USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=14 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 153:sc= -3.78! (180deg=-3.89!) USER MOD Set 1.2: A 714 MET CE :methyl -126:sc= -1.51 (180deg=-5.65!) USER MOD Set 2.1: A 680 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 684 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Set 3.1: A 675 CYS SG : rot 140:sc= -1.63 USER MOD Set 3.2: A 710 MET CE :methyl -120:sc= -3.19 (180deg=-5.79!) USER MOD Set 4.1: A 664 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 667 MET CE :methyl 172:sc= -0.044 (180deg=-0.251) USER MOD Single : A 652 CYS SG : rot 180:sc= -5.11! USER MOD Single : A 653 GLN : amide:sc= 1 K(o=1,f=-0.18) USER MOD Single : A 658 ASN : amide:sc= -0.641 X(o=-0.64,f=-0.27) USER MOD Single : A 666 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 669 LYS NZ :NH3+ -139:sc= -1.02 (180deg=-3.12!) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 673 ASN : amide:sc= -3.43 K(o=-3.4,f=-1.5) USER MOD Single : A 677 HIS : no HD1:sc= -1.86! K(o=-1.9!,f=-0.76) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 7:sc= -1.17 USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 708 CYS SG : rot 74:sc= -1.73 USER MOD Single : A 712 ASN : amide:sc= -5.67! C(o=-5.7!,f=-9.5!) 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 9.202 -3.126 7.393 1.00 0.00 N ATOM 77 CA CYS A 652 7.868 -3.565 7.789 1.00 0.00 C ATOM 78 C CYS A 652 6.832 -3.169 6.741 1.00 0.00 C ATOM 79 O CYS A 652 5.765 -3.776 6.650 1.00 0.00 O ATOM 80 CB CYS A 652 7.493 -2.967 9.146 1.00 0.00 C ATOM 81 SG CYS A 652 8.213 -3.835 10.559 1.00 0.00 S ATOM 0 HA CYS A 652 7.879 -4.652 7.870 1.00 0.00 H new ATOM 0 HB2 CYS A 652 7.812 -1.925 9.172 1.00 0.00 H new ATOM 0 HB3 CYS A 652 6.408 -2.971 9.245 1.00 0.00 H new ATOM 0 HG CYS A 652 7.840 -3.254 11.661 1.00 0.00 H new ATOM 87 N GLN A 653 7.154 -2.148 5.955 1.00 0.00 N ATOM 88 CA GLN A 653 6.250 -1.670 4.916 1.00 0.00 C ATOM 89 C GLN A 653 6.720 -2.119 3.536 1.00 0.00 C ATOM 90 O GLN A 653 7.920 -2.226 3.283 1.00 0.00 O ATOM 91 CB GLN A 653 6.148 -0.144 4.961 1.00 0.00 C ATOM 92 CG GLN A 653 5.142 0.428 3.975 1.00 0.00 C ATOM 93 CD GLN A 653 4.977 1.928 4.113 1.00 0.00 C ATOM 94 OE1 GLN A 653 4.809 2.447 5.217 1.00 0.00 O ATOM 95 NE2 GLN A 653 5.026 2.635 2.990 1.00 0.00 N ATOM 0 H GLN A 653 8.034 -1.636 6.017 1.00 0.00 H new ATOM 0 HA GLN A 653 5.265 -2.099 5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.871 0.164 5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.129 0.284 4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 653 5.461 0.193 2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.177 -0.055 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 653 5.167 2.164 2.096 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.923 3.649 3.021 1.00 0.00 H new ATOM 104 N ILE A 654 5.767 -2.381 2.648 1.00 0.00 N ATOM 105 CA ILE A 654 6.084 -2.819 1.294 1.00 0.00 C ATOM 106 C ILE A 654 5.309 -2.010 0.260 1.00 0.00 C ATOM 107 O ILE A 654 4.395 -1.259 0.601 1.00 0.00 O ATOM 108 CB ILE A 654 5.773 -4.314 1.098 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.268 -4.565 1.220 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.538 -5.152 2.112 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.847 -5.945 0.766 1.00 0.00 C ATOM 0 H ILE A 654 4.769 -2.298 2.842 1.00 0.00 H new ATOM 0 HA ILE A 654 7.153 -2.658 1.152 1.00 0.00 H new ATOM 0 HB ILE A 654 6.092 -4.608 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.968 -4.426 2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.734 -3.819 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.307 -6.207 1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.608 -4.992 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.247 -4.858 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.768 -6.052 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 654 4.116 -6.081 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.353 -6.697 1.371 1.00 0.00 H new ATOM 123 N PHE A 655 5.679 -2.170 -1.006 1.00 0.00 N ATOM 124 CA PHE A 655 5.018 -1.455 -2.092 1.00 0.00 C ATOM 125 C PHE A 655 4.455 -2.430 -3.122 1.00 0.00 C ATOM 126 O PHE A 655 4.994 -3.519 -3.322 1.00 0.00 O ATOM 127 CB PHE A 655 5.997 -0.492 -2.767 1.00 0.00 C ATOM 128 CG PHE A 655 5.335 0.723 -3.353 1.00 0.00 C ATOM 129 CD1 PHE A 655 5.034 1.815 -2.556 1.00 0.00 C ATOM 130 CD2 PHE A 655 5.014 0.771 -4.700 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.425 2.935 -3.092 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.406 1.888 -5.241 1.00 0.00 C ATOM 133 CZ PHE A 655 4.110 2.970 -4.436 1.00 0.00 C ATOM 0 H PHE A 655 6.433 -2.788 -1.306 1.00 0.00 H new ATOM 0 HA PHE A 655 4.192 -0.885 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.742 -0.174 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.530 -1.022 -3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.278 1.792 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.241 -0.073 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 655 4.196 3.781 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.163 1.915 -6.293 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.633 3.843 -4.857 1.00 0.00 H new ATOM 143 N VAL A 656 3.367 -2.032 -3.772 1.00 0.00 N ATOM 144 CA VAL A 656 2.730 -2.869 -4.782 1.00 0.00 C ATOM 145 C VAL A 656 2.419 -2.070 -6.042 1.00 0.00 C ATOM 146 O VAL A 656 2.232 -0.854 -5.988 1.00 0.00 O ATOM 147 CB VAL A 656 1.427 -3.496 -4.250 1.00 0.00 C ATOM 148 CG1 VAL A 656 1.002 -4.666 -5.125 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.600 -3.936 -2.804 1.00 0.00 C ATOM 0 H VAL A 656 2.908 -1.135 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 656 3.435 -3.664 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 656 0.640 -2.743 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 656 0.080 -5.097 -4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.836 -4.317 -6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.785 -5.424 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.670 -4.377 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.399 -4.674 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.854 -3.073 -2.189 1.00 0.00 H new ATOM 159 N ARG A 657 2.364 -2.761 -7.176 1.00 0.00 N ATOM 160 CA ARG A 657 2.076 -2.116 -8.451 1.00 0.00 C ATOM 161 C ARG A 657 1.333 -3.066 -9.386 1.00 0.00 C ATOM 162 O ARG A 657 1.361 -4.282 -9.201 1.00 0.00 O ATOM 163 CB ARG A 657 3.372 -1.642 -9.112 1.00 0.00 C ATOM 164 CG ARG A 657 4.059 -0.511 -8.364 1.00 0.00 C ATOM 165 CD ARG A 657 4.989 0.275 -9.276 1.00 0.00 C ATOM 166 NE ARG A 657 5.457 1.507 -8.648 1.00 0.00 N ATOM 167 CZ ARG A 657 6.393 1.543 -7.706 1.00 0.00 C ATOM 168 NH1 ARG A 657 6.957 0.420 -7.285 1.00 0.00 N ATOM 169 NH2 ARG A 657 6.766 2.704 -7.183 1.00 0.00 N ATOM 0 H ARG A 657 2.515 -3.768 -7.238 1.00 0.00 H new ATOM 0 HA ARG A 657 1.439 -1.253 -8.257 1.00 0.00 H new ATOM 0 HB2 ARG A 657 4.059 -2.484 -9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 657 3.153 -1.314 -10.128 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.308 0.158 -7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.627 -0.918 -7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.845 -0.345 -9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 657 4.470 0.515 -10.204 1.00 0.00 H new ATOM 0 HE ARG A 657 5.042 2.389 -8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 657 6.673 -0.474 -7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 657 7.675 0.450 -6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 657 6.334 3.570 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 657 7.485 2.730 -6.460 1.00 0.00 H new ATOM 183 N ASN A 658 0.670 -2.501 -10.390 1.00 0.00 N ATOM 184 CA ASN A 658 -0.082 -3.298 -11.353 1.00 0.00 C ATOM 185 C ASN A 658 -1.279 -3.969 -10.688 1.00 0.00 C ATOM 186 O ASN A 658 -1.541 -5.153 -10.904 1.00 0.00 O ATOM 187 CB ASN A 658 0.823 -4.357 -11.987 1.00 0.00 C ATOM 188 CG ASN A 658 0.409 -4.698 -13.405 1.00 0.00 C ATOM 189 OD1 ASN A 658 1.063 -4.298 -14.368 1.00 0.00 O ATOM 190 ND2 ASN A 658 -0.684 -5.441 -13.539 1.00 0.00 N ATOM 0 H ASN A 658 0.638 -1.495 -10.558 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.449 -2.629 -12.132 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.852 -3.998 -11.988 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.802 -5.261 -11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 658 -1.012 -5.702 -14.469 1.00 0.00 H new ATOM 0 HD22 ASN A 658 -1.195 -5.750 -12.712 1.00 0.00 H new ATOM 197 N LEU A 659 -2.004 -3.205 -9.877 1.00 0.00 N ATOM 198 CA LEU A 659 -3.175 -3.725 -9.180 1.00 0.00 C ATOM 199 C LEU A 659 -4.448 -3.451 -9.975 1.00 0.00 C ATOM 200 O LEU A 659 -4.598 -2.409 -10.613 1.00 0.00 O ATOM 201 CB LEU A 659 -3.284 -3.099 -7.789 1.00 0.00 C ATOM 202 CG LEU A 659 -2.264 -3.578 -6.755 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.214 -2.624 -5.572 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.597 -4.988 -6.292 1.00 0.00 C ATOM 0 H LEU A 659 -1.801 -2.224 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.058 -4.804 -9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.188 -2.018 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.284 -3.295 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.280 -3.594 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.483 -2.981 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -1.927 -1.631 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.196 -2.575 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -1.861 -5.313 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.589 -4.998 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.580 -5.665 -7.146 1.00 0.00 H new ATOM 216 N PRO A 660 -5.388 -4.406 -9.934 1.00 0.00 N ATOM 217 CA PRO A 660 -6.666 -4.290 -10.643 1.00 0.00 C ATOM 218 C PRO A 660 -7.339 -2.942 -10.407 1.00 0.00 C ATOM 219 O PRO A 660 -7.582 -2.549 -9.266 1.00 0.00 O ATOM 220 CB PRO A 660 -7.508 -5.419 -10.044 1.00 0.00 C ATOM 221 CG PRO A 660 -6.514 -6.426 -9.577 1.00 0.00 C ATOM 222 CD PRO A 660 -5.277 -5.674 -9.193 1.00 0.00 C ATOM 0 HA PRO A 660 -6.540 -4.360 -11.723 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.124 -5.059 -9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.184 -5.845 -10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -6.903 -6.987 -8.728 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.298 -7.148 -10.364 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.230 -5.505 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.375 -6.221 -9.469 1.00 0.00 H new ATOM 230 N PHE A 661 -7.638 -2.237 -11.493 1.00 0.00 N ATOM 231 CA PHE A 661 -8.283 -0.932 -11.404 1.00 0.00 C ATOM 232 C PHE A 661 -9.473 -0.977 -10.450 1.00 0.00 C ATOM 233 O PHE A 661 -9.872 0.044 -9.889 1.00 0.00 O ATOM 234 CB PHE A 661 -8.743 -0.471 -12.789 1.00 0.00 C ATOM 235 CG PHE A 661 -7.613 -0.054 -13.687 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.064 1.215 -13.588 1.00 0.00 C ATOM 237 CD2 PHE A 661 -7.101 -0.929 -14.630 1.00 0.00 C ATOM 238 CE1 PHE