USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=17 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 139:sc= -3.75 (180deg=-2.19!) USER MOD Set 1.2: A 714 MET CE :methyl -158:sc= -7.95! (180deg=-7.31!) USER MOD Set 2.1: A 675 CYS SG : rot -40:sc= -1.37 USER MOD Set 2.2: A 710 MET CE :methyl -179:sc= -0.309 (180deg=-0.0465) USER MOD Set 3.1: A 680 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 684 LYS NZ :NH3+ -167:sc= -0.0033 (180deg=-0.302) USER MOD Single : A 652 CYS SG : rot 180:sc= 0 USER MOD Single : A 653 GLN : amide:sc= -0.0574 K(o=-0.057,f=-1.4!) USER MOD Single : A 658 ASN :FLIP amide:sc= -0.929 F(o=-2.1!,f=-0.93) 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 158:sc= -1.47 (180deg=-1.79!) USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 673 ASN :FLIP amide:sc= -0.885 F(o=-4.2!,f=-0.88) USER MOD Single : A 677 HIS :FLIP no HD1:sc= -1.18 F(o=-2.5!,f=-1.2) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -1.49 USER MOD Single : A 697 LYS NZ :NH3+ 155:sc= 0.206 (180deg=0.00674) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 708 CYS SG : rot -19:sc= -0.044 USER MOD Single : A 712 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.9!) USER MOD Single : A 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 717 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 8.946 -3.129 7.392 1.00 0.00 N ATOM 77 CA CYS A 652 7.587 -3.528 7.745 1.00 0.00 C ATOM 78 C CYS A 652 6.597 -3.089 6.671 1.00 0.00 C ATOM 79 O CYS A 652 5.490 -3.619 6.582 1.00 0.00 O ATOM 80 CB CYS A 652 7.193 -2.929 9.095 1.00 0.00 C ATOM 81 SG CYS A 652 7.901 -3.789 10.519 1.00 0.00 S ATOM 0 HA CYS A 652 7.559 -4.615 7.817 1.00 0.00 H new ATOM 0 HB2 CYS A 652 7.506 -1.885 9.122 1.00 0.00 H new ATOM 0 HB3 CYS A 652 6.106 -2.939 9.182 1.00 0.00 H new ATOM 0 HG CYS A 652 7.512 -3.207 11.615 1.00 0.00 H new ATOM 87 N GLN A 653 7.002 -2.117 5.860 1.00 0.00 N ATOM 88 CA GLN A 653 6.148 -1.606 4.795 1.00 0.00 C ATOM 89 C GLN A 653 6.615 -2.113 3.433 1.00 0.00 C ATOM 90 O GLN A 653 7.809 -2.315 3.212 1.00 0.00 O ATOM 91 CB GLN A 653 6.141 -0.077 4.808 1.00 0.00 C ATOM 92 CG GLN A 653 5.267 0.537 3.726 1.00 0.00 C ATOM 93 CD GLN A 653 4.895 1.976 4.022 1.00 0.00 C ATOM 94 OE1 GLN A 653 4.763 2.369 5.182 1.00 0.00 O ATOM 95 NE2 GLN A 653 4.723 2.772 2.973 1.00 0.00 N ATOM 0 H GLN A 653 7.916 -1.668 5.920 1.00 0.00 H new ATOM 0 HA GLN A 653 5.135 -1.968 4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.795 0.268 5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.162 0.284 4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 653 5.791 0.490 2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.358 -0.055 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 653 4.842 2.405 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.471 3.751 3.111 1.00 0.00 H new ATOM 104 N ILE A 654 5.665 -2.316 2.526 1.00 0.00 N ATOM 105 CA ILE A 654 5.980 -2.798 1.187 1.00 0.00 C ATOM 106 C ILE A 654 5.212 -2.015 0.127 1.00 0.00 C ATOM 107 O ILE A 654 4.332 -1.215 0.446 1.00 0.00 O ATOM 108 CB ILE A 654 5.656 -4.296 1.038 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.156 -4.536 1.221 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.455 -5.113 2.041 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.705 -5.911 0.777 1.00 0.00 C ATOM 0 H ILE A 654 4.672 -2.154 2.694 1.00 0.00 H new ATOM 0 HA ILE A 654 7.050 -2.650 1.041 1.00 0.00 H new ATOM 0 HB ILE A 654 5.936 -4.615 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.900 -4.400 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.604 -3.782 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.215 -6.170 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.520 -4.961 1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.203 -4.794 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.631 -6.011 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.929 -6.043 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.229 -6.671 1.357 1.00 0.00 H new ATOM 123 N PHE A 655 5.551 -2.251 -1.136 1.00 0.00 N ATOM 124 CA PHE A 655 4.893 -1.569 -2.244 1.00 0.00 C ATOM 125 C PHE A 655 4.258 -2.574 -3.201 1.00 0.00 C ATOM 126 O PHE A 655 4.638 -3.744 -3.233 1.00 0.00 O ATOM 127 CB PHE A 655 5.896 -0.693 -2.999 1.00 0.00 C ATOM 128 CG PHE A 655 5.260 0.462 -3.718 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.754 1.541 -3.012 1.00 0.00 C ATOM 130 CD2 PHE A 655 5.169 0.469 -5.101 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.169 2.606 -3.670 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.585 1.531 -5.765 1.00 0.00 C ATOM 133 CZ PHE A 655 4.083 2.600 -5.049 1.00 0.00 C ATOM 0 H PHE A 655 6.277 -2.909 -1.418 1.00 0.00 H new ATOM 0 HA PHE A 655 4.106 -0.937 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.634 -0.310 -2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.433 -1.309 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 655 4.817 1.550 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.559 -0.365 -5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.780 3.442 -3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.521 1.525 -6.843 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.624 3.430 -5.566 1.00 0.00 H new ATOM 143 N VAL A 656 3.286 -2.108 -3.980 1.00 0.00 N ATOM 144 CA VAL A 656 2.597 -2.964 -4.938 1.00 0.00 C ATOM 145 C VAL A 656 2.172 -2.176 -6.172 1.00 0.00 C ATOM 146 O VAL A 656 1.825 -0.998 -6.080 1.00 0.00 O ATOM 147 CB VAL A 656 1.355 -3.623 -4.310 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.857 -4.764 -5.183 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.666 -4.113 -2.904 1.00 0.00 C ATOM 0 H VAL A 656 2.958 -1.142 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 656 3.302 -3.742 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 656 0.563 -2.877 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.021 -5.218 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.593 -4.380 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.642 -5.514 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.777 -4.576 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.473 -4.845 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.971 -3.270 -2.284 1.00 0.00 H new ATOM 159 N ARG A 657 2.201 -2.834 -7.326 1.00 0.00 N ATOM 160 CA ARG A 657 1.819 -2.195 -8.580 1.00 0.00 C ATOM 161 C ARG A 657 1.094 -3.179 -9.493 1.00 0.00 C ATOM 162 O ARG A 657 1.194 -4.393 -9.317 1.00 0.00 O ATOM 163 CB ARG A 657 3.055 -1.639 -9.291 1.00 0.00 C ATOM 164 CG ARG A 657 3.640 -0.407 -8.620 1.00 0.00 C ATOM 165 CD ARG A 657 5.064 -0.143 -9.084 1.00 0.00 C ATOM 166 NE ARG A 657 5.108 0.365 -10.453 1.00 0.00 N ATOM 167 CZ ARG A 657 6.197 0.885 -11.008 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.325 0.964 -10.317 1.00 0.00 N ATOM 169 NH2 ARG A 657 6.159 1.327 -12.259 1.00 0.00 N ATOM 0 H ARG A 657 2.485 -3.809 -7.419 1.00 0.00 H new ATOM 0 HA ARG A 657 1.141 -1.374 -8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.819 -2.416 -9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.792 -1.392 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.017 0.460 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 657 3.627 -0.540 -7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.536 0.577 -8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 657 5.643 -1.064 -9.020 1.00 0.00 H new ATOM 0 HE ARG A 657 4.257 0.318 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 657 7.359 0.625 -9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 657 8.159 1.364 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 657 5.293 1.267 -12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 657 6.996 1.726 -12.684 1.00 0.00 H new ATOM 183 N ASN A 658 0.363 -2.646 -10.467 1.00 0.00 N ATOM 184 CA ASN A 658 -0.380 -3.478 -11.407 1.00 0.00 C ATOM 185 C ASN A 658 -1.554 -4.164 -10.716 1.00 0.00 C ATOM 186 O ASN A 658 -1.759 -5.369 -10.865 1.00 0.00 O ATOM 187 CB ASN A 658 0.542 -4.527 -12.032 1.00 0.00 C ATOM 188 CG ASN A 658 0.118 -4.906 -13.438 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.577 -6.030 -13.563 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.411 -4.195 -14.399 1.00 0.00 N flip ATOM 0 H ASN A 658 0.269 -1.643 -10.626 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.771 -2.833 -12.194 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.562 -4.143 -12.054 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.551 -5.419 -11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 658 0.947 -3.339 -14.256 1.00 0.00 H new ATOM 0 HD22 ASN A 658 0.118 -4.462 -15.339 1.00 0.00 H new ATOM 197 N LEU A 659 -2.323 -3.389 -9.959 1.00 0.00 N ATOM 198 CA LEU A 659 -3.478 -3.921 -9.244 1.00 0.00 C ATOM 199 C LEU A 659 -4.773 -3.588 -9.978 1.00 0.00 C ATOM 