802 -2.171 -12.293 1.00 0.00 H new ATOM 314 N LYS A 667 3.580 1.474 -7.094 1.00 0.00 N ATOM 315 CA LYS A 667 2.469 0.481 -6.967 1.00 0.00 C ATOM 316 C LYS A 667 1.142 1.170 -7.339 1.00 0.00 C ATOM 317 O LYS A 667 0.832 2.231 -6.841 1.00 0.00 O ATOM 318 CB LYS A 667 2.479 0.056 -5.498 1.00 0.00 C ATOM 319 CG LYS A 667 1.749 -1.278 -5.344 1.00 0.00 C ATOM 320 CD LYS A 667 0.259 -1.013 -5.164 1.00 0.00 C ATOM 321 CE LYS A 667 -0.125 -1.233 -3.702 1.00 0.00 C ATOM 322 NZ LYS A 667 -1.548 -0.810 -3.627 1.00 0.00 N ATOM 0 H LYS A 667 3.276 2.446 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 667 2.585 -0.381 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 667 3.505 -0.037 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 667 1.997 0.818 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 667 1.917 -1.902 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 667 2.140 -1.824 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 667 0.022 0.008 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -0.319 -1.677 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -0.005 -2.277 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 667 0.501 -0.642 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -1.981 -1.200 -2.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -1.601 0.228 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -2.059 -1.162 -4.462 1.00 0.00 H new ATOM 336 N SER A 668 0.366 0.590 -8.215 1.00 0.00 N ATOM 337 CA SER A 668 -0.921 1.230 -8.617 1.00 0.00 C ATOM 338 C SER A 668 -2.050 0.202 -8.701 1.00 0.00 C ATOM 339 O SER A 668 -1.981 -0.744 -9.459 1.00 0.00 O ATOM 340 CB SER A 668 -0.646 1.791 -10.010 1.00 0.00 C ATOM 341 OG SER A 668 -1.791 2.493 -10.470 1.00 0.00 O ATOM 0 H SER A 668 0.568 -0.300 -8.670 1.00 0.00 H new ATOM 0 HA SER A 668 -1.235 1.986 -7.897 1.00 0.00 H new ATOM 0 HB2 SER A 668 0.216 2.458 -9.982 1.00 0.00 H new ATOM 0 HB3 SER A 668 -0.401 0.982 -10.698 1.00 0.00 H new ATOM 0 HG SER A 668 -1.566 2.987 -11.286 1.00 0.00 H new ATOM 347 N ILE A 669 -3.103 0.396 -7.961 1.00 0.00 N ATOM 348 CA ILE A 669 -4.241 -0.556 -8.039 1.00 0.00 C ATOM 349 C ILE A 669 -5.553 0.230 -7.947 1.00 0.00 C ATOM 350 O ILE A 669 -5.600 1.293 -7.369 1.00 0.00 O ATOM 351 CB ILE A 669 -4.076 -1.493 -6.846 1.00 0.00 C ATOM 352 CG1 ILE A 669 -5.020 -2.683 -7.032 1.00 0.00 C ATOM 353 CG2 ILE A 669 -4.426 -0.757 -5.556 1.00 0.00 C ATOM 354 CD1 ILE A 669 -4.780 -3.713 -5.931 1.00 0.00 C ATOM 0 H ILE A 669 -3.224 1.170 -7.308 1.00 0.00 H new ATOM 0 HA ILE A 669 -4.260 -1.119 -8.972 1.00 0.00 H new ATOM 0 HB ILE A 669 -3.044 -1.838 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -6.056 -2.344 -7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -4.858 -3.138 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -4.306 -1.432 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -3.763 0.100 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -5.459 -0.413 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -5.455 -4.557 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -3.748 -4.062 -5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -4.965 -3.256 -4.959 1.00 0.00 H new ATOM 366 N LEU A 670 -6.613 -0.269 -8.517 1.00 0.00 N ATOM 367 CA LEU A 670 -7.907 0.475 -8.456 1.00 0.00 C ATOM 368 C LEU A 670 -8.738 -0.003 -7.272 1.00 0.00 C ATOM 369 O LEU A 670 -8.993 -1.181 -7.117 1.00 0.00 O ATOM 370 CB LEU A 670 -8.611 0.126 -9.770 1.00 0.00 C ATOM 371 CG LEU A 670 -9.942 0.890 -9.928 1.00 0.00 C ATOM 372 CD1 LEU A 670 -9.978 2.167 -9.073 1.00 0.00 C ATOM 373 CD2 LEU A 670 -10.110 1.267 -11.401 1.00 0.00 C ATOM 0 H LEU A 670 -6.643 -1.155 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 670 -7.763 1.548 -8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 670 -7.955 0.362 -10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 670 -8.801 -0.947 -9.807 1.00 0.00 H new ATOM 0 HG LEU A 670 -10.752 0.244 -9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 670 -10.933 2.673 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 670 -9.859 1.904 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 670 -9.167 2.830 -9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 670 -11.047 1.809 -11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 670 -9.278 1.899 -11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 670 -10.125 0.362 -12.009 1.00 0.00 H new ATOM 385 N VAL A 671 -9.183 0.893 -6.441 1.00 0.00 N ATOM 386 CA VAL A 671 -10.009 0.466 -5.286 1.00 0.00 C ATOM 387 C VAL A 671 -11.476 0.778 -5.555 1.00 0.00 C ATOM 388 O VAL A 671 -11.833 1.440 -6.508 1.00 0.00 O ATOM 389 CB VAL A 671 -9.482 1.251 -4.065 1.00 0.00 C ATOM 390 CG1 VAL A 671 -10.624 1.940 -3.299 1.00 0.00 C ATOM 391 CG2 VAL A 671 -8.781 0.267 -3.133 1.00 0.00 C ATOM 0 H VAL A 671 -9.011 1.896 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 671 -9.940 -0.607 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 671 -8.797 2.024 -4.414 1.00 0.00 H new ATOM 0 HG11 VAL A 671 -10.215 2.482 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 671 -11.137 2.638 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 671 -11.330 1.189 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 671 -8.400 0.800 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 671 -9.489 -0.496 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 671 -7.953 -0.206 -3.660 1.00 0.00 H new ATOM 401 N THR A 672 -12.309 0.324 -4.681 1.00 0.00 N ATOM 402 CA THR A 672 -13.750 0.583 -4.801 1.00 0.00 C ATOM 403 C THR A 672 -14.178 1.250 -3.496 1.00 0.00 C ATOM 404 O THR A 672 -13.369 1.469 -2.616 1.00 0.00 O ATOM 405 CB THR A 672 -14.374 -0.802 -5.025 1.00 0.00 C ATOM 406 OG1 THR A 672 -15.253 -0.748 -6.142 1.00 0.00 O ATOM 407 CG2 THR A 672 -15.154 -1.263 -3.792 1.00 0.00 C ATOM 0 H THR A 672 -12.042 -0.230 -3.867 1.00 0.00 H new ATOM 0 HA THR A 672 -14.053 1.243 -5.614 1.00 0.00 H new ATOM 0 HB THR A 672 -13.570 -1.514 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 672 -15.747 0.099 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 672 -15.584 -2.247 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 672 -14.481 -1.319 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 672 -15.953 -0.552 -3.580 1.00 0.00 H new ATOM 415 N SER A 673 -15.404 1.607 -3.362 1.00 0.00 N ATOM 416 CA SER A 673 -15.824 2.299 -2.120 1.00 0.00 C ATOM 417 C SER A 673 -15.582 1.448 -0.850 1.00 0.00 C ATOM 418 O SER A 673 -15.199 1.968 0.178 1.00 0.00 O ATOM 419 CB SER A 673 -17.305 2.556 -2.335 1.00 0.00 C ATOM 420 OG SER A 673 -17.820 3.315 -1.249 1.00 0.00 O ATOM 0 H SER A 673 -16.140 1.454 -4.052 1.00 0.00 H new ATOM 0 HA SER A 673 -15.249 3.209 -1.949 1.00 0.00 H new ATOM 0 HB2 SER A 673 -17.459 3.092 -3.272 1.00 0.00 H new ATOM 0 HB3 SER A 673 -17.840 1.610 -2.417 1.00 0.00 H new ATOM 0 HG SER A 673 -18.280 2.719 -0.622 1.00 0.00 H new ATOM 426 N GLN A 674 -15.834 0.166 -0.890 1.00 0.00 N ATOM 427 CA GLN A 674 -15.649 -0.673 0.341 1.00 0.00 C ATOM 428 C GLN A 674 -14.457 -1.636 0.225 1.00 0.00 C ATOM 429 O GLN A 674 -14.347 -2.585 0.977 1.00 0.00 O ATOM 430 CB GLN A 674 -16.933 -1.482 0.421 1.00 0.00 C ATOM 431 CG GLN A 674 -18.126 -0.551 0.622 1.00 0.00 C ATOM 432 CD GLN A 674 -18.488 0.147 -0.690 1.00 0.00 C ATOM 433 OE1 GLN A 674 -18.837 1.311 -0.686 1.00 0.00 O ATOM 434 NE2 GLN A 674 -18.440 -0.517 -1.817 1.00 0.00 N ATOM 0 H GLN A 674 -16.158 -0.338 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 674 -15.450 -0.051 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 674 -17.064 -2.062 -0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 674 -16.874 -2.193 1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 674 -18.981 -1.120 0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 674 -17.890 0.193 1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 674 -18.147 -1.494 -1.821 1.00 0.00 H new ATOM 0 HE22 GLN A 674 -18.695 -0.057 -2.691 1.00 0.00 H new ATOM 443 N ASP A 675 -13.601 -1.441 -0.727 1.00 0.00 N ATOM 444 CA ASP A 675 -12.462 -2.401 -0.909 1.00 0.00 C ATOM 445 C ASP A 675 -11.188 -1.980 -0.158 1.00 0.00 C ATOM 446 O ASP A 675 -10.603 -0.948 -0.426 1.00 0.00 O ATOM 447 CB ASP A 675 -12.195 -2.397 -2.408 1.00 0.00 C ATOM 448 CG ASP A 675 -11.222 -3.521 -2.747 1.00 0.00 C ATOM 449 OD1 ASP A 675 -10.700 -4.121 -1.824 1.00 0.00 O ATOM 450 