A 661 -6.026 1.601 -14.413 1.00 0.00 C ATOM 239 CE2 PHE A 661 -6.062 -0.548 -15.459 1.00 0.00 C ATOM 240 CZ PHE A 661 -5.523 0.718 -15.349 1.00 0.00 C ATOM 0 H PHE A 661 -7.444 -2.547 -12.445 1.00 0.00 H new ATOM 0 HA PHE A 661 -7.554 -0.221 -11.015 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -9.297 -1.279 -13.267 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -9.433 0.365 -12.674 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.452 1.909 -12.858 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -7.518 -1.921 -14.719 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -5.608 2.593 -14.327 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -5.673 -1.240 -16.191 1.00 0.00 H new ATOM 0 HZ PHE A 661 -4.710 1.018 -15.993 1.00 0.00 H new ATOM 250 N ASP A 662 -10.035 -2.167 -10.271 1.00 0.00 N ATOM 251 CA ASP A 662 -11.179 -2.347 -9.384 1.00 0.00 C ATOM 252 C ASP A 662 -10.721 -2.631 -7.957 1.00 0.00 C ATOM 253 O ASP A 662 -11.409 -2.293 -6.994 1.00 0.00 O ATOM 254 CB ASP A 662 -12.065 -3.488 -9.885 1.00 0.00 C ATOM 255 CG ASP A 662 -12.696 -3.184 -11.230 1.00 0.00 C ATOM 256 OD1 ASP A 662 -13.186 -2.050 -11.412 1.00 0.00 O ATOM 257 OD2 ASP A 662 -12.700 -4.079 -12.100 1.00 0.00 O ATOM 0 H ASP A 662 -9.717 -3.022 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 662 -11.756 -1.422 -9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -11.470 -4.398 -9.963 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -12.850 -3.682 -9.154 1.00 0.00 H new ATOM 262 N PHE A 663 -9.555 -3.256 -7.828 1.00 0.00 N ATOM 263 CA PHE A 663 -9.006 -3.588 -6.519 1.00 0.00 C ATOM 264 C PHE A 663 -9.294 -2.479 -5.511 1.00 0.00 C ATOM 265 O PHE A 663 -9.215 -1.293 -5.835 1.00 0.00 O ATOM 266 CB PHE A 663 -7.497 -3.822 -6.619 1.00 0.00 C ATOM 267 CG PHE A 663 -6.976 -4.812 -5.617 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.424 -6.123 -5.621 1.00 0.00 C ATOM 269 CD2 PHE A 663 -6.037 -4.432 -4.672 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.947 -7.036 -4.700 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.556 -5.340 -3.748 1.00 0.00 C ATOM 272 CZ PHE A 663 -6.010 -6.644 -3.763 1.00 0.00 C ATOM 0 H PHE A 663 -8.972 -3.543 -8.615 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.486 -4.503 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.258 -4.173 -7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.980 -2.872 -6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.155 -6.435 -6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.677 -3.414 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.306 -8.055 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.826 -5.030 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.633 -7.356 -3.044 1.00 0.00 H new ATOM 282 N THR A 664 -9.629 -2.873 -4.286 1.00 0.00 N ATOM 283 CA THR A 664 -9.931 -1.914 -3.231 1.00 0.00 C ATOM 284 C THR A 664 -8.983 -2.081 -2.049 1.00 0.00 C ATOM 285 O THR A 664 -8.228 -3.050 -1.979 1.00 0.00 O ATOM 286 CB THR A 664 -11.382 -2.063 -2.736 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.585 -3.375 -2.200 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.369 -1.813 -3.867 1.00 0.00 C ATOM 0 H THR A 664 -9.698 -3.850 -4.000 1.00 0.00 H new ATOM 0 HA THR A 664 -9.801 -0.920 -3.660 1.00 0.00 H new ATOM 0 HB THR A 664 -11.553 -1.322 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.509 -3.461 -1.886 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.387 -1.924 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.232 -0.803 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.196 -2.533 -4.667 1.00 0.00 H new ATOM 296 N TRP A 665 -9.028 -1.130 -1.123 1.00 0.00 N ATOM 297 CA TRP A 665 -8.173 -1.173 0.058 1.00 0.00 C ATOM 298 C TRP A 665 -8.496 -2.387 0.921 1.00 0.00 C ATOM 299 O TRP A 665 -7.609 -3.163 1.278 1.00 0.00 O ATOM 300 CB TRP A 665 -8.334 0.109 0.877 1.00 0.00 C ATOM 301 CG TRP A 665 -9.500 0.069 1.819 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.706 0.688 1.657 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.567 -0.626 3.069 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.520 0.420 2.731 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.845 -0.384 3.611 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.674 -1.430 3.782 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -11.248 -0.917 4.832 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -9.075 -1.957 4.995 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.353 -1.701 5.509 1.00 0.00 C ATOM 0 H TRP A 665 -9.647 -0.320 -1.167 1.00 0.00 H new ATOM 0 HA TRP A 665 -7.139 -1.254 -0.276 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.422 0.285 1.447 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.453 0.953 0.198 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.980 1.299 0.809 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.472 0.764 2.853 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.688 -1.636 3.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -12.232 -0.719 5.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.392 -2.577 5.556 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.638 -2.131 6.458 1.00 0.00 H new ATOM 320 N LYS A 666 -9.773 -2.547 1.255 1.00 0.00 N ATOM 321 CA LYS A 666 -10.215 -3.668 2.076 1.00 0.00 C ATOM 322 C LYS A 666 -9.572 -4.971 1.609 1.00 0.00 C ATOM 323 O LYS A 666 -8.990 -5.706 2.406 1.00 0.00 O ATOM 324 CB LYS A 666 -11.739 -3.793 2.027 1.00 0.00 C ATOM 325 CG LYS A 666 -12.284 -4.931 2.872 1.00 0.00 C ATOM 326 CD LYS A 666 -12.496 -4.503 4.314 1.00 0.00 C ATOM 327 CE LYS A 666 -13.823 -3.782 4.492 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.011 -3.302 5.889 1.00 0.00 N ATOM 0 H LYS A 666 -10.520 -1.914 0.969 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.905 -3.478 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -12.183 -2.856 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -12.050 -3.939 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.228 -5.277 2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.593 -5.773 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -12.467 -5.379 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.681 -3.849 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.871 -2.935 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -14.639 -4.453 4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -14.927 -2.816 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -13.991 -4.113 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -13.246 -2.642 6.135 1.00 0.00 H new ATOM 342 N MET A 667 -9.681 -5.248 0.314 1.00 0.00 N ATOM 343 CA MET A 667 -9.108 -6.461 -0.258 1.00 0.00 C ATOM 344 C MET A 667 -7.593 -6.481 -0.083 1.00 0.00 C ATOM 345 O MET A 667 -7.019 -7.487 0.337 1.00 0.00 O ATOM 346 CB MET A 667 -9.463 -6.568 -1.742 1.00 0.00 C ATOM 347 CG MET A 667 -10.794 -7.255 -2.001 1.00 0.00 C ATOM 348 SD MET A 667 -10.870 -8.035 -3.624 1.00 0.00 S ATOM 349 CE MET A 667 -10.876 -6.596 -4.691 1.00 0.00 C ATOM 0 H MET A 667 -10.160 -4.650 -0.359 1.00 0.00 H new ATOM 0 HA MET A 667 -9.529 -7.316 0.271 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.490 -5.567 -2.174 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.674 -7.116 -2.257 1.00 0.00 H new ATOM 0 HG2 MET A 667 -10.965 -8.008 -1.232 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.598 -6.524 -1.916 