200 O LEU A 659 -4.923 -2.519 -10.569 1.00 0.00 O ATOM 201 CB LEU A 659 -3.526 -3.359 -7.822 1.00 0.00 C ATOM 202 CG LEU A 659 -2.392 -3.790 -6.891 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.316 -2.873 -5.681 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.579 -5.236 -6.456 1.00 0.00 C ATOM 0 H LEU A 659 -2.168 -2.390 -9.824 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.377 -5.005 -9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.525 -2.271 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.473 -3.652 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.452 -3.715 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.503 -3.196 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -2.133 -1.850 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.257 -2.915 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -1.763 -5.525 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.527 -5.337 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.581 -5.883 -7.334 1.00 0.00 H new ATOM 216 N PRO A 660 -5.733 -4.524 -9.939 1.00 0.00 N ATOM 217 CA PRO A 660 -7.033 -4.353 -10.594 1.00 0.00 C ATOM 218 C PRO A 660 -7.666 -3.001 -10.280 1.00 0.00 C ATOM 219 O PRO A 660 -7.699 -2.573 -9.126 1.00 0.00 O ATOM 220 CB PRO A 660 -7.877 -5.487 -10.008 1.00 0.00 C ATOM 221 CG PRO A 660 -6.890 -6.532 -9.619 1.00 0.00 C ATOM 222 CD PRO A 660 -5.622 -5.823 -9.254 1.00 0.00 C ATOM 0 HA PRO A 660 -6.950 -4.383 -11.680 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.454 -5.147 -9.148 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.590 -5.868 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.260 -7.118 -8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.720 -7.227 -10.441 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.530 -5.699 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.744 -6.377 -9.587 1.00 0.00 H new ATOM 230 N PHE A 661 -8.168 -2.333 -11.313 1.00 0.00 N ATOM 231 CA PHE A 661 -8.799 -1.030 -11.147 1.00 0.00 C ATOM 232 C PHE A 661 -9.802 -1.054 -9.997 1.00 0.00 C ATOM 233 O PHE A 661 -9.879 -0.113 -9.207 1.00 0.00 O ATOM 234 CB PHE A 661 -9.500 -0.610 -12.441 1.00 0.00 C ATOM 235 CG PHE A 661 -9.595 0.878 -12.616 1.00 0.00 C ATOM 236 CD1 PHE A 661 -8.454 1.664 -12.619 1.00 0.00 C ATOM 237 CD2 PHE A 661 -10.827 1.493 -12.776 1.00 0.00 C ATOM 238 CE1 PHE A 661 -8.538 3.034 -12.780 1.00 0.00 C ATOM 239 CE2 PHE A 661 -10.918 2.862 -12.938 1.00 0.00 C ATOM 240 CZ PHE A 661 -9.772 3.634 -12.938 1.00 0.00 C ATOM 0 H PHE A 661 -8.150 -2.673 -12.274 1.00 0.00 H new ATOM 0 HA PHE A 661 -8.020 -0.305 -10.912 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -8.963 -1.034 -13.290 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.504 -1.034 -12.455 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.487 1.200 -12.494 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -11.726 0.895 -12.774 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -7.640 3.634 -12.782 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -11.884 3.328 -13.065 1.00 0.00 H new ATOM 0 HZ PHE A 661 -9.841 4.705 -13.061 1.00 0.00 H new ATOM 250 N ASP A 662 -10.569 -2.135 -9.912 1.00 0.00 N ATOM 251 CA ASP A 662 -11.567 -2.283 -8.859 1.00 0.00 C ATOM 252 C ASP A 662 -10.901 -2.545 -7.511 1.00 0.00 C ATOM 253 O ASP A 662 -11.430 -2.174 -6.463 1.00 0.00 O ATOM 254 CB ASP A 662 -12.530 -3.423 -9.196 1.00 0.00 C ATOM 255 CG ASP A 662 -11.823 -4.758 -9.328 1.00 0.00 C ATOM 256 OD1 ASP A 662 -10.755 -4.802 -9.975 1.00 0.00 O ATOM 257 OD2 ASP A 662 -12.337 -5.758 -8.787 1.00 0.00 O ATOM 0 H ASP A 662 -10.519 -2.922 -10.559 1.00 0.00 H new ATOM 0 HA ASP A 662 -12.128 -1.351 -8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -13.291 -3.493 -8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -13.046 -3.195 -10.128 1.00 0.00 H new ATOM 262 N PHE A 663 -9.738 -3.187 -7.547 1.00 0.00 N ATOM 263 CA PHE A 663 -9.001 -3.501 -6.328 1.00 0.00 C ATOM 264 C PHE A 663 -9.092 -2.353 -5.327 1.00 0.00 C ATOM 265 O PHE A 663 -8.615 -1.248 -5.585 1.00 0.00 O ATOM 266 CB PHE A 663 -7.534 -3.792 -6.655 1.00 0.00 C ATOM 267 CG PHE A 663 -6.892 -4.768 -5.711 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.322 -6.084 -5.657 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.859 -4.370 -4.879 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.734 -6.984 -4.789 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.266 -5.266 -4.009 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.703 -6.575 -3.965 1.00 0.00 C ATOM 0 H PHE A 663 -9.286 -3.500 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.449 -4.388 -5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.467 -4.183 -7.670 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.973 -2.857 -6.636 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.126 -6.410 -6.301 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.513 -3.348 -4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.080 -8.006 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.462 -4.942 -3.365 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.240 -7.278 -3.288 1.00 0.00 H new ATOM 282 N THR A 664 -9.711 -2.623 -4.181 1.00 0.00 N ATOM 283 CA THR A 664 -9.867 -1.615 -3.141 1.00 0.00 C ATOM 284 C THR A 664 -8.851 -1.816 -2.022 1.00 0.00 C ATOM 285 O THR A 664 -8.045 -2.746 -2.064 1.00 0.00 O ATOM 286 CB THR A 664 -11.286 -1.642 -2.541 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.602 -2.963 -2.090 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.315 -1.191 -3.567 1.00 0.00 C ATOM 0 H THR A 664 -10.112 -3.532 -3.951 1.00 0.00 H new ATOM 0 HA THR A 664 -9.697 -0.647 -3.612 1.00 0.00 H new ATOM 0 HB THR A 664 -11.313 -0.954 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.505 -2.971 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.309 -1.218 -3.121 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.088 -0.174 -3.887 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.286 -1.857 -4.429 1.00 0.00 H new ATOM 296 N TRP A 665 -8.896 -0.941 -1.024 1.00 0.00 N ATOM 297 CA TRP A 665 -7.979 -1.024 0.107 1.00 0.00 C ATOM 298 C TRP A 665 -8.285 -2.245 0.967 1.00 0.00 C ATOM 299 O TRP A 665 -7.385 -3.001 1.333 1.00 0.00 O ATOM 300 CB TRP A 665 -8.064 0.247 0.953 1.00 0.00 C ATOM 301 CG TRP A 665 -9.188 0.225 1.945 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.372 0.900 1.858 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.231 -0.507 3.175 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.148 0.631 2.959 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.472 -0.229 3.782 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.343 -1.371 3.822 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.843 -0.785 5.003 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.714 -1.921 5.034 1.00 0.00 C ATOM 309 CH2 TRP A 665 -9.955 -1.627 5.614 1.00 0.00 C ATOM 0 H TRP A 665 -9.557 -0.166 -0.975 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.966 -1.124 -0.284 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.122 0.385 1.484 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.187 1.106 0.294 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.656 1.550 1.043 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.078 1.011 3.135 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.384 -1.604 3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.799 -0.559 5.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.035 -2.589 5.543 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.216 -2.074 6.562 1.00 0.00 H new ATOM 320 N LYS A 666 -9.561 -2.432 1.288 1.00 0.00 N ATOM 321 CA LYS A 666 -9.987 -3.563 2.105 1.00 0.00 C ATOM 322 C LYS A 666 -9.424 -4.871 1.559 1.00 0.00 C ATOM 323 O LYS A 666 -8.909 -5.698 2.312 1.00 0.00 O ATOM 324 CB LYS A 666 -11.514 -3.634 2.156 1.00 0.00 C ATOM 325 CG LYS A 666 -12.042 -4.813 2.956 1.00 0.00 C ATOM 326 CD LYS A 666 -12.023 -4.527 4.448 1.00 0.00 C ATOM 327 CE LYS A 666 -10.699 -4.933 5.077 1.00 0.00 C ATOM 328 NZ LYS A 666 -10.860 -5.326 6.505 1.00 0.00 N ATOM 0 H LYS A 666 -10.318 -1.815 0.995 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.602 -3.416 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.898 -2.711 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.901 -3.694 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.060 -5.041 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.438 -5.696 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -12.197 -3.464 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -12.837 -5.065 4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -10.271 -5.765 4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -9.994 -4.105 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -9.935 -5.596 