OD2 ASP A 675 -11.023 -3.769 -3.925 1.00 0.00 O ATOM 0 H ASP A 675 -13.630 -0.666 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 675 -12.724 -3.380 -0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 675 -13.128 -2.530 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 675 -11.780 -1.436 -2.713 1.00 0.00 H new ATOM 455 N LYS A 676 -10.733 -2.802 0.754 1.00 0.00 N ATOM 456 CA LYS A 676 -9.484 -2.491 1.500 1.00 0.00 C ATOM 457 C LYS A 676 -8.288 -3.093 0.747 1.00 0.00 C ATOM 458 O LYS A 676 -8.057 -4.286 0.789 1.00 0.00 O ATOM 459 CB LYS A 676 -9.684 -3.190 2.842 1.00 0.00 C ATOM 460 CG LYS A 676 -10.960 -2.653 3.496 1.00 0.00 C ATOM 461 CD LYS A 676 -11.679 -3.790 4.228 1.00 0.00 C ATOM 462 CE LYS A 676 -13.178 -3.490 4.288 1.00 0.00 C ATOM 463 NZ LYS A 676 -13.740 -4.497 5.233 1.00 0.00 N ATOM 0 H LYS A 676 -11.180 -3.682 1.013 1.00 0.00 H new ATOM 0 HA LYS A 676 -9.291 -1.424 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -9.759 -4.268 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -8.826 -3.014 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -10.714 -1.855 4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -11.615 -2.222 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -11.507 -4.735 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -11.278 -3.899 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -13.363 -2.475 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -13.637 -3.575 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -14.745 -4.290 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -13.647 -5.448 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -13.221 -4.456 6.133 1.00 0.00 H new ATOM 477 N ALA A 677 -7.531 -2.286 0.046 1.00 0.00 N ATOM 478 CA ALA A 677 -6.366 -2.833 -0.720 1.00 0.00 C ATOM 479 C ALA A 677 -4.976 -2.517 -0.105 1.00 0.00 C ATOM 480 O ALA A 677 -3.983 -2.799 -0.747 1.00 0.00 O ATOM 481 CB ALA A 677 -6.497 -2.178 -2.094 1.00 0.00 C ATOM 0 H ALA A 677 -7.667 -1.278 -0.030 1.00 0.00 H new ATOM 0 HA ALA A 677 -6.401 -3.922 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 677 -5.684 -2.516 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 677 -7.452 -2.456 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 677 -6.449 -1.094 -1.987 1.00 0.00 H new ATOM 487 N PRO A 678 -4.895 -1.967 1.096 1.00 0.00 N ATOM 488 CA PRO A 678 -3.559 -1.690 1.676 1.00 0.00 C ATOM 489 C PRO A 678 -2.789 -3.010 1.845 1.00 0.00 C ATOM 490 O PRO A 678 -1.572 -3.041 1.869 1.00 0.00 O ATOM 491 CB PRO A 678 -3.895 -1.067 3.037 1.00 0.00 C ATOM 492 CG PRO A 678 -5.419 -1.052 3.207 1.00 0.00 C ATOM 493 CD PRO A 678 -6.064 -1.603 1.931 1.00 0.00 C ATOM 0 HA PRO A 678 -2.932 -1.043 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 678 -3.431 -1.640 3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 678 -3.498 -0.054 3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 678 -5.709 -1.656 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 678 -5.767 -0.037 3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 678 -6.696 -2.467 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 678 -6.692 -0.858 1.443 1.00 0.00 H new ATOM 501 N SER A 679 -3.505 -4.100 1.977 1.00 0.00 N ATOM 502 CA SER A 679 -2.845 -5.427 2.165 1.00 0.00 C ATOM 503 C SER A 679 -2.535 -6.095 0.824 1.00 0.00 C ATOM 504 O SER A 679 -1.895 -7.129 0.773 1.00 0.00 O ATOM 505 CB SER A 679 -3.869 -6.256 2.933 1.00 0.00 C ATOM 506 OG SER A 679 -3.981 -5.755 4.257 1.00 0.00 O ATOM 0 H SER A 679 -4.525 -4.126 1.962 1.00 0.00 H new ATOM 0 HA SER A 679 -1.893 -5.331 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 679 -4.837 -6.214 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 679 -3.566 -7.303 2.952 1.00 0.00 H new ATOM 0 HG SER A 679 -4.640 -6.285 4.753 1.00 0.00 H new ATOM 512 N VAL A 680 -2.965 -5.524 -0.262 1.00 0.00 N ATOM 513 CA VAL A 680 -2.677 -6.155 -1.576 1.00 0.00 C ATOM 514 C VAL A 680 -1.168 -6.328 -1.721 1.00 0.00 C ATOM 515 O VAL A 680 -0.690 -7.208 -2.410 1.00 0.00 O ATOM 516 CB VAL A 680 -3.226 -5.184 -2.616 1.00 0.00 C ATOM 517 CG1 VAL A 680 -2.446 -3.871 -2.561 1.00 0.00 C ATOM 518 CG2 VAL A 680 -3.084 -5.808 -4.003 1.00 0.00 C ATOM 0 H VAL A 680 -3.499 -4.656 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 680 -3.129 -7.140 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 680 -4.277 -4.981 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 680 -2.842 -3.181 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 680 -2.545 -3.430 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 680 -1.394 -4.064 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 680 -3.474 -5.120 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 680 -2.032 -6.008 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 680 -3.644 -6.742 -4.041 1.00 0.00 H new ATOM 528 N ILE A 681 -0.418 -5.505 -1.053 1.00 0.00 N ATOM 529 CA ILE A 681 1.067 -5.631 -1.135 1.00 0.00 C ATOM 530 C ILE A 681 1.504 -7.024 -0.657 1.00 0.00 C ATOM 531 O ILE A 681 2.352 -7.653 -1.256 1.00 0.00 O ATOM 532 CB ILE A 681 1.611 -4.536 -0.208 1.00 0.00 C ATOM 533 CG1 ILE A 681 1.289 -3.159 -0.802 1.00 0.00 C ATOM 534 CG2 ILE A 681 3.124 -4.691 -0.068 1.00 0.00 C ATOM 535 CD1 ILE A 681 2.182 -2.902 -2.020 1.00 0.00 C ATOM 0 H ILE A 681 -0.761 -4.753 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 681 1.440 -5.517 -2.153 1.00 0.00 H new ATOM 0 HB ILE A 681 1.146 -4.626 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 681 0.239 -3.114 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 681 1.446 -2.383 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 681 3.510 -3.913 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 681 3.352 -5.670 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 681 3.591 -4.601 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 681 1.951 -1.923 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 681 3.228 -2.929 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 681 2.002 -3.671 -2.771 1.00 0.00 H new ATOM 547 N SER A 682 0.931 -7.526 0.403 1.00 0.00 N ATOM 548 CA SER A 682 1.334 -8.885 0.877 1.00 0.00 C ATOM 549 C SER A 682 1.017 -9.956 -0.173 1.00 0.00 C ATOM 550 O SER A 682 1.823 -10.824 -0.436 1.00 0.00 O ATOM 551 CB SER A 682 0.507 -9.141 2.133 1.00 0.00 C ATOM 552 OG SER A 682 0.967 -8.298 3.177 1.00 0.00 O ATOM 0 H SER A 682 0.210 -7.063 0.957 1.00 0.00 H new ATOM 0 HA SER A 682 2.407 -8.930 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 682 -0.547 -8.950 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 682 0.590 -10.186 2.431 1.00 0.00 H new ATOM 0 HG SER A 682 0.436 -8.459 3.985 1.00 0.00 H new ATOM 558 N ARG A 683 -0.147 -9.917 -0.769 1.00 0.00 N ATOM 559 CA ARG A 683 -0.479 -10.953 -1.786 1.00 0.00 C ATOM 560 C ARG A 683 0.274 -10.663 -3.083 1.00 0.00 C ATOM 561 O ARG A 683 0.729 -11.558 -3.778 1.00 0.00 O ATOM 562 CB ARG A 683 -1.999 -10.888 -1.971 1.00 0.00 C ATOM 563 CG ARG A 683 -2.413 -9.592 -2.674 1.00 0.00 C ATOM 564 CD ARG A 683 -3.940 -9.582 -2.821 1.00 0.00 C ATOM 565 NE ARG A 683 -4.256 -8.390 -3.659 1.00 0.00 N ATOM 566 CZ ARG A 683 -4.288 -8.500 -4.961 1.00 0.00 C ATOM 567 NH1 ARG A 683 -3.666 -9.484 -5.544 1.00 0.00 N ATOM 568 NH2 ARG A 683 -4.937 -7.621 -5.680 1.00 0.00 N ATOM 0 H ARG A 683 -0.872 -9.221 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 683 -0.181 -11.955 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 683 -2.335 -11.745 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 683 -2.490 -10.952 -1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 683 -2.083 -8.727 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 683 -1.938 -9.524 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 683 -4.294 -10.498 -3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 683 -4.427 -9.517 -1.848 1.00 0.00 H new ATOM 0 HE ARG A 683 -4.447 -7.491 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -3.155 -10.167 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -3.690 -9.572 -6.560 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -5.420 -6.847 -5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -4.960 -7.710 -6.696 1.00 0.00 H new ATOM 582 N VAL A 684 0.448 -9.412 -3.383 1.00 0.00 N ATOM 583 CA VAL A 684 1.201 -9.027 -4.598 1.00 0.00 C ATOM 584 C VAL A 684 2.674 -9.324 -4.375 1.00 0.00 C