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.777 -6.913 -5.729 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.813 -6.053 -4.565 1.00 0.00 H new ATOM 0 HE3 MET A 667 -10.042 -5.945 -4.429 1.00 0.00 H new ATOM 359 N LEU A 668 -6.949 -5.365 -0.408 1.00 0.00 N ATOM 360 CA LEU A 668 -5.500 -5.255 -0.288 1.00 0.00 C ATOM 361 C LEU A 668 -5.026 -5.762 1.071 1.00 0.00 C ATOM 362 O LEU A 668 -4.079 -6.544 1.158 1.00 0.00 O ATOM 363 CB LEU A 668 -5.061 -3.803 -0.483 1.00 0.00 C ATOM 364 CG LEU A 668 -3.609 -3.486 -0.125 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.657 -4.228 -1.051 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.358 -1.987 -0.190 1.00 0.00 C ATOM 0 H LEU A 668 -7.408 -4.524 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.048 -5.873 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.224 -3.532 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.710 -3.165 0.117 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.426 -3.821 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.628 -3.990 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.819 -5.302 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.841 -3.924 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.319 -1.780 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.560 -1.628 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -4.015 -1.477 0.515 1.00 0.00 H new ATOM 378 N LYS A 669 -5.693 -5.315 2.129 1.00 0.00 N ATOM 379 CA LYS A 669 -5.344 -5.726 3.484 1.00 0.00 C ATOM 380 C LYS A 669 -5.579 -7.220 3.677 1.00 0.00 C ATOM 381 O LYS A 669 -4.631 -8.004 3.734 1.00 0.00 O ATOM 382 CB LYS A 669 -6.164 -4.934 4.506 1.00 0.00 C ATOM 383 CG LYS A 669 -6.211 -5.580 5.880 1.00 0.00 C ATOM 384 CD LYS A 669 -7.174 -4.855 6.804 1.00 0.00 C ATOM 385 CE LYS A 669 -6.476 -3.746 7.577 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.469 -2.463 6.821 1.00 0.00 N ATOM 0 H LYS A 669 -6.479 -4.667 2.075 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.285 -5.520 3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.744 -3.933 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.182 -4.819 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.514 -6.623 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -5.213 -5.578 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -7.992 -4.434 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.614 -5.566 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -6.976 -3.601 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -5.451 -4.045 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -5.543 -2.002 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -6.646 -2.653 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -7.213 -1.838 7.192 1.00 0.00 H new ATOM 400 N ASP A 670 -6.846 -7.608 3.775 1.00 0.00 N ATOM 401 CA ASP A 670 -7.204 -9.010 3.958 1.00 0.00 C ATOM 402 C ASP A 670 -6.406 -9.903 3.014 1.00 0.00 C ATOM 403 O ASP A 670 -6.212 -11.089 3.279 1.00 0.00 O ATOM 404 CB ASP A 670 -8.703 -9.209 3.725 1.00 0.00 C ATOM 405 CG ASP A 670 -9.517 -9.010 4.988 1.00 0.00 C ATOM 406 OD1 ASP A 670 -9.225 -9.689 5.995 1.00 0.00 O ATOM 407 OD2 ASP A 670 -10.447 -8.177 4.970 1.00 0.00 O ATOM 0 H ASP A 670 -7.642 -6.972 3.731 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.963 -9.291 4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.045 -8.510 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.877 -10.213 3.338 1.00 0.00 H new ATOM 412 N LYS A 671 -5.946 -9.326 1.909 1.00 0.00 N ATOM 413 CA LYS A 671 -5.169 -10.068 0.924 1.00 0.00 C ATOM 414 C LYS A 671 -3.790 -10.420 1.472 1.00 0.00 C ATOM 415 O LYS A 671 -3.370 -11.576 1.429 1.00 0.00 O