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -11.244 -4.524 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -11.513 -6.133 6.572 1.00 0.00 H new ATOM 342 N MET A 667 -9.523 -5.051 0.246 1.00 0.00 N ATOM 343 CA MET A 667 -9.021 -6.258 -0.400 1.00 0.00 C ATOM 344 C MET A 667 -7.502 -6.340 -0.293 1.00 0.00 C ATOM 345 O MET A 667 -6.954 -7.347 0.158 1.00 0.00 O ATOM 346 CB MET A 667 -9.443 -6.289 -1.870 1.00 0.00 C ATOM 347 CG MET A 667 -10.842 -6.842 -2.089 1.00 0.00 C ATOM 348 SD MET A 667 -11.030 -7.638 -3.696 1.00 0.00 S ATOM 349 CE MET A 667 -10.901 -6.225 -4.790 1.00 0.00 C ATOM 0 H MET A 667 -9.946 -4.376 -0.391 1.00 0.00 H new ATOM 0 HA MET A 667 -9.451 -7.119 0.112 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.393 -5.278 -2.275 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.730 -6.893 -2.431 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.072 -7.561 -1.303 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.566 -6.032 -2.002 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.608 -6.561 -5.785 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.865 -5.720 -4.847 1.00 0.00 H new ATOM 0 HE3 MET A 667 -10.151 -5.534 -4.405 1.00 0.00 H new ATOM 359 N LEU A 668 -6.826 -5.275 -0.709 1.00 0.00 N ATOM 360 CA LEU A 668 -5.369 -5.227 -0.661 1.00 0.00 C ATOM 361 C LEU A 668 -4.852 -5.714 0.690 1.00 0.00 C ATOM 362 O LEU A 668 -3.933 -6.530 0.757 1.00 0.00 O ATOM 363 CB LEU A 668 -4.877 -3.802 -0.923 1.00 0.00 C ATOM 364 CG LEU A 668 -3.415 -3.522 -0.575 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.489 -4.191 -1.579 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.156 -2.023 -0.524 1.00 0.00 C ATOM 0 H LEU A 668 -7.263 -4.433 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 668 -4.983 -5.887 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.028 -3.575 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.503 -3.113 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.210 -3.940 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.453 -3.980 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.655 -5.268 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.695 -3.805 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.110 -1.843 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.379 -1.582 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.793 -1.569 0.235 1.00 0.00 H new ATOM 378 N LYS A 669 -5.452 -5.210 1.763 1.00 0.00 N ATOM 379 CA LYS A 669 -5.056 -5.596 3.113 1.00 0.00 C ATOM 380 C LYS A 669 -5.306 -7.082 3.349 1.00 0.00 C ATOM 381 O LYS A 669 -4.368 -7.877 3.408 1.00 0.00 O ATOM 382 CB LYS A 669 -5.822 -4.768 4.147 1.00 0.00 C ATOM 383 CG LYS A 669 -5.760 -5.342 5.552 1.00 0.00 C ATOM 384 CD LYS A 669 -6.491 -4.457 6.548 1.00 0.00 C ATOM 385 CE LYS A 669 -5.951 -4.642 7.958 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.234 -3.460 8.819 1.00 0.00 N ATOM 0 H LYS A 669 -6.214 -4.533 1.724 1.00 0.00 H new ATOM 0 HA LYS A 669 -3.989 -5.404 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.420 -3.755 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -6.865 -4.693 3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.200 -6.339 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -4.719 -5.451 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.389 -3.413 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.556 -4.691 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -6.396 -5.531 8.404 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -4.875 -4.811 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -5.850 -3.625 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -5.788 -2.616 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -7.262 -3.313 8.880 1.00 0.00 H new ATOM 400 N ASP A 670 -6.576 -7.450 3.483 1.00 0.00 N ATOM 401 CA ASP A 670 -6.949 -8.841 3.710 1.00 0.00 C ATOM 402 C ASP A 670 -6.183 -9.769 2.772 1.00 0.00 C ATOM 403 O ASP A 670 -5.962 -10.940 3.083 1.00 0.00 O ATOM 404 CB ASP A 670 -8.454 -9.026 3.514 1.00 0.00 C ATOM 405 CG ASP A 670 -8.833 -10.474 3.270 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.439 -11.335 4.084 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.524 -10.745 2.267 1.00 0.00 O ATOM 0 H ASP A 670 -7.364 -6.804 3.438 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.690 -9.098 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -8.980 -8.660 4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.785 -8.420 2.671 1.00 0.00 H new ATOM 412 N LYS A 671 -5.782 -9.239 1.621 1.00 0.00 N ATOM 413 CA LYS A 671 -5.041 -10.019 0.637 1.00 0.00 C ATOM 414 C LYS A 671 -3.652 -10.373 1.157 1.00 0.00 C ATOM 415 O LYS A 671 -3.178 -11.495 0.978 1.00 0.00 O ATOM 416 CB LYS A 671 -4.923 -9.241 -0.676 1.00 0.00 C ATOM 417 CG LYS A 671 -4.322 -10.052 -1.811 1.00 0.00 C ATOM 418 CD LYS A 671 -5.336 -11.015 -2.406 1.00 0.00 C ATOM 419 CE LYS A 671 -4.653 -12.154 -3.148 1.00 0.00 C ATOM 420 NZ LYS A 671 -5.462 -13.403 -3.111 1.00 0.00 N ATOM 0 H LYS A 671 -5.958 -8.272 1.347 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.588 -10.944 0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -5.913 -8.894 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.311 -8.355 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -3.959 -9.379 -2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.461 -10.610 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -5.964 -11.421 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -5.994 -10.477 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -4.483 -11.862 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -3.675 -12.341 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -4.963 -14.155 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -5.603 -13.696 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -6.386 -13.232 -3.557 1.00 0.00 H new ATOM 434 N PHE A 672 -3.003 -9.409 1.802 1.00 0.00 N ATOM 435 CA PHE A 672 -1.668 -9.620 2.349 1.00 0.00 C ATOM 436 C PHE A 672 -1.742 -10.224 3.748 1.00 0.00 C ATOM 437 O PHE A 672 -0.769 -10.792 4.243 1.00 0.00 O ATOM 438 CB PHE A 672 -0.897 -8.299 2.392 1.00 0.00 C ATOM 439 CG PHE A 672 -0.185 -7.978 1.109 1.00 0.00 C ATOM 440 CD1 PHE A 672 -0.865 -7.400 0.050 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.165 -8.254 0.963 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.212 -7.105 -1.132 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.824 -7.961 -0.216 1.00 0.00 C ATOM 444 CZ PHE A 672 1.134 -7.384 -1.265 1.00 0.00 C ATOM 0 H PHE A 672 -3.380 -8.474 1.959 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.143 -10.319 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.590 -7.491 2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.169 -8.339 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -1.917 -7.177 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.709 -8.704 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -0.754 -6.656 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.876 -8.183 -0.317 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.646 -7.152 -2.187 1.00 0.00 H new ATOM 454 N ASN A 673 -2.904 -10.097 4.381 1.00 0.00 N ATOM 455 CA ASN A 673 -3.106 -10.629 5.723 1.00 0.00 C ATOM 456 C ASN A 673 -2.662 -12.086 5.803 1.00 0.00 C ATOM 457 O ASN A 673 -2.144 -12.532 6.827 1.00 0.00 O ATOM 458 CB ASN A 673 -4.577 -10.510 6.126 1.00 0.00 C ATOM 459 CG ASN A 673 -4.885 -9.192 6.811 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.662 -8.091 6.103 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.317 -9.165 7.963 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.720 -9.630 3.985 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.499 -10.044 6.414 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.203 -10.610 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -4.836 -11.332 6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -5.473 -10.036 8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -5.519 -8.271 8.411 1.00 0.00 H new ATOM 468 N GLU A 674 -2.868 -12.823 4.716 1.00 0.00 N ATOM 469 CA GLU A 674 -2.488 -14.230 4.664 1.00 0.00 C ATOM 470 C GLU A 674 -1.134 -14.453 5.331 1.00 0.00 C ATOM 471 O GLU A 674 -0.946 -15.421 6.069 1.00 0.00 O ATOM 472 CB GLU A 674 -2.441 -14.715 3.213 1.00 0.00 C ATOM 473 CG GLU A 674 -3.782 -15.199 2.689 1.00 0.00 C ATOM 474 CD GLU A 674 -4.250 -16.471 3.370 1.00 0.00 C ATOM 475 OE1 GLU A 674 -4.880 -16.372 4.444 1.00 0.00 O ATOM 476 OE2 GLU A 674 -3.986 -17.564 2.828 1.00 0.00 O ATOM 0 H GLU A 674 -3.296 -12.469 3.860 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.239 -14.803 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -2.084 -13.903 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -1.716 -15.525 3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.528 -14.418 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -3.707 -15.372 1.615 1.00 0.00 H new ATOM 483 N CYS A 675 -0.195 -13.553 5.065 1.00 0.00 N ATOM 484 CA CYS A 675 1.143 -13.651 5.638 1.00 0.00 C ATOM 485 C CYS A 675 1.116 -13.364 7.135 1.00 0.00 C ATOM 486 O CYS A 675 1.405 -14.238 7.951 1.00 0.00 O ATOM 487 CB CYS A 675 2.094 -12.679 4.937 1.00 0.00 C ATOM 488 SG CYS A 675 3.844 -13.086 5.135 1.00 0.00 S ATOM 0 H CYS A 675 -0.335 -12.747 4.456 1.00 0.00 H new ATOM 0 HA CYS A 675 1.501 -14.670 5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.855 -12.657 3.874 1.00 0.00 H new ATOM 0 HB3 CYS A 675 1.920 -11.675 5.323 1.00 0.00 H new ATOM 0 HG CYS A 675 4.061 -13.488 6.352 1.00 0.00 H new ATOM 494 N GLY A 676 0.768 -12.130 7.490 1.00 0.00 N ATOM 495 CA GLY A 676 0.711 -11.749 8.889 1.00 0.00 C ATOM 496 C GLY A 676 -0.447 -10.817 9.189 1.00 0.00 C ATOM 497 O GLY A 676 -1.479 -10.862 8.519 1.00 0.00 O ATOM 0 H GLY A 676 0.525 -11.388 6.834 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.621 -12.645 9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.646 -11.264 9.169 1.00 0.00 H new ATOM 501 N HIS A 677 -0.277 -9.972 10.201 1.00 0.00 N ATOM 502 CA HIS A 677 -1.317 -9.026 10.589 1.00 0.00 C ATOM 503 C HIS A 677 -1.041 -7.644 10.004 1.00 0.00 C ATOM 504 O HIS A 677 -0.212 -6.894 10.520 1.00 0.00 O ATOM 505 CB HIS A 677 -1.412 -8.937 12.113 1.00 0.00 C ATOM 506 CG HIS A 677 -2.426 -7.945 12.593 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.577 -6.629 12.316 1.00 0.00 N flip ATOM 508 CD2 HIS A 677 -3.440 -8.270 13.470 1.00 0.00 C flip ATOM 509 CE1 HIS A 677 -3.669 -6.187 13.021 1.00 0.00 C flip ATOM 510 NE2 HIS A 677 -4.172 -7.197 13.709 1.00 0.00 N flip ATOM 0 H HIS A 677 0.570 -9.923 10.767 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.267 -9.386 10.193 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.661 -9.921 12.511 1.00 0.00 H new ATOM 0 HB3 HIS A 677 -0.435 -8.669 12.515 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -3.609 -9.249 13.895 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.054 -5.178 13.014 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -4.987 -7.155 14.321 1.00 0.00 H new ATOM 519 N VAL A 678 -1.740 -7.314 8.923 1.00 0.00 N ATOM 520 CA VAL A 678 -1.571 -6.022 8.268 1.00 0.00 C ATOM 521 C VAL A 678 -2.227 -4.907 9.074 1.00 0.00 C ATOM 522 O VAL A 678 -3.301 -5.090 9.648 1.00 0.00 O ATOM 523 CB VAL A 678 -2.165 -6.032 6.847 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.122 -4.638 6.241 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.426 -7.028 5.967 1.00 0.00 C ATOM 0 H VAL A 678 -2.429 -7.923 8.482 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.499 -5.837 8.204 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.208 -6.343 6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.546 -4.664 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.701 -3.954 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.089 -4.295 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -1.859 -7.021 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.373 -6.751 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.515 -8.027 6.394 1.00 0.00 H new ATOM 535 N LEU A 679 -1.575 -3.750 9.112 1.00 0.00 N ATOM 536 CA LEU A 679 -2.095 -2.603 9.848 1.00 0.00 C ATOM 537 C LEU A 679 -2.458 -1.466 8.898 1.00 0.00 C ATOM 538 O LEU A 679 -3.608 -1.029 8.847 1.00 0.00 O ATOM 539 CB LEU A 679 -1.065 -2.119 10.870 1.00 0.00 C ATOM 540 CG LEU A 679 -0.491 -3.187 11.802 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.807 -2.704 12.431 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.502 -3.556 12.877 1.00 0.00 C ATOM 0 H LEU A 679 -0.686 -3.581 8.642 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.998 -2.917 10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.239 -1.654 10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.526 -1.342 11.480 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.276 -4.079 11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.201 -3.477 13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.534 -2.491 11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.617 -1.798 13.006 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -1.076 -4.317 13.531 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.749 -2.671 13.463 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.406 -3.945 12.408 1.00 0.00 H new ATOM 554 N TYR A 680 -1.471 -0.993 8.145 1.00 0.00 N ATOM 555 CA TYR A 680 -1.687 0.093 7.196 1.00 0.00 C ATOM 556 C TYR A 680 -1.892 -0.450 5.784 1.00 0.00 C ATOM 557 O TYR A 680 -1.071 -1.212 5.275 1.00 0.00 O ATOM 558 CB TYR A 680 -0.501 1.059 7.216 1.00 0.00 C ATOM 559 CG TYR A 680 -0.512 2.055 6.079 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.674 2.738 5.738 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.639 2.314 5.345 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.688 3.648 4.700 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.634 3.224 4.306 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.532 3.888 3.987 1.00 0.00 C ATOM 565 OH TYR A 680 -0.542 4.796 2.952 1.00 0.00 O ATOM 0 H TYR A 680 -0.514 -1.344 8.173 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.588 0.629 7.494 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.500 1.600 8.162 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.425 0.485 7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.581 2.554 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.553 1.795 5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.600 4.169 4.448 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.538 3.415 3.747 1.00 0.00 H new ATOM 0 HH TYR A 680 0.352 4.849 2.554 1.00 0.00 H new ATOM 575 N ALA A 681 -2.993 -0.049 5.158 1.00 0.00 N ATOM 576 CA ALA A 681 -3.306 -0.491 3.804 1.00 0.00 C ATOM 577 C ALA A 681 -4.194 0.520 3.088 1.00 0.00 C ATOM 578 O ALA A 681 -5.274 0.863 3.571 1.00 0.00 O ATOM 579 CB ALA A 681 -3.976 -1.857 3.837 1.00 0.00 C ATOM 0 H ALA A 681 -3.683 0.581 5.566 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.372 -0.571 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.204 -2.175 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.305 -2.580 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.899 -1.796 4.414 1.00 0.00 H new ATOM 585 N ASP A 682 -3.734 0.993 1.935 1.00 0.00 N ATOM 586 CA ASP A 682 -4.488 1.965 1.152 1.00 0.00 C ATOM 587 C ASP A 682 -4.162 1.837 -0.333 1.00 0.00 C ATOM 588 O ASP A 682 -3.136 1.267 -0.706 1.00 0.00 O ATOM 589 CB ASP A 682 -4.185 3.385 1.633 1.00 0.00 C ATOM 590 CG ASP A 682 -5.281 4.366 1.266 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.465 4.050 1.506 1.00 0.00 O ATOM 592 OD2 ASP A 682 -4.954 5.450 0.738 1.00 0.00 O ATOM 0 H ASP A 682 -2.843 0.719 1.522 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.550 1.762 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.054 3.379 2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.242 3.719 1.200 1.00 0.00 H new ATOM 597 N ILE A 683 -5.041 2.369 -1.175 1.00 0.00 N ATOM 598 CA ILE A 683 -4.846 2.314 -2.618 1.00 0.00 C ATOM 599 C ILE A 683 -4.567 3.701 -3.188 1.00 0.00 C ATOM 600 O ILE A 683 -5.405 4.599 -3.105 1.00 0.00 O ATOM 601 CB ILE A 683 -6.074 1.716 -3.330 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.342 0.297 -2.826 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.865 1.718 -4.837 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.330 -0.718 -3.310 1.00 0.00 C ATOM 0 H ILE A 683 -5.895 2.843 -0.883 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.984 1.670 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.944 2.332 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.346 0.302 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.337 -0.012 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.741 1.292 -5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.717 2.741 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.986 1.122 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.583 -1.701 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.341 -0.752 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.336 -0.433 -2.966 1.00 0.00 H new ATOM 616 N LYS A 684 -3.384 3.868 -3.770 1.00 0.00 N ATOM 617 CA LYS A 684 -2.994 5.144 -4.358 1.00 0.00 C ATOM 618 C LYS A 684 -3.935 5.530 -5.494 1.00 0.00 C ATOM 619 O LYS A 684 -4.274 4.703 -6.340 1.00 0.00 O ATOM 620 CB LYS A 684 -1.555 5.072 -4.876 1.00 0.00 C ATOM 621 CG LYS A 684 -0.546 4.668 -3.814 1.00 0.00 C ATOM 622 CD LYS A 684 -0.401 5.740 -2.747 1.00 0.00 C ATOM 623 CE LYS A 684 0.285 5.198 -1.503 1.00 0.00 C ATOM 624 NZ LYS A 684 -0.608 4.297 -0.724 1.00 0.00 N ATOM 0 H LYS A 684 -2.679 3.135 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 