ATOM 585 O VAL A 684 3.415 -9.594 -5.300 1.00 0.00 O ATOM 586 CB VAL A 684 0.953 -7.529 -4.740 1.00 0.00 C ATOM 587 CG1 VAL A 684 2.038 -6.901 -5.611 1.00 0.00 C ATOM 588 CG2 VAL A 684 -0.401 -7.316 -5.404 1.00 0.00 C ATOM 0 H VAL A 684 0.095 -8.631 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 684 0.895 -9.567 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 684 0.970 -7.064 -3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 684 1.853 -5.831 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 684 3.013 -7.061 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 684 2.024 -7.362 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 684 -0.590 -6.248 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 684 -0.402 -7.785 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 684 -1.182 -7.763 -4.789 1.00 0.00 H new ATOM 598 N LEU A 685 3.105 -9.281 -3.149 1.00 0.00 N ATOM 599 CA LEU A 685 4.527 -9.565 -2.874 1.00 0.00 C ATOM 600 C LEU A 685 4.860 -10.966 -3.391 1.00 0.00 C ATOM 601 O LEU A 685 5.790 -11.148 -4.129 1.00 0.00 O ATOM 602 CB LEU A 685 4.663 -9.488 -1.348 1.00 0.00 C ATOM 603 CG LEU A 685 5.579 -8.322 -0.944 1.00 0.00 C ATOM 604 CD1 LEU A 685 6.815 -8.293 -1.835 1.00 0.00 C ATOM 605 CD2 LEU A 685 4.834 -6.994 -1.095 1.00 0.00 C ATOM 0 H LEU A 685 2.534 -9.062 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 685 5.208 -8.868 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 685 3.680 -9.358 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 685 5.068 -10.425 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 685 5.877 -8.463 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 685 7.457 -7.463 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 685 7.362 -9.230 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 685 6.512 -8.165 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 685 5.491 -6.173 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 685 4.527 -6.865 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 685 3.953 -6.996 -0.453 1.00 0.00 H new ATOM 617 N LYS A 686 4.100 -11.958 -3.034 1.00 0.00 N ATOM 618 CA LYS A 686 4.417 -13.324 -3.542 1.00 0.00 C ATOM 619 C LYS A 686 4.263 -13.391 -5.064 1.00 0.00 C ATOM 620 O LYS A 686 5.093 -13.952 -5.750 1.00 0.00 O ATOM 621 CB LYS A 686 3.412 -14.242 -2.854 1.00 0.00 C ATOM 622 CG LYS A 686 3.689 -14.239 -1.351 1.00 0.00 C ATOM 623 CD LYS A 686 4.693 -15.339 -1.002 1.00 0.00 C ATOM 624 CE LYS A 686 4.966 -15.317 0.505 1.00 0.00 C ATOM 625 NZ LYS A 686 6.300 -15.960 0.672 1.00 0.00 N ATOM 0 H LYS A 686 3.286 -11.889 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 686 5.447 -13.610 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 686 2.395 -13.903 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 686 3.493 -15.254 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 686 4.080 -13.268 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 686 2.761 -14.395 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 686 4.301 -16.312 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 686 5.621 -15.188 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 686 4.970 -14.297 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 686 4.196 -15.861 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 6.552 -15.980 1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 6.265 -16.932 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 7.015 -15.417 0.147 1.00 0.00 H new ATOM 639 N LYS A 687 3.225 -12.824 -5.613 1.00 0.00 N ATOM 640 CA LYS A 687 3.079 -12.884 -7.096 1.00 0.00 C ATOM 641 C LYS A 687 4.097 -11.961 -7.766 1.00 0.00 C ATOM 642 O LYS A 687 4.408 -12.114 -8.931 1.00 0.00 O ATOM 643 CB LYS A 687 1.648 -12.424 -7.409 1.00 0.00 C ATOM 644 CG LYS A 687 1.386 -12.554 -8.917 1.00 0.00 C ATOM 645 CD LYS A 687 0.642 -13.864 -9.198 1.00 0.00 C ATOM 646 CE LYS A 687 0.663 -14.159 -10.700 1.00 0.00 C ATOM 647 NZ LYS A 687 -0.350 -13.236 -11.282 1.00 0.00 N ATOM 0 H LYS A 687 2.485 -12.331 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 687 3.259 -13.891 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 687 0.931 -13.026 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 687 1.510 -11.390 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 687 0.797 -11.707 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 687 2.329 -12.535 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 687 1.109 -14.683 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -0.387 -13.791 -8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 687 1.651 -13.981 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 687 0.412 -15.200 -10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -0.974 -13.766 -11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -0.916 -12.815 -10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 0.131 -12.482 -11.812 1.00 0.00 H new ATOM 661 N ASN A 688 4.600 -10.984 -7.059 1.00 0.00 N ATOM 662 CA ASN A 688 5.559 -10.044 -7.705 1.00 0.00 C ATOM 663 C ASN A 688 6.892 -9.911 -6.926 1.00 0.00 C ATOM 664 O ASN A 688 7.673 -9.024 -7.201 1.00 0.00 O ATOM 665 CB ASN A 688 4.783 -8.717 -7.746 1.00 0.00 C ATOM 666 CG ASN A 688 5.222 -7.783 -6.616 1.00 0.00 C ATOM 667 OD1 ASN A 688 5.430 -8.271 -5.425 1.00 0.00 O flip ATOM 668 ND2 ASN A 688 5.379 -6.596 -6.825 1.00 0.00 N flip ATOM 0 H ASN A 688 4.392 -10.798 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 688 5.871 -10.389 -8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 688 4.943 -8.229 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 688 3.714 -8.915 -7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 688 5.216 -6.216 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 688 5.674 -5.980 -6.068 1.00 0.00 H new ATOM 675 N ASN A 689 7.173 -10.766 -5.977 1.00 0.00 N ATOM 676 CA ASN A 689 8.473 -10.628 -5.232 1.00 0.00 C ATOM 677 C ASN A 689 9.618 -11.192 -6.058 1.00 0.00 C ATOM 678 O ASN A 689 10.758 -11.195 -5.637 1.00 0.00 O ATOM 679 CB ASN A 689 8.326 -11.412 -3.927 1.00 0.00 C ATOM 680 CG ASN A 689 8.013 -12.871 -4.255 1.00 0.00 C ATOM 681 OD1 ASN A 689 7.529 -13.170 -5.329 1.00 0.00 O ATOM 682 ND2 ASN A 689 8.263 -13.799 -3.375 1.00 0.00 N ATOM 0 H ASN A 689 6.577 -11.540 -5.685 1.00 0.00 H new ATOM 0 HA ASN A 689 8.695 -9.580 -5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 689 9.244 -11.346 -3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 689 7.530 -10.984 -3.318 1.00 0.00 H new ATOM 0 HD21 ASN A 689 8.053 -14.774 -3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 689 8.669 -13.550 -2.473 1.00 0.00 H new ATOM 689 N ARG A 690 9.339 -11.636 -7.247 1.00 0.00 N ATOM 690 CA ARG A 690 10.441 -12.146 -8.106 1.00 0.00 C ATOM 691 C ARG A 690 10.915 -11.034 -9.048 1.00 0.00 C ATOM 692 O ARG A 690 11.904 -11.172 -9.740 1.00 0.00 O ATOM 693 CB ARG A 690 9.853 -13.310 -8.890 1.00 0.00 C ATOM 694 CG ARG A 690 10.935 -13.895 -9.796 1.00 0.00 C ATOM 695 CD ARG A 690 10.369 -15.102 -10.544 1.00 0.00 C ATOM 696 NE ARG A 690 11.519 -15.658 -11.315 1.00 0.00 N ATOM 697 CZ ARG A 690 12.305 -16.554 -10.777 1.00 0.00 C ATOM 698 NH1 ARG A 690 12.284 -16.767 -9.489 1.00 0.00 N ATOM 699 NH2 ARG A 690 13.107 -17.249 -11.534 1.00 0.00 N ATOM 0 H ARG A 690 8.407 -11.669 -7.660 1.00 0.00 H new ATOM 0 HA ARG A 690 11.304 -12.466 -7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 690 9.480 -14.074 -8.208 1.00 0.00 H new ATOM 0 HB3 ARG A 690 9.005 -12.973 -9.486 1.00 0.00 H new ATOM 0 HG2 ARG A 690 11.278 -13.142 -10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 690 11.800 -14.193 -9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 690 9.965 -15.841 -9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 690 9.555 -14.808 -11.207 1.00 0.00 H new ATOM 0 HE ARG A 690 11.693 -15.337 -12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 690 11.651 -16.233 -8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 690 12.901 -17.468 -9.078 1.00 0.00 H new ATOM 0 HH21 ARG A 690 13.120 -17.093 -12.542 1.00 0.00 H new ATOM 0 HH22 ARG A 690 13.722 -17.949 -11.118 1.00 0.00 H new ATOM 713 N ASP A 691 10.211 -9.935 -9.077 1.00 0.00 N ATOM 714 CA ASP A 691 10.606 -8.808 -9.971 1.00 0.00 C ATOM 715 C ASP A 691 10.628 -7.488 -9.201 1.00 0.00 C ATOM 716 O ASP A 691 11.484 -6.648 -9.407 1.00 0.00 O ATOM 717 CB ASP A 691 9.515 -8.770 -11.039 1.00 0.00 C ATOM 718 CG ASP A 691 9.690 -9.968 -11.969 1.00 0.00 C ATOM 719 OD1 ASP A 691 10.747 -10.572 -11.923 1.00 0.00 O ATOM 720 OD2 ASP A 691 8.767 -10.259 -12.711 1.00 0.00 O ATOM 0 H ASP A 691 9.375 -9.768 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 691 11.603 -8.946 -10.388 1.00 0.00 H new ATOM 0 HB2 ASP A 691 8.530 -8.796 -10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 691 9.575 -7.841 -11.606 1.00 0.00 H new ATOM 725 N SER A 692 9.672 -7.291 -8.342 1.00 0.00 N ATOM 726 CA SER A 692 9.592 -6.015 -7.575 1.00 0.00 C ATOM 727 C SER A 692 10.226 -6.158 -6.187 1.00 0.00 C ATOM 728 O SER A 692 11.253 -6.783 -6.019 1.00 0.00 O ATOM 729 CB SER A 692 8.097 -5.751 -7.451 1.00 0.00 C ATOM 730 OG SER A 692 7.505 -5.813 -8.742 1.00 0.00 O ATOM 0 H SER A 692 8.934 -7.964 -8.134 1.00 0.00 H new ATOM 0 HA SER A 692 10.129 -5.205 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 692 7.639 -6.488 -6.791 1.00 0.00 H new ATOM 0 HB3 SER A 692 7.924 -4.772 -7.005 1.00 0.00 H new ATOM 0 HG SER A 692 6.643 -5.347 -8.729 1.00 0.00 H new ATOM 736 N ALA A 693 9.619 -5.558 -5.196 1.00 0.00 N ATOM 737 CA ALA A 693 10.168 -5.628 -3.809 1.00 0.00 C ATOM 738 C ALA A 693 9.873 -6.990 -3.165 1.00 0.00 C ATOM 739 O ALA A 693 9.151 -7.807 -3.706 1.00 0.00 O ATOM 740 CB ALA A 693 9.448 -4.522 -3.043 1.00 0.00 C ATOM 0 H ALA A 693 8.759 -5.018 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 693 11.251 -5.507 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 693 9.797 -4.508 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 693 9.658 -3.560 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 693 8.374 -4.707 -3.060 1.00 0.00 H new ATOM 746 N VAL A 694 10.437 -7.227 -2.008 1.00 0.00 N ATOM 747 CA VAL A 694 10.223 -8.521 -1.285 1.00 0.00 C ATOM 748 C VAL A 694 10.128 -8.267 0.222 1.00 0.00 C ATOM 749 O VAL A 694 10.358 -7.171 0.682 1.00 0.00 O ATOM 750 CB VAL A 694 11.478 -9.330 -1.587 1.00 0.00 C ATOM 751 CG1 VAL A 694 11.444 -10.659 -0.818 1.00 0.00 C ATOM 752 CG2 VAL A 694 11.556 -9.583 -3.097 1.00 0.00 C ATOM 0 H VAL A 694 11.047 -6.568 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 694 9.307 -9.026 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 694 12.361 -8.775 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 694 12.345 -11.231 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 694 11.396 -10.459 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 694 10.567 -11.232 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 694 12.452 -10.162 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 694 10.675 -10.138 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 694 11.597 -8.630 -3.624 1.00 0.00 H new ATOM 762 N ALA A 695 9.793 -9.273 0.991 1.00 0.00 N ATOM 763 CA ALA A 695 9.684 -9.085 2.472 1.00 0.00 C ATOM 764 C ALA A 695 8.794 -7.875 2.766 1.00 0.00 C ATOM 765 O ALA A 695 9.201 -6.737 2.621 1.00 0.00 O ATOM 766 CB ALA A 695 11.115 -8.850 2.964 1.00 0.00 C ATOM 0 H ALA A 695 9.590 -10.216 0.658 1.00 0.00 H new ATOM 0 HA ALA A 695 9.237 -9.944 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 695 11.109 -8.704 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 695 11.731 -9.715 2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 695 11.525 -7.963 2.480 1.00 0.00 H new ATOM 772 N SER A 696 7.567 -8.104 3.147 1.00 0.00 N ATOM 773 CA SER A 696 6.660 -6.952 3.408 1.00 0.00 C ATOM 774 C SER A 696 6.681 -6.549 4.880 1.00 0.00 C ATOM 775 O SER A 696 5.695 -6.643 5.583 1.00 0.00 O ATOM 776 CB SER A 696 5.268 -7.429 3.002 1.00 0.00 C ATOM 777 OG SER A 696 5.396 -8.562 2.150 1.00 0.00 O ATOM 0 H SER A 696 7.157 -9.028 3.287 1.00 0.00 H new ATOM 0 HA SER A 696 6.970 -6.070 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 696 4.686 -7.687 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 696 4.731 -6.631 2.489 1.00 0.00 H new ATOM 0 HG SER A 696 4.506 -8.875 1.886 1.00 0.00 H new ATOM 783 N GLU A 697 7.791 -6.050 5.331 1.00 0.00 N ATOM 784 CA GLU A 697 7.894 -5.568 6.733 1.00 0.00 C ATOM 785 C GLU A 697 8.264 -4.094 6.676 1.00 0.00 C ATOM 786 O GLU A 697 9.427 -3.747 6.667 1.00 0.00 O ATOM 787 CB GLU A 697 9.032 -6.373 7.336 1.00 0.00 C ATOM 788 CG GLU A 697 8.610 -7.829 7.420 1.00 0.00 C ATOM 789 CD GLU A 697 9.633 -8.610 8.247 1.00 0.00 C ATOM 790 OE1 GLU A 697 10.812 -8.329 8.111 1.00 0.00 O ATOM 791 OE2 GLU A 697 9.221 -9.475 8.998 1.00 0.00 O ATOM 0 H GLU A 697 8.645 -5.953 4.781 1.00 0.00 H new ATOM 0 HA GLU A 697 6.978 -5.682 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 697 9.929 -6.275 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 697 9.279 -5.994 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 697 7.623 -7.907 7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 697 8.534 -8.255 6.420 1.00 0.00 H new ATOM 798 N PHE A 698 7.310 -3.223 6.533 1.00 0.00 N ATOM 799 CA PHE A 698 7.685 -1.813 6.362 1.00 0.00 C ATOM 800 C PHE A 698 6.635 -0.833 6.889 1.00 0.00 C ATOM 801 O PHE A 698 5.498 -1.178 7.142 1.00 0.00 O ATOM 802 CB PHE A 698 7.866 -1.707 4.845 1.00 0.00 C ATOM 803 CG PHE A 698 6.677 -2.234 4.100 1.00 0.00 C ATOM 804 CD1 PHE A 698 6.289 -3.576 4.180 1.00 0.00 C ATOM 805 CD2 PHE A 698 5.990 -1.372 3.310 1.00 0.00 C ATOM 806 CE1 PHE A 698 5.187 -4.032 3.462 1.00 0.00 C ATOM 807 CE2 PHE A 698 4.887 -1.807 2.586 1.00 0.00 C ATOM 808 CZ PHE A 698 4.478 -3.137 2.659 1.00 0.00 C ATOM 0 H PHE A 698 6.311 -3.427 6.528 1.00 0.00 H new ATOM 0 HA PHE A 698 8.573 -1.543 6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 698 8.033 -0.665 4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 698 8.756 -2.261 4.546 1.00 0.00 H new ATOM 0 HD1 PHE A 698 6.847 -4.261 4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 698 6.302 -0.340 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 698 4.884 -5.067 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 698 4.344 -1.111 1.964 1.00 0.00 H new ATOM 0 HZ PHE A 698 3.618 -3.473 2.098 1.00 0.00 H new ATOM 818 N GLU A 699 7.031 0.404 7.031 1.00 0.00 N ATOM 819 CA GLU A 699 6.112 1.465 7.520 1.00 0.00 C ATOM 820 C GLU A 699 5.566 2.276 6.337 1.00 0.00 C ATOM 821 O GLU A 699 6.300 2.749 5.487 1.00 0.00 O ATOM 822 CB GLU A 699 6.985 2.326 8.433 1.00 0.00 C ATOM 823 CG GLU A 699 6.193 3.534 8.931 1.00 0.00 C ATOM 824 CD GLU A 699 7.108 4.758 8.935 1.00 0.00 C ATOM 825 OE1 GLU A 699 7.379 5.272 7.862 1.00 0.00 O ATOM 826 OE2 GLU A 699 7.523 5.161 10.008 1.00 0.00 O ATOM 0 H GLU A 699 7.976 0.727 6.823 1.00 0.00 H new ATOM 0 HA GLU A 699 5.242 1.071 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 699 7.332 1.735 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 699 7.871 2.660 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 699 5.330 3.710 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 699 5.810 3.346 9.934 1.00 0.00 H new ATOM 833 N LEU A 700 4.267 2.385 6.270 1.00 0.00 N ATOM 834 CA LEU A 700 3.595 3.107 5.150 1.00 0.00 C ATOM 835 C LEU A 700 3.021 4.464 5.578 1.00 0.00 C ATOM 836 O LEU A 700 2.443 4.613 6.638 1.00 0.00 O ATOM 837 CB LEU A 700 2.462 2.155 4.772 1.00 0.00 C ATOM 838 CG LEU A 700 2.981 0.802 4.239 1.00 0.00 C ATOM 839 CD1 LEU A 700 4.498 0.775 4.049 1.00 0.00 C ATOM 840 CD2 LEU A 700 2.596 -0.328 5.201 1.00 0.00 C ATOM 0 H LEU A 700 3.627 1.994 6.962 1.00 0.00 H new ATOM 0 HA LEU A 700 4.285 3.338 4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 700 1.832 1.981 5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 700 1.835 2.624 4.014 1.00 0.00 H new ATOM 0 HG LEU A 700 2.515 0.662 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 700 4.800 -0.202 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 700 4.789 1.545 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 700 4.988 0.963 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 700 2.967 -1.277 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 700 3.036 -0.138 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 700 1.511 -0.373 5.293 1.00 0.00 H new ATOM 852 N VAL A 701 3.156 5.444 4.723 1.00 0.00 N ATOM 853 CA VAL A 701 2.604 6.796 5.016 1.00 0.00 C ATOM 854 C VAL A 701 1.689 7.212 3.871 1.00 0.00 C ATOM 855 O VAL A 701 2.091 7.268 2.726 1.00 0.00 O ATOM 856 CB VAL A 701 3.821 7.719 5.112 1.00 0.00 C ATOM 857 CG1 VAL A 701 3.374 9.180 5.205 1.00 0.00 C ATOM 858 CG2 VAL