684 -3.057 5.907 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -1.509 4.359 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -1.274 6.044 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.859 3.732 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.422 4.485 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 684 0.173 6.576 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.385 6.127 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 684 1.185 4.656 -1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.602 6.029 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 -0.195 4.125 0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 -1.541 4.743 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 -0.713 3.393 -1.227 1.00 0.00 H new ATOM 724 N LYS A 691 -4.671 3.911 -9.568 1.00 0.00 N ATOM 725 CA LYS A 691 -3.383 3.691 -10.214 1.00 0.00 C ATOM 726 C LYS A 691 -3.007 2.213 -10.192 1.00 0.00 C ATOM 727 O LYS A 691 -2.146 1.770 -10.951 1.00 0.00 O ATOM 728 CB LYS A 691 -2.295 4.516 -9.522 1.00 0.00 C ATOM 729 CG LYS A 691 -2.412 6.009 -9.771 1.00 0.00 C ATOM 730 CD LYS A 691 -2.011 6.371 -11.192 1.00 0.00 C ATOM 731 CE LYS A 691 -0.499 6.460 -11.338 1.00 0.00 C ATOM 732 NZ LYS A 691 -0.094 6.744 -12.743 1.00 0.00 N ATOM 0 HA LYS A 691 -3.467 4.010 -11.253 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -2.338 4.331 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -1.318 4.174 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.438 6.330 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.779 6.547 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -2.401 5.624 -11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -2.461 7.325 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -0.116 7.244 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -0.047 5.523 -11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 0.943 6.797 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -0.437 5.983 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -0.505 7.650 -13.046 1.00 0.00 H new ATOM 746 N GLY A 692 -3.660 1.455 -9.316 1.00 0.00 N ATOM 747 CA GLY A 692 -3.381 0.034 -9.213 1.00 0.00 C ATOM 748 C GLY A 692 -2.137 -0.254 -8.395 1.00 0.00 C ATOM 749 O GLY A 692 -1.563 -1.340 -8.489 1.00 0.00 O ATOM 0 H GLY A 692 -4.376 1.799 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -4.235 -0.469 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -3.260 -0.383 -10.213 1.00 0.00 H new ATOM 753 N CYS A 693 -1.720 0.718 -7.593 1.00 0.00 N ATOM 754 CA CYS A 693 -0.534 0.564 -6.757 1.00 0.00 C ATOM 755 C CYS A 693 -0.821 0.994 -5.322 1.00 0.00 C ATOM 756 O CYS A 693 -1.252 2.119 -5.074 1.00 0.00 O ATOM 757 CB CYS A 693 0.626 1.384 -7.326 1.00 0.00 C ATOM 758 SG CYS A 693 0.468 3.166 -7.065 1.00 0.00 S ATOM 0 H CYS A 693 -2.185 1.621 -7.503 1.00 0.00 H new ATOM 0 HA CYS A 693 -0.257 -0.490 -6.752 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.556 1.042 -6.871 1.00 0.00 H new ATOM 0 HB3 CYS A 693 0.704 1.190 -8.396 1.00 0.00 H new ATOM 0 HG CYS A 693 1.497 3.773 -7.579 1.00 0.00 H new ATOM 764 N GLY A 694 -0.579 0.088 -4.380 1.00 0.00 N ATOM 765 CA GLY A 694 -0.819 0.391 -2.981 1.00 0.00 C ATOM 766 C GLY A 694 0.342 -0.012 -2.093 1.00 0.00 C ATOM 767 O GLY A 694 1.456 -0.222 -2.573 1.00 0.00 O ATOM 0 H GLY A 694 -0.221 -0.850 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -1.003 1.460 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.721 -0.124 -2.650 1.00 0.00 H new ATOM 771 N VAL A 695 0.082 -0.118 -0.794 1.00 0.00 N ATOM 772 CA VAL A 695 1.114 -0.498 0.164 1.00 0.00 C ATOM 773 C VAL A 695 0.538 -1.363 1.279 1.00 0.00 C ATOM 774 O VAL A 695 -0.679 -1.468 1.432 1.00 0.00 O ATOM 775 CB VAL A 695 1.785 0.741 0.786 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.622 1.473 -0.253 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.740 1.667 1.388 1.00 0.00 C ATOM 0 H VAL A 695 -0.834 0.054 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 695 1.861 -1.070 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 695 2.448 0.410 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 695 3.088 2.346 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.395 0.806 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 695 1.983 1.793 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.232 2.537 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 695 0.050 1.992 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.188 1.137 2.164 1.00 0.00 H new ATOM 787 N VAL A 696 1.421 -1.982 2.056 1.00 0.00 N ATOM 788 CA VAL A 696 1.001 -2.838 3.159 1.00 0.00 C ATOM 789 C VAL A 696 2.040 -2.846 4.275 1.00 0.00 C ATOM 790 O VAL A 696 3.202 -3.187 4.054 1.00 0.00 O ATOM 791 CB VAL A 696 0.760 -4.284 2.687 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.360 -5.169 3.858 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.299 -4.319 1.596 1.00 0.00 C ATOM 0 H VAL A 696 2.432 -1.907 1.942 1.00 0.00 H new ATOM 0 HA VAL A 696 0.066 -2.427 3.540 1.00 0.00 H new ATOM 0 HB VAL A 696 1.690 -4.671 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.194 -6.187 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.156 -5.169 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.557 -4.787 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.456 -5.349 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.234 -3.913 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.033 -3.721 0.747 1.00 0.00 H new ATOM 803 N LYS A 697 1.613 -2.469 5.475 1.00 0.00 N ATOM 804 CA LYS A 697 2.505 -2.433 6.628 1.00 0.00 C ATOM 805 C LYS A 697 2.191 -3.572 7.594 1.00 0.00 C ATOM 806 O LYS A 697 1.027 -3.854 7.879 1.00 0.00 O ATOM 807 CB LYS A 697 2.384 -1.090 7.351 1.00 0.00 C ATOM 808 CG LYS A 697 3.618 -0.719 8.157 1.00 0.00 C ATOM 809 CD LYS A 697 3.312 0.362 9.179 1.00 0.00 C ATOM 810 CE LYS A 697 2.660 -0.217 10.426 1.00 0.00 C ATOM 811 NZ LYS A 697 3.656 -0.871 11.319 1.00 0.00 N ATOM 0 H LYS A 697 0.654 -2.184 5.675 1.00 0.00 H new ATOM 0 HA LYS A 697 3.527 -2.555 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.191 -0.308 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.522 -1.122 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.001 -1.604 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.403 -0.373 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 697 4.233 0.875 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.652 1.107 8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 697 2.150 0.577 10.971 1.00 0.00 H new ATOM 0 HE3 LYS A 697 1.901 -0.943 10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 3.299 -0.872 12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 3.812 -1.851 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 4.554 -0.348 11.279 1.00 0.00 H new ATOM 825 N PHE A 698 3.236 -4.221 8.096 1.00 0.00 N ATOM 826 CA PHE A 698 3.072 -5.328 9.030 1.00 0.00 C ATOM 827 C PHE A 698 3.619 -4.964 10.407 1.00 0.00 C ATOM 828 O PHE A 698 4.239 -3.916 10.582 1.00 0.00 O ATOM 829 CB PHE A 698 3.779 -6.578 8.502 1.00 0.00 C ATOM 830 CG PHE A 698 3.278 -7.029 7.159 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.820 -6.511 5.994 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.265 -7.969 7.063 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.362 -6.924 4.757 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.803 -8.386 5.829 1.00 0.00 C ATOM 835 CZ PHE A 698 2.351 -7.862 4.675 1.00 0.00 C ATOM 0 H PHE A 698 4.206 -3.999 7.871 1.00 0.00 H new ATOM 0 HA PHE A 698 2.006 -5.535 9.125 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.849 -6.379 8.434 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.651 -7.388 9.219 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.609 -5.776 6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.831 -8.381 7.962 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.794 -6.514 3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 698 1.014 -9.121 5.767 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.990 -8.185 3.710 1.00 0.00 H new ATOM 845 N GLU A 699 3.382 -5.837 11.381 1.00 0.00 N ATOM 846 CA GLU A 699 3.850 -5.607 12.743 1.00 0.00 C ATOM 847 C GLU A 699 5.331 -5.950 12.875 1.00 0.00 C ATOM 848 O GLU A 699 6.093 -5.225 13.514 1.00 0.00 O ATOM 849 CB GLU A 699 3.032 -6.437 13.734 1.00 0.00 C ATOM 850 CG GLU A 699 1.543 -6.140 13.693 1.00 0.00 C ATOM 851 CD GLU A 699 0.741 -7.048 14.606 1.00 0.00 C ATOM 852 OE1 GLU A 699 1.018 -8.266 14.622 1.00 0.00 O ATOM 853 OE2 GLU A 699 -0.161 -6.541 15.304 1.00 0.00 O ATOM 0 H GLU A 699 2.869 -6.709 11.253 1.00 0.00 H new ATOM 0 HA GLU A 699 3.719 -4.549 12.971 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.189 -7.495 13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.403 -6.253 14.742 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.375 -5.102 13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.183 -6.249 12.670 1.00 0.00 H new ATOM 860 N SER A 700 5.731 -7.062 12.266 1.00 0.00 N ATOM 861 CA SER A 700 7.119 -7.505 12.319 1.00 0.00 C ATOM 862 C SER A 700 7.803 -7.313 10.969 1.00 0.00 C ATOM 863 O SER A 700 7.199 -7.482 9.909 1.00 0.00 O ATOM 864 CB SER A 700 7.192 -8.976 12.736 1.00 0.00 C ATOM 865 OG SER A 700 6.943 -9.126 14.122 1.00 0.00 O ATOM 0 H SER A 700 5.114 -7.672 11.730 1.00 0.00 H new ATOM 0 HA SER A 700 7.640 -6.898 13.060 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.464 -9.555 12.168 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.176 -9.377 12.495 1.00 0.00 H new ATOM 0 HG SER A 700 6.994 -10.075 14.363 1.00 0.00 H new ATOM 871 N PRO A 701 9.094 -6.951 11.006 1.00 0.00 N ATOM 872 CA PRO A 701 9.889 -6.729 9.794 1.00 0.00 C ATOM 873 C PRO A 701 10.172 -8.023 9.040 1.00 0.00 C ATOM 874 O PRO A 701 10.340 -8.018 7.822 1.00 0.00 O ATOM 875 CB PRO A 701 11.190 -6.126 10.330 1.00 0.00 C ATOM 876 CG PRO A 701 11.290 -6.624 11.730 1.00 0.00 C ATOM 877 CD PRO A 701 9.877 -6.733 12.233 1.00 0.00 C ATOM 0 HA PRO A 701 9.371 -6.092 9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 701 12.047 -6.442 9.735 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.164 -5.037 10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.792 -7.591 11.765 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.872 -5.939 12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.763 -7.559 12.935 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.565 -5.828 12.753 1.00 0.00 H new ATOM 885 N GLU A 702 10.223 -9.131 9.774 1.00 0.00 N ATOM 886 CA GLU A 702 10.486 -10.433 9.173 1.00 0.00 C ATOM 887 C GLU A 702 9.319 -10.872 8.293 1.00 0.00 C ATOM 888 O GLU A 702 9.510 -11.541 7.277 1.00 0.00 O ATOM 889 CB GLU A 702 10.742 -11.479 10.260 1.00 0.00 C ATOM 890 CG GLU A 702 9.547 -11.719 11.167 1.00 0.00 C ATOM 891 CD GLU A 702 9.756 -12.888 12.111 1.00 0.00 C ATOM 892 OE1 GLU A 702 10.493 -12.723 13.105 1.00 0.00 O ATOM 893 OE2 GLU A 702 9.182 -13.967 11.854 1.00 0.00 O ATOM 0 H GLU A 702 10.086 -9.152 10.784 1.00 0.00 H new ATOM 0 HA GLU A 702 11.375 -10.344 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.024 -12.420 9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.590 -11.160 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.350 -10.818 11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.663 -11.904 10.556 1.00 0.00 H new ATOM 900 N VAL A 703 8.109 -10.493 8.692 1.00 0.00 N ATOM 901 CA VAL A 703 6.911 -10.846 7.941 1.00 0.00 C ATOM 902 C VAL A 703 6.919 -10.204 6.559 1.00 0.00 C ATOM 903 O VAL A 703 6.836 -10.893 5.543 1.00 0.00 O ATOM 904 CB VAL A 703 5.634 -10.416 8.687 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.404 -10.661 7.827 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.520 -11.149 10.015 1.00 0.00 C ATOM 0 H VAL A 703 7.933 -9.941 9.532 1.00 0.00 H new ATOM 0 HA VAL A 703 6.913 -11.931 7.834 1.00 0.00 H new ATOM 0 HB VAL A 703 5.697 -9.347 8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.512 -10.351 8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.485 -10.086 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.333 -11.722 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.612 -10.833 10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.480 -12.223 9.835 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.386 -10.917 10.634 1.00 0.00 H new ATOM 916 N ALA A 704 7.020 -8.879 6.528 1.00 0.00 N ATOM 917 CA ALA A 704 7.042 -8.144 5.270 1.00 0.00 C ATOM 918 C ALA A 704 7.966 -8.814 4.258 1.00 0.00 C ATOM 919 O ALA A 704 7.565 -9.093 3.129 1.00 0.00 O ATOM 920 CB ALA A 704 7.473 -6.704 5.508 1.00 0.00 C ATOM 0 H ALA A 704 7.088 -8.293 7.360 1.00 0.00 H new ATOM 0 HA ALA A 704 6.033 -8.147 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.485 -6.166 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.772 -6.222 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.471 -6.691 5.945 1.00 0.00 H new ATOM 926 N GLU A 705 9.203 -9.068 4.671 1.00 0.00 N ATOM 927 CA GLU A 705 10.183 -9.705 3.799 1.00 0.00 C ATOM 928 C GLU A 705 9.641 -11.015 3.236 1.00 0.00 C ATOM 929 O GLU A 705 9.995 -11.421 2.129 1.00 0.00 O ATOM 930 CB GLU A 705 11.485 -9.964 4.560 1.00 0.00 C ATOM 931 CG GLU A 705 12.417 -8.764 4.600 1.00 0.00 C ATOM 932 CD GLU A 705 13.853 -9.151 4.892 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.517 -9.694 3.984 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.314 -8.911 6.027 1.00 0.00 O ATOM 0 H GLU A 705 9.551 -8.843 5.603 1.00 0.00 H new ATOM 0 HA GLU A 705 10.385 -9.029 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.246 -10.262 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.006 -10.802 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.372 -8.242 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.071 -8.065 5.361 1.00 0.00 H new ATOM 941 N ARG A 706 8.780 -11.672 4.006 1.00 0.00 N ATOM 942 CA ARG A 706 8.190 -12.937 3.586 1.00 0.00 C ATOM 943 C ARG A 706 6.998 -12.701 2.663 1.00 0.00 C ATOM 944 O ARG A 706 6.845 -13.376 1.646 1.00 0.00 O ATOM 945 CB ARG A 706 7.751 -13.750 4.806 1.00 0.00 C ATOM 946 CG ARG A 706 7.382 -15.187 4.479 1.00 0.00 C ATOM 947 CD ARG A 706 6.644 -15.849 5.633 1.00 0.00 C ATOM 948 NE ARG A 706 6.604 -17.302 5.495 1.00 0.00 N ATOM 949 CZ ARG A 706 6.117 -18.116 6.426 1.00 0.00 C ATOM 950 NH1 ARG A 706 5.630 -17.620 7.555 1.00 0.00 N ATOM 951 NH2 ARG A 706 6.115 -19.427 6.227 1.00 0.00 N ATOM 0 H ARG A 706 8.475 -11.349 4.924 1.00 0.00 H new ATOM 0 HA ARG A 706 8.947 -13.498 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.555 -13.749 5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.895 -13.260 5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.758 -15.209 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.285 -15.753 4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 706 7.131 -15.587 6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.626 -15.461 5.683 1.00 0.00 H new ATOM 0 HE ARG A 706 6.970 -17.715 4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 706 5.629 -16.612 7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 706 5.257 -18.247 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 706 6.487 -19.812 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 706 5.741 -20.051 6.942 1.00 0.00 H new ATOM 965 N ALA A 707 6.156 -11.739 3.027 1.00 0.00 N ATOM 966 CA ALA A 707 4.979 -11.413 2.232 1.00 0.00 C ATOM 967 C ALA A 707 5.373 -10.945 0.835 1.00 0.00 C ATOM 968 O ALA A 707 4.939 -11.516 -0.167 1.00 0.00 O ATOM 969 CB ALA A 707 4.147 -10.348 2.932 1.00 0.00 C ATOM 0 H ALA A 707 6.268 -11.172 3.868 1.00 0.00 H new ATOM 0 HA ALA A 707 4.379 -12.317 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.271 -10.114 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.827 -10.718 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.746 -9.447 3.065 1.00 0.00 H new ATOM 975 N CYS A 708 6.196 -9.904 0.774 1.00 0.00 N ATOM 976 CA CYS A 708 6.647 -9.359 -0.501 1.00 0.00 C ATOM 977 C CYS A 708 7.095 -10.474 -1.441 1.00 0.00 C ATOM 978 O CYS A 708 6.944 -10.371 -2.658 1.00 0.00 O ATOM 979 CB CYS A 708 7.792 -8.370 -0.280 1.00 0.00 C ATOM 980 SG CYS A 708 9.309 -9.126 0.351 1.00 0.00 S ATOM 0 H CYS A 708 6.565 -9.421 1.593 1.00 0.00 H new ATOM 0 HA CYS A 708 5.809 -8.836 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.013 -7.870 -1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 708 7.464 -7.601 0.419 1.00 0.00 H new ATOM 0 HG CYS A 708 9.031 -10.281 0.879 1.00 0.00 H new ATOM 986 N ARG A 709 7.649 -11.537 -0.867 1.00 0.00 N ATOM 987 CA ARG A 709 8.123 -12.670 -1.654 1.00 0.00 C ATOM 988 C ARG A 709 6.975 -13.620 -1.983 1.00 0.00 C ATOM 989 O ARG A 709 6.933 -14.206 -3.064 1.00 0.00 O ATOM 990 CB ARG A 709 9.220 -13.420 -0.897 1.00 0.00 C ATOM 991 CG ARG A 709 10.623 -12.927 -1.211 1.00 0.00 C ATOM 992 CD ARG A 709 11.545 -13.070 -0.011 1.00 0.00 C ATOM 993 NE ARG A 709 12.224 -14.363 0.007 1.00 0.00 N ATOM 994 CZ ARG A 709 12.780 -14.887 1.094 1.00 0.00 C ATOM 995 NH1 ARG A 709 12.737 -14.231 2.245 1.00 0.00 N ATOM 996 NH2 ARG A 709 13.380 -16.068 1.030 1.00 0.00 N ATOM 0 H ARG A 709 7.781 -11.638 0.139 1.00 0.00 H new ATOM 0 HA ARG A 709 8.534 -12.287 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.041 -13.324 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.155 -14.481 -1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 709 11.028 -13.490 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.582 -11.882 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 709 12.287 -12.271 -0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 709 