A 701 4.601 7.367 6.374 1.00 0.00 C ATOM 0 H VAL A 701 3.631 5.362 3.824 1.00 0.00 H new ATOM 0 HA VAL A 701 2.018 6.829 5.934 1.00 0.00 H new ATOM 0 HB VAL A 701 4.440 7.589 4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 701 4.250 9.825 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 701 2.799 9.442 4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 701 2.755 9.315 6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 701 5.472 8.017 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 701 3.962 7.504 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 701 4.927 6.328 6.322 1.00 0.00 H new ATOM 868 N GLN A 702 0.454 7.487 4.165 1.00 0.00 N ATOM 869 CA GLN A 702 -0.492 7.875 3.087 1.00 0.00 C ATOM 870 C GLN A 702 -0.580 9.392 2.935 1.00 0.00 C ATOM 871 O GLN A 702 -0.202 10.143 3.809 1.00 0.00 O ATOM 872 CB GLN A 702 -1.853 7.339 3.514 1.00 0.00 C ATOM 873 CG GLN A 702 -2.847 7.579 2.377 1.00 0.00 C ATOM 874 CD GLN A 702 -4.234 7.081 2.776 1.00 0.00 C ATOM 875 OE1 GLN A 702 -4.513 6.901 3.942 1.00 0.00 O ATOM 876 NE2 GLN A 702 -5.128 6.864 1.848 1.00 0.00 N ATOM 0 H GLN A 702 0.057 7.460 5.104 1.00 0.00 H new ATOM 0 HA GLN A 702 -0.160 7.473 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 702 -1.787 6.275 3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 702 -2.189 7.839 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 702 -2.889 8.642 2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 702 -2.512 7.064 1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 702 -4.892 7.016 0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 702 -6.062 6.543 2.104 1.00 0.00 H new ATOM 885 N LEU A 703 -1.096 9.819 1.813 1.00 0.00 N ATOM 886 CA LEU A 703 -1.270 11.280 1.526 1.00 0.00 C ATOM 887 C LEU A 703 0.064 11.927 1.161 1.00 0.00 C ATOM 888 O LEU A 703 1.056 11.784 1.850 1.00 0.00 O ATOM 889 CB LEU A 703 -1.897 11.905 2.788 1.00 0.00 C ATOM 890 CG LEU A 703 -3.340 12.335 2.483 1.00 0.00 C ATOM 891 CD1 LEU A 703 -3.356 13.433 1.415 1.00 0.00 C ATOM 892 CD2 LEU A 703 -4.130 11.128 1.972 1.00 0.00 C ATOM 0 H LEU A 703 -1.413 9.204 1.064 1.00 0.00 H new ATOM 0 HA LEU A 703 -1.920 11.442 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 703 -1.886 11.186 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 703 -1.310 12.765 3.111 1.00 0.00 H new ATOM 0 HG LEU A 703 -3.793 12.721 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 703 -4.386 13.726 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 703 -2.797 14.297 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 703 -2.897 13.058 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 703 -5.155 11.429 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 703 -3.664 10.746 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 703 -4.135 10.348 2.733 1.00 0.00 H new ATOM 904 N LEU A 704 0.076 12.633 0.062 1.00 0.00 N ATOM 905 CA LEU A 704 1.322 13.305 -0.401 1.00 0.00 C ATOM 906 C LEU A 704 1.813 14.310 0.656 1.00 0.00 C ATOM 907 O LEU A 704 2.997 14.374 0.922 1.00 0.00 O ATOM 908 CB LEU A 704 0.956 14.018 -1.718 1.00 0.00 C ATOM 909 CG LEU A 704 0.796 13.001 -2.860 1.00 0.00 C ATOM 910 CD1 LEU A 704 -0.320 12.011 -2.523 1.00 0.00 C ATOM 911 CD2 LEU A 704 0.416 13.735 -4.150 1.00 0.00 C ATOM 0 H LEU A 704 -0.735 12.773 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 704 2.132 12.592 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 704 0.029 14.577 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 704 1.731 14.741 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 704 1.738 12.469 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 704 -0.428 11.294 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 704 -0.071 11.482 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 704 -1.257 12.551 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 704 0.303 13.014 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 704 -0.524 14.266 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 704 1.199 14.448 -4.407 1.00 0.00 H new ATOM 923 N PRO A 705 0.898 15.058 1.247 1.00 0.00 N ATOM 924 CA PRO A 705 1.284 16.034 2.293 1.00 0.00 C ATOM 925 C PRO A 705 1.772 15.289 3.537 1.00 0.00 C ATOM 926 O PRO A 705 2.607 15.770 4.276 1.00 0.00 O ATOM 927 CB PRO A 705 -0.033 16.775 2.562 1.00 0.00 C ATOM 928 CG PRO A 705 -1.120 16.196 1.641 1.00 0.00 C ATOM 929 CD PRO A 705 -0.544 14.978 0.917 1.00 0.00 C ATOM 0 HA PRO A 705 2.094 16.705 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 705 -0.323 16.663 3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 705 0.089 17.842 2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 705 -1.997 15.911 2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 705 -1.445 16.946 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 705 -0.990 14.048 1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 705 -0.717 15.026 -0.158 1.00 0.00 H new ATOM 937 N GLY A 706 1.254 14.110 3.765 1.00 0.00 N ATOM 938 CA GLY A 706 1.678 13.315 4.954 1.00 0.00 C ATOM 939 C GLY A 706 0.794 13.655 6.152 1.00 0.00 C ATOM 940 O GLY A 706 1.084 14.551 6.919 1.00 0.00 O ATOM 0 H GLY A 706 0.552 13.662 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 706 1.610 12.250 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 706 2.721 13.526 5.190 1.00 0.00 H new ATOM 944 N ASP A 707 -0.277 12.933 6.325 1.00 0.00 N ATOM 945 CA ASP A 707 -1.179 13.195 7.480 1.00 0.00 C ATOM 946 C ASP A 707 -1.525 11.871 8.165 1.00 0.00 C ATOM 947 O ASP A 707 -1.348 11.711 9.355 1.00 0.00 O ATOM 948 CB ASP A 707 -2.434 13.838 6.878 1.00 0.00 C ATOM 949 CG ASP A 707 -3.379 14.280 8.001 1.00 0.00 C ATOM 950 OD1 ASP A 707 -3.006 14.139 9.153 1.00 0.00 O ATOM 951 OD2 ASP A 707 -4.462 14.752 7.689 1.00 0.00 O ATOM 0 H ASP A 707 -0.567 12.170 5.714 1.00 0.00 H new ATOM 0 HA ASP A 707 -0.723 13.842 8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 707 -2.156 14.695 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 707 -2.939 13.128 6.223 1.00 0.00 H new ATOM 956 N ARG A 708 -2.012 10.918 7.416 1.00 0.00 N ATOM 957 CA ARG A 708 -2.363 9.601 8.026 1.00 0.00 C ATOM 958 C ARG A 708 -1.407 8.536 7.502 1.00 0.00 C ATOM 959 O ARG A 708 -1.001 8.559 6.358 1.00 0.00 O ATOM 960 CB ARG A 708 -3.805 9.318 7.582 1.00 0.00 C ATOM 961 CG ARG A 708 -4.631 10.591 7.781 1.00 0.00 C ATOM 962 CD ARG A 708 -6.122 10.284 7.668 1.00 0.00 C ATOM 963 NE ARG A 708 -6.768 11.623 7.606 1.00 0.00 N ATOM 964 CZ ARG A 708 -7.777 11.819 6.806 1.00 0.00 C ATOM 965 NH1 ARG A 708 -8.601 10.841 6.559 1.00 0.00 N ATOM 966 NH2 ARG A 708 -7.958 12.988 6.253 1.00 0.00 N ATOM 0 H ARG A 708 -2.182 10.993 6.413 1.00 0.00 H new ATOM 0 HA ARG A 708 -2.283 9.602 9.113 1.00 0.00 H new ATOM 0 HB2 ARG A 708 -3.826 9.012 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 708 -4.227 8.498 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 708 -4.416 11.022 8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 708 -4.349 11.335 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 708 -6.341 9.695 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 708 -6.476 9.710 8.524 1.00 0.00 H new ATOM 0 HE ARG A 708 -6.422 12.385 8.188 1.00 0.00 H new ATOM 0 HH11 ARG A 708 -8.454 9.929 6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 708 -9.393 10.987 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 708 -7.308 13.750 6.447 1.00 0.00 H new ATOM 0 HH22 ARG A 708 -8.749 13.139 5.627 1.00 0.00 H new ATOM 980 N GLU A 709 -1.027 7.614 8.335 1.00 0.00 N ATOM 981 CA GLU A 709 -0.079 6.563 7.885 1.00 0.00 C ATOM 982 C GLU A 709 -0.810 5.237 7.666 1.00 0.00 C ATOM 983 O GLU A 709 -1.783 4.932 8.327 1.00 0.00 O ATOM 984 CB GLU A 709 0.938 6.452 9.015 1.00 0.00 C ATOM 985 CG GLU A 709 1.714 7.766 9.119 1.00 0.00 C ATOM 986 CD GLU A 709 0.951 8.749 10.011 1.00 0.00 C ATOM 987 OE1 GLU A 709 -0.143 8.414 10.437 1.00 0.00 O ATOM 988 OE2 GLU A 709 1.477 9.820 10.255 1.00 0.00 O ATOM 0 H GLU A 709 -1.331 7.542 9.306 1.00 0.00 H new ATOM 0 HA GLU A 709 0.395 6.808 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 709 0.432 6.238 9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 709 1.622 5.625 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 709 2.706 7.582 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 709 1.855 8.195 8.127 1.00 0.00 H new ATOM 995 N LEU A 710 -0.356 4.454 6.729 1.00 0.00 N ATOM 996 CA LEU A 710 -1.029 3.153 6.449 1.00 0.00 C ATOM 997 C LEU A 710 -0.093 1.977 6.788 1.00 0.00 C ATOM 998 O LEU A 710 0.076 1.065 6.011 1.00 0.00 O ATOM 999 CB LEU A 710 -1.336 3.212 4.945 1.00 0.00 C ATOM 1000 CG LEU A 710 -2.021 1.920 4.489 1.00 0.00 C ATOM 1001 CD1 LEU A 710 -3.481 1.933 4.937 1.00 0.00 C ATOM 1002 CD2 LEU A 710 -1.938 1.808 2.963 1.00 0.00 C ATOM 0 H LEU A 710 0.454 4.658 6.143 1.00 0.00 H new ATOM 0 HA LEU A 710 -1.927 2.999 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 710 -1.978 4.066 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 710 -0.413 3.359 4.384 1.00 0.00 H new ATOM 0 HG LEU A 710 -1.520 1.061 4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 710 -3.969 1.014 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 710 -3.528 2.005 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 710 -3.990 2.790 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 710 -2.425 0.889 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 710 -2.437 2.663 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 710 -0.892 1.792 2.656 1.00 0.00 H new ATOM 1014 N THR A 711 0.526 1.995 7.938 1.00 0.00 N ATOM 1015 CA THR A 711 1.456 0.880 8.309 1.00 0.00 C ATOM 1016 C THR A 711 0.674 -0.370 8.761 1.00 0.00 C ATOM 1017 O THR A 711 -0.523 -0.464 8.571 1.00 0.00 O ATOM 1018 CB THR A 711 2.339 1.440 9.426 1.00 0.00 C ATOM 1019 OG1 THR A 711 1.546 1.747 10.559 1.00 0.00 O ATOM 1020 CG2 THR A 711 3.027 2.711 8.945 1.00 0.00 C ATOM 0 H THR A 711 0.431 2.731 8.638 1.00 0.00 H new ATOM 0 HA THR A 711 2.058 0.553 7.461 1.00 0.00 H new ATOM 0 HB THR A 711 3.086 0.693 9.694 1.00 0.00 H new ATOM 0 HG1 THR A 711 2.117 2.104 11.271 1.00 0.00 H new ATOM 0 HG21 THR A 711 3.655 3.108 9.742 1.00 0.00 H new ATOM 0 HG22 THR A 711 3.644 2.484 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 711 2.275 3.451 8.673 1.00 0.00 H new ATOM 1028 N ILE A 712 1.355 -1.361 9.300 1.00 0.00 N ATOM 1029 CA ILE A 712 0.658 -2.632 9.694 1.00 0.00 C ATOM 1030 C ILE A 712 -0.333 -2.497 10.886 1.00 0.00 C ATOM 1031 O ILE A 712 -1.304 -3.224 10.907 1.00 0.00 O ATOM 1032 CB ILE A 712 1.767 -3.664 10.007 1.00 0.00 C ATOM 1033 CG1 ILE A 712 2.514 -3.312 11.306 1.00 0.00 C ATOM 1034 CG2 ILE A 712 2.752 -3.744 8.838 1.00 0.00 C ATOM 1035 CD1 ILE A 712 3.692 -2.346 11.042 1.00 0.00 C ATOM 0 H ILE A 712 2.358 -1.344 9.483 1.00 0.00 H new ATOM 0 HA ILE A 712 0.020 -2.943 8.867 1.00 0.00 H new ATOM 0 HB ILE A 712 1.293 -4.635 10.148 1.00 0.00 H new ATOM 0 HG12 ILE A 712 1.821 -2.856 12.013 1.00 0.00 H new ATOM 0 HG13 ILE A 712 2.888 -4.225 11.770 1.00 0.00 H new ATOM 0 HG21 ILE A 712 3.530 -4.473 9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 712 2.222 -4.050 7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 712 3.207 -2.766 8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 712 4.195 -2.120 11.982 1.00 0.00 H new ATOM 0 HD12 ILE A 712 4.398 -2.813 10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 712 3.314 -1.423 10.602 1.00 0.00 H new ATOM 1047 N PRO A 713 -0.114 -1.612 11.846 1.00 0.00 N ATOM 1048 CA PRO A 713 -1.080 -1.505 12.973 1.00 0.00 C ATOM 1049 C PRO A 713 -2.495 -1.232 12.472 1.00 0.00 C ATOM 1050 O PRO A 713 -3.455 -1.369 13.203 1.00 0.00 O ATOM 1051 CB PRO A 713 -0.547 -0.314 13.771 1.00 0.00 C ATOM 1052 CG PRO A 713 0.737 0.195 13.099 1.00 0.00 C ATOM 1053 CD PRO A 713 1.041 -0.682 11.877 1.00 0.00 C ATOM 0 HA PRO A 713 -1.153 -2.422 13.557 1.00 0.00 H new ATOM 0 HB2 PRO A 713 -1.293 0.479 13.809 1.00 0.00 H new ATOM 0 HB3 PRO A 713 -0.343 -0.610 14.800 1.00 0.00 H new ATOM 0 HG2 PRO A 713 0.617 1.235 12.796 1.00 0.00 H new ATOM 0 HG3 PRO A 713 1.569 0.162 13.803 1.00 0.00 H new ATOM 0 HD2 PRO A 713 1.110 -0.092 10.963 1.00 0.00 H new ATOM 0 HD3 PRO A 713 1.986 -1.214 11.986 1.00 0.00 H new ATOM 1061 N HIS A 714 -2.639 -0.848 11.237 1.00 0.00 N ATOM 1062 CA HIS A 714 -4.000 -0.566 10.710 1.00 0.00 C ATOM 1063 C HIS A 714 -4.786 -1.873 10.515 1.00 0.00 C ATOM 1064 O HIS A 714 -4.241 -2.959 10.582 1.00 0.00 O ATOM 1065 CB HIS A 714 -3.772 0.162 9.389 1.00 0.00 C ATOM 1066 CG HIS A 714 -3.217 1.531 9.681 1.00 0.00 C ATOM 1067 ND1 HIS A 714 -4.039 2.640 9.805 1.00 0.00 N ATOM 1068 CD2 HIS A 714 -1.939 1.984 9.911 1.00 0.00 C ATOM 1069 CE1 HIS A 714 -3.257 3.697 10.102 1.00 0.00 C ATOM 1070 NE2 HIS A 714 -1.969 3.355 10.175 1.00 0.00 N ATOM 0 H HIS A 714 -1.877 -0.718 10.572 1.00 0.00 H new ATOM 0 HA HIS A 714 -4.595 0.038 11.395 1.00 0.00 H new ATOM 0 HB2 HIS A 714 -3.080 -0.400 8.762 1.00 0.00 H new ATOM 0 HB3 HIS A 714 -4.708 0.244 8.836 1.00 0.00 H new ATOM 0 HD2 HIS A 714 -1.049 1.373 9.891 1.00 0.00 H new ATOM 0 HE1 HIS A 714 -3.628 4.699 10.261 1.00 0.00 H new ATOM 0 HE2 HIS A 714 -1.177 3.964 10.380 1.00 0.00 H new ATOM 1078 N SER A 715 -6.075 -1.762 10.314 1.00 0.00 N ATOM 1079 CA SER A 715 -6.944 -2.977 10.157 1.00 0.00 C ATOM 1080 C SER A 715 -7.401 -3.180 8.704 1.00 0.00 C ATOM 1081 O SER A 715 -7.148 -2.364 7.842 1.00 0.00 O ATOM 1082 CB SER A 715 -8.153 -2.698 11.042 1.00 0.00 C ATOM 1083 OG SER A 715 -7.740 -2.621 12.399 1.00 0.00 O ATOM 0 H SER A 715 -6.571 -0.873 10.251 1.00 0.00 H new ATOM 0 HA SER A 715 -6.404 -3.883 10.431 1.00 0.00 H new ATOM 0 HB2 SER A 715 -8.629 -1.764 10.742 1.00 0.00 H new ATOM 0 HB3 SER A 715 -8.895 -3.487 10.921 1.00 0.00 H new ATOM 0 HG SER A 715 -8.517 -2.440 12.968 1.00 0.00 H new ATOM 1089 N ALA A 716 -8.071 -4.278 8.429 1.00 0.00 N ATOM 1090 CA ALA A 716 -8.537 -4.544 7.034 1.00 0.00 C ATOM 1091 C ALA A 716 -9.477 -3.432 6.556 1.00 0.00 C ATOM 1092 O ALA A 716 -9.248 -2.828 5.532 1.00 0.00 O ATOM 1093 CB ALA A 716 -9.272 -5.889 7.091 1.00 0.00 C ATOM 0 H ALA A 716 -8.313 -4.997 9.111 1.00 0.00 H new ATOM 0 HA ALA A 716 -7.704 -4.572 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 716 -9.641 -6.145 6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 716 -8.587 -6.664 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 716 -10.112 -5.816 7.782 1.00 0.00 H new ATOM 1099 N ASN A 717 -10.513 -3.127 7.295 1.00 0.00 N ATOM 1100 CA ASN A 717 -11.423 -2.023 6.853 1.00 0.00 C ATOM 1101 C ASN A 717 -10.666 -0.704 6.983 1.00 0.00 C ATOM 1102 O ASN A 717 -11.013 0.155 7.763 1.00 0.00 O ATOM 1103 CB ASN A 717 -12.606 -2.074 7.826 1.00 0.00 C ATOM 1104 CG ASN A 717 -12.114 -1.762 9.243 1.00 0.00 C ATOM 1105 OD1 ASN A 717 -11.652 -2.640 9.942 1.00 0.00 O ATOM 1106 ND2 ASN A 717 -12.181 -0.539 9.697 1.00 0.00 N ATOM 0 H ASN A 717 -10.767 -3.584 8.171 1.00 0.00 H new ATOM 0 HA ASN A 717 -11.760 -2.118 5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 717 -13.368 -1.354 7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 717 -13.071 -3.060 7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 717 -11.846 -0.325 10.636 1.00 0.00 H new ATOM 0 HD22 ASN A 717 -12.569 0.202 9.112 1.00 0.00 H new ATOM 1113 N VAL A 718 -9.598 -0.556 6.249 1.00 0.00 N ATOM 1114 CA VAL A 718 -8.784 0.687 6.382 1.00 0.00 C ATOM 1115 C VAL A 718 -9.118 1.705 5.290 1.00 0.00 C ATOM 1116 O VAL A 718 -9.266 2.878 5.568 1.00 0.00 O ATOM 1117 CB VAL A 718 -7.328 0.202 6.298 1.00 0.00 C ATOM 1118 CG1 VAL A 718 -6.479 1.106 5.394 1.00 0.00 C ATOM 1119 CG2 VAL A 718 -6.738 0.231 7.706 1.00 0.00 C ATOM 0 H VAL A 718 -9.255 -1.234 5.569 1.00 0.00 H new ATOM 0 HA VAL A 718 -8.984 1.213 7.316 1.00 0.00 H new ATOM 0 HB VAL A 718 -7.320 -0.803 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 718 -5.456 0.730 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 718 -6.897 1.110 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 718 -6.479 2.121 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 718 -5.703 -0.109 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 718 -6.773 1.249 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 718 -7.316 -0.426 8.356 1.00 0.00 H new ATOM 1129 N PHE A 719 -9.232 1.296 4.058 1.00 0.00 N ATOM 1130 CA PHE A 719 -9.539 2.309 3.012 1.00 0.00 C ATOM 1131 C PHE A 719 -10.803 3.055 3.384 1.00 0.00 C ATOM 1132 O PHE A 719 -10.855 4.254 3.301 1.00 0.00 O ATOM 1133 CB PHE A 719 -9.691 1.575 1.688 1.00 0.00 C ATOM 1134 CG PHE A 719 -8.402 1.737 0.934 1.00 0.00 C ATOM 1135 CD1 PHE A 719 -7.185 1.510 1.587 1.00 0.00 C ATOM 1136 CD2 PHE A 719 -8.416 2.146 -0.401 1.00 0.00 C ATOM 1137 CE1 PHE A 719 -5.981 1.693 0.902 1.00 0.00 C ATOM 1138 CE2 PHE A 719 -7.212 2.322 -1.089 1.00 0.00 C ATOM 1139 CZ PHE A 719 -5.994 2.097 -0.435 1.00 0.00 C ATOM 0 H PHE A 719 -9.130 0.334 3.736 1.00 0.00 H new ATOM 0 HA PHE A 719 -8.740 3.045 2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 719 -9.907 0.520 1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 719 -10.524 1.984 1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 719 -7.177 1.194 2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 719 -9.356 2.326 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 719 -5.041 1.522 1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 719 -7.221 2.631 -2.124 1.00 0.00 H new ATOM 0 HZ PHE A 719 -5.064 2.236 -0.965 1.00 0.00 H new ATOM 1149 N TYR A 720 -11.803 2.383 3.860 1.00 0.00 N ATOM 1150 CA TYR A 720 -13.015 3.127 4.276 1.00 0.00 C ATOM 1151 C TYR A 720 -12.575 4.273 5.186 1.00 0.00 C ATOM 1152 O TYR A 720 -13.245 5.282 5.319 1.00 0.00 O ATOM 1153 CB TYR A 720 -13.866 2.097 5.015 1.00 0.00 C ATOM 1154 CG TYR A 720 -15.064 2.767 5.628 1.00 0.00 C ATOM 1155 CD1 TYR A 720 -16.137 3.132 4.817 1.00 0.00 C ATOM 1156 CD2 TYR A 720 -15.107 3.007 7.009 1.00 0.00 C ATOM 1157 CE1 TYR A 720 -17.262 3.737 5.379 1.00 0.00 C ATOM 1158 CE2 TYR A 720 -16.232 3.618 7.572 1.00 0.00 C ATOM 1159 CZ TYR A 720 -17.310 3.981 6.757 1.00 0.00 C ATOM 1160 OH TYR A 720 -18.424 4.574 7.310 1.00 0.00 O ATOM 0 H TYR A 720 -11.837 1.370 3.978 1.00 0.00 H new ATOM 0 HA TYR A 720 -13.580 3.566 3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -14.188 1.317 4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -13.273 1.612 5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -16.098 2.947 3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -14.275 2.721 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -18.095 4.017 4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -16.269 3.809 8.634 1.00 0.00 H new ATOM 0 HH TYR A 720 -18.297 4.671 8.277 1.00 0.00 H new ATOM 1170 N ALA A 721 -11.428 4.125 5.796 1.00 0.00 N ATOM 1171 CA ALA A 721 -10.897 5.195 6.679 1.00 0.00 C ATOM 1172 C ALA A 721 -9.788 5.998 5.950 1.00 0.00 C ATOM 1173 O ALA A 721 -9.621 7.181 6.180 1.00 0.00 O ATOM 1174 CB ALA A 721 -10.336 4.442 7.890 1.00 0.00 C ATOM 0 H ALA A 721 -10.834 3.299 5.717 1.00 0.00 H new ATOM 0 HA ALA A 721 -11.656 5.923 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 721 -9.920 5.155 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 721 -11.135 3.877 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 721 -9.554 3.758 7.562 1.00 0.00 H new ATOM 1180 N MET A 722 -9.001 5.356 5.100 1.00 0.00 N ATOM 1181 CA MET A 722 -7.883 6.082 4.392 1.00 0.00 C ATOM 1182 C MET A 722 -8.263 6.510 2.971 1.00 0.00 C ATOM 1183 O MET A 722 -7.519 7.211 2.313 1.00 0.00 O ATOM 1184 CB MET A 722 -6.733 5.068 4.293 1.00 0.00 C ATOM 1185 CG MET A 722 -6.103 4.804 5.671 1.00 0.00 C ATOM 1186 SD MET A 722 -5.743 6.385 6.493 1.00 0.00 S ATOM 1187 CE MET A 722 -4.636 5.777 7.791 1.00 0.00 C ATOM 0 H MET A 722 -9.086 4.366 4.869 1.00 0.00 H new ATOM 0 HA MET A 722 -7.630 6.988 4.942 1.00 0.00 H new ATOM 0 HB2 MET A 722 -7.105 4.132 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 722 -5.972 5.443 3.608 1.00 0.00 H new ATOM 0 HG2 MET A 722 -6.781 4.211 6.284 1.00 0.00 H new ATOM 0 HG3 MET A 722 -5.186 4.225 5.558 1.00 0.00 H new ATOM 0 HE1 MET A 722 -5.113 5.900 8.763 1.00 0.00 H new ATOM 0 HE2 MET A 722 -4.423 4.721 7.623 1.00 0.00 H new ATOM 0 HE3 MET A 722 -3.705 6.343 7.769 1.00 0.00 H new ATOM 1197 N ASP A 723 -9.366 6.056 2.466 1.00 0.00 N ATOM 1198 CA ASP A 723 -9.712 6.402 1.061 1.00 0.00 C ATOM 1199 C ASP A 723 -10.634 7.622 0.930 1.00 0.00 C ATOM 1200 O ASP A 723 -11.258 7.799 -0.095 1.00 0.00 O ATOM 1201 CB ASP A 723 -10.401 5.170 0.494 1.00 0.00 C ATOM 1202 CG ASP A 723 -11.779 4.944 1.135 1.00 0.00 C ATOM 1203 OD1 ASP A 723 -12.424 5.914 1.492 1.00 0.00 O ATOM 1204 OD2 ASP A 723 -12.163 3.791 1.262 1.00 0.00 O ATOM 0 H ASP A 723 -10.040 5.466 2.955 1.00 0.00 H new ATOM 0 HA ASP A 723 -8.804 6.676 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -10.515 5.281 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -9.774 4.294 0.660 1.00 0.00 H new ATOM 1209 N GLY A 724 -10.741 8.477 1.914 1.00 0.00 N ATOM 1210 CA GLY A 724 -11.639 9.662 1.726 1.00 0.00 C ATOM 1211 C GLY A 724 -11.298 10.276 0.366 1.00 0.00 C ATOM 1212 O GLY A 724 -12.096 10.278 -0.550 1.00 0.00 O ATOM 0 H GLY A 724 -10.264 8.414 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 724 -12.686 9.361 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 724 -11.490 10.389 2.525 1.00 0.00 H new ATOM 1216 N ALA A 725 -10.099 10.762 0.223 1.00 0.00 N ATOM 1217 CA ALA A 725 -9.665 11.344 -1.082 1.00 0.00 C ATOM 1218 C ALA A 725 -8.966 10.237 -1.884 1.00 0.00 C ATOM 1219 O ALA A 725 -9.257 9.076 -1.691 1.00 0.00 O ATOM 1220 CB ALA A 725 -8.692 12.474 -0.708 1.00 0.00 C ATOM 0 H ALA A 725 -9.393 10.783 0.959 1.00 0.00 H new ATOM 0 HA ALA A 725 -10.482 11.729 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 725 -8.326 12.954 -1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 725 -9.208 13.209 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 725 -7.851 12.060 -0.152 1.00 0.00 H new ATOM 1226 N SER A 726 -8.023 10.548 -2.741 1.00 0.00 N ATOM 1227 CA SER A 726 -7.331 9.445 -3.466 1.00 0.00 C ATOM 1228 C SER A 726 -6.394 8.774 -2.463 1.00 0.00 C ATOM 1229 O SER A 726 -6.082 9.350 -1.440 1.00 0.00 O ATOM 1230 CB SER A 726 -6.552 10.129 -4.588 1.00 0.00 C ATOM 1231 OG SER A 726 -5.577 10.999 -4.025 1.00 0.00 O ATOM 0 H SER A 726 -7.711 11.493 -2.964 1.00 0.00 H new ATOM 0 HA SER A 726 -7.997 8.688 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 726 -6.068 9.382 -5.218 1.00 0.00 H new ATOM 0 HB3 SER A 726 -7.232 10.692 -5.227 1.00 0.00 H new ATOM 0 HG SER A 726 -5.075 11.437 -4.744 1.00 0.00 H new ATOM 1237 N HIS A 727 -5.934 7.582 -2.702 1.00 0.00 N ATOM 1238 CA HIS A 727 -5.026 6.982 -1.676 1.00 0.00 C ATOM 1239 C HIS A 727 -3.610 6.835 -2.218 1.00 0.00 C ATOM 1240 O HIS A 727 -3.309 5.911 -2.941 1.00 0.00 O ATOM 1241 CB HIS A 727 -5.547 5.582 -1.293 1.00 0.00 C ATOM 1242 CG HIS A 727 -6.933 5.324 -1.773 1.00 0.00 C ATOM 1243 ND1 HIS A 727 -7.241 5.322 -3.106 1.00 0.00 N ATOM 1244 CD2 HIS A 727 -8.086 4.984 -1.118 1.00 0.00 C ATOM 1245 CE1 HIS A 727 -8.530 5.003 -3.228 1.00 0.00 C ATOM 1246 NE2 HIS A 727 -9.101 4.781 -2.046 1.00 0.00 N ATOM 0 H HIS A 727 -6.132 7.012 -3.525 1.00 0.00 H new ATOM 0 HA HIS A 727 -5.009 7.642 -0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 727 -4.879 4.826 -1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 727 -5.518 5.474 -0.209 1.00 0.00 H new ATOM 0 HD1 HIS A 727 -6.598 5.528 -3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 727 -8.191 4.888 -0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 727 -9.049 4.933 -4.173 1.00 0.00 H new ATOM 1254 N ASP A 728 -2.726 7.701 -1.832 1.00 0.00 N ATOM 1255 CA ASP A 728 -1.319 7.569 -2.286 1.00 0.00 C ATOM 1256 C ASP A 728 -0.432 7.366 -1.049 1.00 0.00 C ATOM 1257 O ASP A 728 -0.568 8.061 -0.057 1.00 0.00 O ATOM 1258 CB ASP A 728 -0.998 8.876 -3.017 1.00 0.00 C ATOM 1259 CG ASP A 728 -1.789 8.922 -4.327 1.00 0.00 C ATOM 1260 OD1 ASP A 728 -2.198 7.868 -4.783 1.00 0.00 O ATOM 1261 OD2 ASP A 728 -1.982 10.009 -4.847 1.00 0.00 O ATOM 0 H ASP A 728 -2.915 8.496 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 728 -1.151 6.721 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 728 -1.256 9.730 -2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 728 0.071 8.941 -3.220 1.00 0.00 H new ATOM 1266 N PHE A 729 0.453 6.403 -1.078 1.00 0.00 N ATOM 1267 CA PHE A 729 1.310 6.145 0.114 1.00 0.00 C ATOM 1268 C PHE A 729 2.748 5.875 -0.310 1.00 0.00 C ATOM 1269 O PHE A 729 3.041 5.635 -1.463 1.00 0.00 O ATOM 1270 CB PHE A 729 0.786 4.851 0.744 1.00 0.00 C ATOM 1271 CG PHE A 729 -0.714 4.795 0.750 1.00 0.00 C ATOM 1272 CD1 PHE A 729 -1.399 4.659 -0.452 1.00 0.00 C ATOM 1273 CD2 PHE A 729 -1.411 4.806 1.957 1.00 0.00 C ATOM 1274 CE1 PHE A 729 -2.775 4.538 -0.462 1.00 0.00 C ATOM 1275 CE2 PHE A 729 -2.802 4.697 1.954 1.00 0.00 C ATOM 1276 CZ PHE A 729 -3.485 4.559 0.735 1.00 0.00 C ATOM 0 H PHE A 729 0.618 5.787 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 729 1.283 7.002 