10.968 -12.951 0.906 1.00 0.00 H new ATOM 0 HE ARG A 709 12.274 -14.893 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 709 12.276 -13.322 2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 709 13.164 -14.635 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 709 13.415 -16.575 0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 709 13.807 -16.469 1.865 1.00 0.00 H new ATOM 1010 N MET A 710 6.048 -13.768 -1.043 1.00 0.00 N ATOM 1011 CA MET A 710 4.900 -14.647 -1.234 1.00 0.00 C ATOM 1012 C MET A 710 3.851 -13.986 -2.123 1.00 0.00 C ATOM 1013 O MET A 710 2.907 -14.635 -2.573 1.00 0.00 O ATOM 1014 CB MET A 710 4.282 -15.015 0.116 1.00 0.00 C ATOM 1015 CG MET A 710 4.974 -16.181 0.804 1.00 0.00 C ATOM 1016 SD MET A 710 3.886 -17.064 1.938 1.00 0.00 S ATOM 1017 CE MET A 710 3.499 -15.769 3.113 1.00 0.00 C ATOM 0 H MET A 710 6.069 -13.291 -0.142 1.00 0.00 H new ATOM 0 HA MET A 710 5.248 -15.555 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.317 -14.145 0.771 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.231 -15.262 -0.030 1.00 0.00 H new ATOM 0 HG2 MET A 710 5.346 -16.874 0.049 1.00 0.00 H new ATOM 0 HG3 MET A 710 5.841 -15.812 1.352 1.00 0.00 H new ATOM 0 HE1 MET A 710 2.846 -16.166 3.890 1.00 0.00 H new ATOM 0 HE2 MET A 710 4.420 -15.401 3.566 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.995 -14.950 2.599 1.00 0.00 H new ATOM 1027 N MET A 711 4.022 -12.692 -2.371 1.00 0.00 N ATOM 1028 CA MET A 711 3.090 -11.944 -3.207 1.00 0.00 C ATOM 1029 C MET A 711 3.755 -11.512 -4.510 1.00 0.00 C ATOM 1030 O MET A 711 3.112 -11.461 -5.558 1.00 0.00 O ATOM 1031 CB MET A 711 2.569 -10.717 -2.456 1.00 0.00 C ATOM 1032 CG MET A 711 1.802 -11.061 -1.189 1.00 0.00 C ATOM 1033 SD MET A 711 0.566 -12.347 -1.453 1.00 0.00 S ATOM 1034 CE MET A 711 -0.928 -11.485 -0.971 1.00 0.00 C ATOM 0 H MET A 711 4.797 -12.139 -2.005 1.00 0.00 H new ATOM 0 HA MET A 711 2.251 -12.598 -3.447 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.411 -10.074 -2.198 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.921 -10.143 -3.119 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.504 -11.389 -0.422 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.312 -10.164 -0.811 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.732 -11.735 -1.664 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.212 -11.785 0.038 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.751 -10.410 -0.993 1.00 0.00 H new ATOM 1044 N ASN A 712 5.045 -11.202 -4.437 1.00 0.00 N ATOM 1045 CA ASN A 712 5.796 -10.774 -5.612 1.00 0.00 C ATOM 1046 C ASN A 712 5.382 -11.574 -6.843 1.00 0.00 C ATOM 1047 O ASN A 712 5.727 -12.747 -6.979 1.00 0.00 O ATOM 1048 CB ASN A 712 7.298 -10.932 -5.368 1.00 0.00 C ATOM 1049 CG ASN A 712 8.100 -10.896 -6.655 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.879 -11.701 -7.559 1.00 0.00 O ATOM 1051 ND2 ASN A 712 9.036 -9.958 -6.742 1.00 0.00 N ATOM 0 H ASN A 712 5.592 -11.239 -3.577 1.00 0.00 H new ATOM 0 HA ASN A 712 5.573 -9.722 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.642 -10.137 -4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.483 -11.875 -4.854 1.00 0.00 H new ATOM 0 HD21 ASN A 712 9.607 -9.884 -7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.184 -9.312 -5.967 1.00 0.00 H new ATOM 1058 N GLY A 713 4.642 -10.929 -7.740 1.00 0.00 N ATOM 1059 CA GLY A 713 4.193 -11.596 -8.949 1.00 0.00 C ATOM 1060 C GLY A 713 2.840 -12.256 -8.779 1.00 0.00 C ATOM 1061 O GLY A 713 2.478 -13.150 -9.543 1.00 0.00 O ATOM 0 H GLY A 713 4.345 -9.957 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.141 -10.872 -9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 713 4.927 -12.348 -9.239 1.00 0.00 H new ATOM 1065 N MET A 714 2.090 -11.816 -7.774 1.00 0.00 N ATOM 1066 CA MET A 714 0.768 -12.371 -7.506 1.00 0.00 C ATOM 1067 C MET A 714 -0.188 -12.077 -8.657 1.00 0.00 C ATOM 1068 O MET A 714 -0.733 -10.977 -8.760 1.00 0.00 O ATOM 1069 CB MET A 714 0.206 -11.800 -6.203 1.00 0.00 C ATOM 1070 CG MET A 714 -1.247 -12.171 -5.954 1.00 0.00 C ATOM 1071 SD MET A 714 -2.135 -10.910 -5.019 1.00 0.00 S ATOM 1072 CE MET A 714 -0.858 -10.365 -3.888 1.00 0.00 C ATOM 0 H MET A 714 2.375 -11.077 -7.132 1.00 0.00 H new ATOM 0 HA MET A 714 0.868 -13.452 -7.407 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.811 -12.156 -5.369 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.297 -10.714 -6.223 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.747 -12.328 -6.910 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.289 -13.116 -5.413 1.00 0.00 H new ATOM 0 HE1 MET A 714 -1.318 -9.899 -3.017 1.00 0.00 H new ATOM 0 HE2 MET A 714 -0.264 -11.222 -3.570 1.00 0.00 H new ATOM 0 HE3 MET A 714 -0.213 -9.642 -4.388 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.388 -13.066 -9.522 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.279 -12.914 -10.666 1.00 0.00 C ATOM 1084 C LYS A 715 -2.699 -12.592 -10.211 1.00 0.00 C ATOM 1085 O LYS A 715 -3.452 -13.483 -9.816 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.280 -14.190 -11.510 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.248 -14.183 -12.625 1.00 0.00 C ATOM 1088 CD LYS A 715 -0.794 -13.534 -13.886 1.00 0.00 C ATOM 1089 CE LYS A 715 0.048 -13.886 -15.103 1.00 0.00 C ATOM 1090 NZ LYS A 715 -0.371 -13.118 -16.308 1.00 0.00 N ATOM 0 H LYS A 715 0.055 -13.982 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.914 -12.085 -11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.095 -15.045 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.270 -14.328 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.642 -13.647 -12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 715 0.059 -15.206 -12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -1.822 -13.858 -14.047 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.817 -12.452 -13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 715 1.097 -13.683 -14.890 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -0.035 -14.954 -15.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 0.227 -13.386 -17.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -1.365 -13.331 -16.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -0.268 -12.100 -16.124 1.00 0.00 H new ATOM 1104 N LEU A 716 -3.059 -11.315 -10.269 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.390 -10.875 -9.864 1.00 0.00 C ATOM 1106 C LEU A 716 -5.289 -10.672 -11.079 1.00 0.00 C ATOM 1107 O LEU A 716 -4.944 -9.936 -12.003 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.297 -9.577 -9.061 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.902 -9.724 -7.591 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.642 -8.360 -6.969 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.984 -10.465 -6.820 1.00 0.00 C ATOM 0 H LEU A 716 -2.448 -10.565 -10.593 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.828 -11.652 -9.237 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.573 -8.923 -9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.263 -9.074 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.982 -10.306 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -3.362 -8.485 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.832 -7.864 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.545 -7.753 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.686 -10.561 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.920 -9.909 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -5.123 -11.457 -7.250 1.00 0.00 H new ATOM 1123 N SER A 717 -6.445 -11.329 -11.070 1.00 0.00 N ATOM 1124 CA SER A 717 -7.394 -11.222 -12.171 1.00 0.00 C ATOM 1125 C SER A 717 -6.666 -11.154 -13.511 1.00 0.00 C ATOM 1126 O SER A 717 -7.052 -10.399 -14.402 1.00 0.00 O ATOM 1127 CB SER A 717 -8.276 -9.984 -11.994 1.00 0.00 C ATOM 1128 OG SER A 717 -9.529 -10.156 -12.632 1.00 0.00 O ATOM 0 H SER A 717 -6.746 -11.941 -10.312 1.00 0.00 H new ATOM 0 HA SER A 717 -8.023 -12.112 -12.163 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.428 -9.791 -10.932 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.771 -9.111 -12.407 1.00 0.00 H new ATOM 0 HG SER A 717 -10.075 -9.352 -12.503 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.609 -11.950 -13.644 1.00 0.00 N ATOM 1135 CA GLY A 718 -4.843 -11.966 -14.876 1.00 0.00 C ATOM 1136 C GLY A 718 -3.907 -10.779 -14.992 1.00 0.00 C ATOM 1137 O GLY A 718 -3.655 -10.284 -16.091 1.00 0.00 O ATOM 0 H GLY A 718 -5.270 -12.584 -12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.264 -12.888 -14.928 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.526 -11.970 -15.725 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.392 -10.320 -13.857 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.481 -9.182 -13.836 1.00 