0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 729 1.178 3.995 0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 729 1.156 4.770 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 729 -0.852 4.648 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 729 -0.876 4.899 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 729 -3.300 4.427 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 729 -3.350 4.719 2.884 1.00 0.00 H new ATOM 0 HZ PHE A 729 -4.561 4.469 0.726 1.00 0.00 H new ATOM 1286 N LEU A 730 3.632 5.844 0.635 1.00 0.00 N ATOM 1287 CA LEU A 730 5.054 5.512 0.324 1.00 0.00 C ATOM 1288 C LEU A 730 5.509 4.404 1.284 1.00 0.00 C ATOM 1289 O LEU A 730 5.024 4.314 2.392 1.00 0.00 O ATOM 1290 CB LEU A 730 5.841 6.805 0.537 1.00 0.00 C ATOM 1291 CG LEU A 730 5.658 7.286 1.975 1.00 0.00 C ATOM 1292 CD1 LEU A 730 6.820 6.787 2.827 1.00 0.00 C ATOM 1293 CD2 LEU A 730 5.629 8.813 1.991 1.00 0.00 C ATOM 0 H LEU A 730 3.437 6.034 1.618 1.00 0.00 H new ATOM 0 HA LEU A 730 5.202 5.150 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 730 6.898 6.637 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 730 5.498 7.570 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 730 4.723 6.898 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 730 6.691 7.129 3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 730 6.844 5.697 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 730 7.757 7.177 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 730 5.499 9.164 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 730 6.567 9.199 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 730 4.801 9.168 1.378 1.00 0.00 H new ATOM 1305 N LEU A 731 6.389 3.524 0.868 1.00 0.00 N ATOM 1306 CA LEU A 731 6.781 2.406 1.785 1.00 0.00 C ATOM 1307 C LEU A 731 8.279 2.335 2.061 1.00 0.00 C ATOM 1308 O LEU A 731 9.103 2.499 1.185 1.00 0.00 O ATOM 1309 CB LEU A 731 6.359 1.138 1.044 1.00 0.00 C ATOM 1310 CG LEU A 731 4.970 1.305 0.430 1.00 0.00 C ATOM 1311 CD1 LEU A 731 4.496 -0.056 -0.081 1.00 0.00 C ATOM 1312 CD2 LEU A 731 3.979 1.828 1.477 1.00 0.00 C ATOM 0 H LEU A 731 6.844 3.529 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 731 6.309 2.544 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 731 7.083 0.911 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 731 6.358 0.293 1.732 1.00 0.00 H new ATOM 0 HG LEU A 731 5.021 2.023 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 731 3.505 0.046 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 731 5.193 -0.425 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 731 4.452 -0.761 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 731 2.995 1.941 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 731 3.917 1.121 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 731 4.319 2.794 1.850 1.00 0.00 H new ATOM 1324 N ARG A 732 8.619 2.023 3.285 1.00 0.00 N ATOM 1325 CA ARG A 732 10.055 1.857 3.657 1.00 0.00 C ATOM 1326 C ARG A 732 10.213 0.533 4.423 1.00 0.00 C ATOM 1327 O ARG A 732 9.734 0.402 5.531 1.00 0.00 O ATOM 1328 CB ARG A 732 10.391 3.024 4.593 1.00 0.00 C ATOM 1329 CG ARG A 732 10.148 4.363 3.894 1.00 0.00 C ATOM 1330 CD ARG A 732 10.261 5.494 4.925 1.00 0.00 C ATOM 1331 NE ARG A 732 11.579 6.136 4.658 1.00 0.00 N ATOM 1332 CZ ARG A 732 11.676 7.068 3.748 1.00 0.00 C ATOM 1333 NH1 ARG A 732 10.654 7.346 2.985 1.00 0.00 N ATOM 1334 NH2 ARG A 732 12.799 7.719 3.591 1.00 0.00 N ATOM 0 H ARG A 732 7.958 1.875 4.048 1.00 0.00 H new ATOM 0 HA ARG A 732 10.706 1.845 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 732 9.780 2.962 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 732 11.432 2.956 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 732 10.875 4.508 3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 732 9.161 4.372 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 732 9.445 6.209 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 732 10.211 5.106 5.942 1.00 0.00 H new ATOM 0 HE ARG A 732 12.404 5.848 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 732 9.778 6.835 3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 732 10.731 8.074 2.275 1.00 0.00 H new ATOM 0 HH21 ARG A 732 13.602 7.500 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 732 12.872 8.446 2.880 1.00 0.00 H new ATOM 1348 N GLN A 733 10.859 -0.453 3.858 1.00 0.00 N ATOM 1349 CA GLN A 733 11.003 -1.749 4.607 1.00 0.00 C ATOM 1350 C GLN A 733 12.099 -1.689 5.645 1.00 0.00 C ATOM 1351 O GLN A 733 13.267 -1.555 5.348 1.00 0.00 O ATOM 1352 CB GLN A 733 11.324 -2.837 3.579 1.00 0.00 C ATOM 1353 CG GLN A 733 10.152 -3.030 2.613 1.00 0.00 C ATOM 1354 CD GLN A 733 10.378 -4.279 1.760 1.00 0.00 C ATOM 1355 OE1 GLN A 733 11.520 -4.903 1.807 1.00 0.00 O flip ATOM 1356 NE2 GLN A 733 9.497 -4.700 1.039 1.00 0.00 N flip ATOM 0 H GLN A 733 11.286 -0.426 2.932 1.00 0.00 H new ATOM 0 HA GLN A 733 10.076 -1.960 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 733 12.220 -2.565 3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 733 11.539 -3.775 4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 733 9.221 -3.125 3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 733 10.051 -2.155 1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 733 8.599 -4.218 0.996 1.00 0.00 H new ATOM 0 HE22 GLN A 733 9.654 -5.536 0.476 1.00 0.00 H new ATOM 1365 N ARG A 734 11.707 -1.834 6.876 1.00 0.00 N ATOM 1366 CA ARG A 734 12.695 -1.840 7.976 1.00 0.00 C ATOM 1367 C ARG A 734 13.539 -3.111 7.871 1.00 0.00 C ATOM 1368 O ARG A 734 14.737 -3.089 8.055 1.00 0.00 O ATOM 1369 CB ARG A 734 11.857 -1.839 9.255 1.00 0.00 C ATOM 1370 CG ARG A 734 12.768 -1.630 10.465 1.00 0.00 C ATOM 1371 CD ARG A 734 11.932 -1.690 11.745 1.00 0.00 C ATOM 1372 NE ARG A 734 11.227 -3.001 11.687 1.00 0.00 N ATOM 1373 CZ ARG A 734 9.982 -3.083 12.061 1.00 0.00 C ATOM 1374 NH1 ARG A 734 9.623 -2.612 13.226 1.00 0.00 N ATOM 1375 NH2 ARG A 734 9.096 -3.622 11.265 1.00 0.00 N ATOM 0 H ARG A 734 10.736 -1.949 7.166 1.00 0.00 H new ATOM 0 HA ARG A 734 13.378 -0.991 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 734 11.108 -1.049 9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 734 11.320 -2.782 9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 734 13.543 -2.396 10.487 1.00 0.00 H new ATOM 0 HG3 ARG A 734 13.273 -0.667 10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 734 12.563 -1.620 12.631 1.00 0.00 H new ATOM 0 HD3 ARG A 734 11.223 -0.863 11.792 1.00 0.00 H new ATOM 0 HE ARG A 734 11.718 -3.832 11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 734 10.317 -2.182 13.838 1.00 0.00 H new ATOM 0 HH12 ARG A 734 8.649 -2.674 13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 734 9.380 -3.978 10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 734 8.121 -3.687 11.557 1.00 0.00 H new ATOM 1389 N ARG A 735 12.914 -4.226 7.566 1.00 0.00 N ATOM 1390 CA ARG A 735 13.682 -5.501 7.441 1.00 0.00 C ATOM 1391 C ARG A 735 13.900 -5.846 5.963 1.00 0.00 C ATOM 1392 O ARG A 735 15.016 -5.691 5.493 1.00 0.00 O ATOM 1393 CB ARG A 735 12.809 -6.565 8.107 1.00 0.00 C ATOM 1394 CG ARG A 735 12.614 -6.230 9.589 1.00 0.00 C ATOM 1395 CD ARG A 735 11.925 -7.410 10.285 1.00 0.00 C ATOM 1396 NE ARG A 735 12.001 -7.109 11.742 1.00 0.00 N ATOM 1397 CZ ARG A 735 11.128 -6.312 12.295 1.00 0.00 C ATOM 1398 NH1 ARG A 735 9.895 -6.284 11.863 1.00 0.00 N ATOM 1399 NH2 ARG A 735 11.486 -5.534 13.279 1.00 0.00 N ATOM 1400 OXT ARG A 735 12.946 -6.267 5.327 1.00 0.00 O ATOM 0 H ARG A 735 11.911 -4.305 7.400 1.00 0.00 H new ATOM 0 HA ARG A 735 14.666 -5.431 7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 735 11.842 -6.618 7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 735 13.275 -7.545 8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 735 13.577 -6.027 10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 735 12.012 -5.328 9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 735 10.890 -7.509 9.958 1.00 0.00 H new ATOM 0 HD3 ARG A 735 12.425 -8.350 10.051 1.00 0.00 H new ATOM 0 HE ARG A 735 12.738 -7.527 12.309 1.00 0.00 H new ATOM 0 HH11 ARG A 735 9.611 -6.887 11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 735 9.216 -5.659 12.298 1.00 0.00 H new ATOM 0 HH21 ARG A 735 12.448 -5.548 13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 735 10.803 -4.911 13.711 1.00 0.00 H new