0.00 C ATOM 1143 C ARG A 719 -1.378 -9.387 -12.802 1.00 0.00 C ATOM 1144 O ARG A 719 -1.631 -9.360 -11.598 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.248 -7.893 -13.531 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.449 -7.671 -14.435 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.388 -6.619 -13.865 1.00 0.00 C ATOM 1148 NE ARG A 719 -5.028 -5.272 -14.300 1.00 0.00 N ATOM 1149 CZ ARG A 719 -5.160 -4.842 -15.550 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -5.642 -5.650 -16.484 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -4.810 -3.602 -15.867 1.00 0.00 N ATOM 0 H ARG A 719 -3.590 -10.719 -12.939 1.00 0.00 H new ATOM 0 HA ARG A 719 -2.021 -9.099 -14.821 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.584 -7.917 -12.494 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.570 -7.045 -13.627 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -4.110 -7.360 -15.423 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.988 -8.610 -14.564 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -6.410 -6.839 -14.174 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -5.367 -6.666 -12.776 1.00 0.00 H new ATOM 0 HE ARG A 719 -4.654 -4.625 -13.605 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -5.912 -6.604 -16.243 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -5.743 -5.318 -17.443 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -4.439 -2.978 -15.151 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -4.912 -3.273 -16.827 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.155 -9.591 -13.281 1.00 0.00 N ATOM 1166 CA GLU A 720 0.985 -9.802 -12.397 1.00 0.00 C ATOM 1167 C GLU A 720 1.370 -8.507 -11.687 1.00 0.00 C ATOM 1168 O GLU A 720 1.571 -7.473 -12.325 1.00 0.00 O ATOM 1169 CB GLU A 720 2.180 -10.337 -13.189 1.00 0.00 C ATOM 1170 CG GLU A 720 2.188 -11.849 -13.333 1.00 0.00 C ATOM 1171 CD GLU A 720 3.108 -12.326 -14.440 1.00 0.00 C ATOM 1172 OE1 GLU A 720 3.249 -11.600 -15.447 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.687 -13.423 -14.300 1.00 0.00 O ATOM 0 H GLU A 720 0.072 -9.615 -14.275 1.00 0.00 H new ATOM 0 HA GLU A 720 0.698 -10.537 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.178 -9.886 -14.181 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.101 -10.023 -12.698 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.498 -12.298 -12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.174 -12.196 -13.533 1.00 0.00 H new ATOM 1180 N ILE A 721 1.471 -8.572 -10.364 1.00 0.00 N ATOM 1181 CA ILE A 721 1.832 -7.406 -9.567 1.00 0.00 C ATOM 1182 C ILE A 721 3.317 -7.414 -9.223 1.00 0.00 C ATOM 1183 O ILE A 721 3.973 -8.455 -9.280 1.00 0.00 O ATOM 1184 CB ILE A 721 1.014 -7.340 -8.264 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.306 -8.562 -7.390 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.472 -7.247 -8.575 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.947 -8.364 -5.935 1.00 0.00 C ATOM 0 H ILE A 721 1.308 -9.420 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 721 1.607 -6.528 -10.172 1.00 0.00 H new ATOM 0 HB ILE A 721 1.306 -6.445 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.753 -9.417 -7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.366 -8.807 -7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.036 -7.201 -7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.666 -6.349 -9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.780 -8.124 -9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 721 1.181 -9.270 -5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 721 1.519 -7.530 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.118 -8.149 -5.849 1.00 0.00 H new ATOM 1199 N ASP A 722 3.842 -6.248 -8.863 1.00 0.00 N ATOM 1200 CA ASP A 722 5.250 -6.121 -8.506 1.00 0.00 C ATOM 1201 C ASP A 722 5.404 -5.692 -7.050 1.00 0.00 C ATOM 1202 O ASP A 722 5.267 -4.514 -6.720 1.00 0.00 O ATOM 1203 CB ASP A 722 5.942 -5.112 -9.423 1.00 0.00 C ATOM 1204 CG ASP A 722 6.322 -5.712 -10.762 1.00 0.00 C ATOM 1205 OD1 ASP A 722 6.783 -6.873 -10.782 1.00 0.00 O ATOM 1206 OD2 ASP A 722 6.160 -5.022 -11.790 1.00 0.00 O ATOM 0 H ASP A 722 3.314 -5.377 -8.811 1.00 0.00 H new ATOM 0 HA ASP A 722 5.721 -7.096 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.282 -4.260 -9.584 1.00 0.00 H new ATOM 0 HB3 ASP A 722 6.838 -4.733 -8.931 1.00 0.00 H new ATOM 1211 N VAL A 723 5.690 -6.657 -6.181 1.00 0.00 N ATOM 1212 CA VAL A 723 5.863 -6.381 -4.760 1.00 0.00 C ATOM 1213 C VAL A 723 7.340 -6.307 -4.391 1.00 0.00 C ATOM 1214 O VAL A 723 8.141 -7.137 -4.822 1.00 0.00 O ATOM 1215 CB VAL A 723 5.181 -7.454 -3.892 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.994 -6.951 -2.469 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.848 -7.863 -4.501 1.00 0.00 C ATOM 0 H VAL A 723 5.807 -7.637 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 723 5.394 -5.416 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 723 5.825 -8.333 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.510 -7.723 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.966 -6.712 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.372 -6.056 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.379 -8.622 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.195 -6.993 -4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 723 4.013 -8.268 -5.500 1.00 0.00 H new ATOM 1227 N ARG A 724 7.695 -5.308 -3.589 1.00 0.00 N ATOM 1228 CA ARG A 724 9.077 -5.126 -3.162 1.00 0.00 C ATOM 1229 C ARG A 724 9.145 -4.305 -1.877 1.00 0.00 C ATOM 1230 O ARG A 724 8.305 -3.437 -1.639 1.00 0.00 O ATOM 1231 CB ARG A 724 9.887 -4.438 -4.262 1.00 0.00 C ATOM 1232 CG ARG A 724 9.164 -3.269 -4.911 1.00 0.00 C ATOM 1233 CD ARG A 724 9.473 -1.960 -4.202 1.00 0.00 C ATOM 1234 NE ARG A 724 8.788 -0.828 -4.820 1.00 0.00 N ATOM 1235 CZ ARG A 724 9.177 -0.265 -5.958 1.00 0.00 C ATOM 1236 NH1 ARG A 724 10.241 -0.728 -6.600 1.00 0.00 N ATOM 1237 NH2 ARG A 724 8.501 0.762 -6.458 1.00 0.00 N ATOM 0 H ARG A 724 7.045 -4.613 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 724 9.503 -6.110 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 724 10.828 -4.084 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.137 -5.171 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 724 9.457 -3.195 -5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 724 8.089 -3.449 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 724 9.177 -2.036 -3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 724 10.549 -1.785 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 724 7.965 -0.449 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 724 10.762 -1.518 -6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 724 10.538 -0.294 -7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 724 7.681 1.120 -5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 724 8.801 1.193 -7.332 1.00 0.00 H new ATOM 1251 N ILE A 725 10.149 -4.587 -1.053 1.00 0.00 N ATOM 1252 CA ILE A 725 10.326 -3.876 0.206 1.00 0.00 C ATOM 1253 C ILE A 725 10.435 -2.372 -0.023 1.00 0.00 C ATOM 1254 O ILE A 725 11.150 -1.920 -0.918 1.00 0.00 O ATOM 1255 CB ILE A 725 11.580 -4.361 0.956 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.394 -5.807 1.423 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.876 -3.451 2.138 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.209 -5.997 2.343 1.00 0.00 C ATOM 0 H ILE A 725 10.852 -5.303 -1.235 1.00 0.00 H new ATOM 0 HA ILE A 725 9.446 -4.087 0.813 1.00 0.00 H new ATOM 0 HB ILE A 725 12.430 -4.325 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.273 -6.449 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.298 -6.134 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.765 -3.807 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 725 12.047 -2.435 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 725 11.028 -3.457 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.139 -7.045 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.337 -5.381 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.296 -5.702 1.826 1.00 0.00 H new ATOM 1270 N ASP A 726 9.723 -1.602 0.792 1.00 0.00 N ATOM 1271 CA ASP A 726 9.741 -0.148 0.681 1.00 0.00 C ATOM 1272 C ASP A 726 10.818 0.452 1.579 1.00 0.00 C ATOM 1273 O ASP A 726 10.524 0.971 2.656 1.00 0.00 O ATOM 1274 CB ASP A 726 8.373 0.431 1.047 1.00 0.00 C ATOM 1275 CG ASP A 726 8.163 1.821 0.481 1.00 0.00 C ATOM 1276 OD1 ASP A 726 8.750 2.127 -0.578 1.00 0.00 O ATOM 1277 OD2 ASP A 726 7.410 2.604 1.097 1.00 0.00 O ATOM 0 H ASP A 726 9.126 -1.960 1.537 1.00 0.00 H new ATOM 0 HA ASP A 726 9.970 0.110 -0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.590 -0.231 0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.274 0.465 2.132 1.00 0.00 H new