ATOM 416 CB LYS A 671 -5.025 -9.252 -0.363 1.00 0.00 C ATOM 417 CG LYS A 671 -4.162 -9.925 -1.417 1.00 0.00 C ATOM 418 CD LYS A 671 -4.956 -10.940 -2.222 1.00 0.00 C ATOM 419 CE LYS A 671 -5.831 -10.263 -3.265 1.00 0.00 C ATOM 420 NZ LYS A 671 -6.907 -11.167 -3.758 1.00 0.00 N ATOM 0 H LYS A 671 -6.098 -8.345 1.673 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.700 -10.994 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.015 -9.068 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.596 -8.280 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -3.749 -9.171 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.318 -10.420 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -4.272 -11.632 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -5.579 -11.531 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -6.278 -9.366 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -5.214 -9.942 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -7.481 -10.668 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -6.480 -12.012 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -7.512 -11.453 -2.962 1.00 0.00 H new ATOM 434 N PHE A 672 -3.089 -9.415 1.989 1.00 0.00 N ATOM 435 CA PHE A 672 -1.757 -9.619 2.547 1.00 0.00 C ATOM 436 C PHE A 672 -1.840 -10.225 3.945 1.00 0.00 C ATOM 437 O PHE A 672 -0.835 -10.660 4.504 1.00 0.00 O ATOM 438 CB PHE A 672 -0.994 -8.294 2.597 1.00 0.00 C ATOM 439 CG PHE A 672 -0.324 -7.939 1.301 1.00 0.00 C ATOM 440 CD1 PHE A 672 -1.045 -7.365 0.266 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.029 -8.178 1.117 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.431 -7.038 -0.927 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.649 -7.853 -0.075 1.00 0.00 C ATOM 444 CZ PHE A 672 0.918 -7.281 -1.098 1.00 0.00 C ATOM 0 H PHE A 672 -3.422 -8.452 2.033 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.222 -10.314 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.685 -7.496 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.241 -8.347 3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.100 -7.171 0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.606 -8.623 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -1.005 -6.593 -1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.703 -8.046 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.400 -7.024 -2.030 1.00 0.00 H new ATOM 454 N ASN A 673 -3.046 -10.248 4.503 1.00 0.00 N ATOM 455 CA ASN A 673 -3.261 -10.799 5.836 1.00 0.00 C ATOM 456 C ASN A 673 -2.760 -12.238 5.917 1.00 0.00 C ATOM 457 O ASN A 673 -2.180 -12.648 6.922 1.00 0.00 O ATOM 458 CB ASN A 673 -4.745 -10.742 6.201 1.00 0.00 C ATOM 459 CG ASN A 673 -5.121 -9.446 6.893 1.00 0.00 C ATOM 460 OD1 ASN A 673 -5.755 -9.455 7.949 1.00 0.00 O ATOM 461 ND2 ASN A 673 -4.732 -8.324 6.300 1.00 0.00 N ATOM 0 H ASN A 673 -3.889 -9.892 4.053 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.696 -10.196 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.343 -10.855 5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -4.989 -11.582 6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -4.957 -7.421 6.719 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -4.208 -8.364 5.426 1.00 0.00 H new ATOM 468 N GLU A 674 -2.989 -12.999 4.851 1.00 0.00 N ATOM 469 CA GLU A 674 -2.561 -14.393 4.803 1.00 0.00 C ATOM 470 C GLU A 674 -1.113 -14.534 5.264 1.00 0.00 C ATOM 471 O GLU A 674 -0.750 -15.516 5.912 1.00 0.00 O ATOM 472 CB GLU A 674 -2.713 -14.946 3.385 1.00 0.00 C ATOM 473 CG GLU A 674 -4.137 -15.340 3.034 1.00 0.00 C ATOM 474 CD GLU A 674 -4.476 -16.753 3.469 1.00 0.00 C ATOM 475 OE1 GLU A 674 -4.036 -17.704 2.789 1.00 0.00 O ATOM 476 OE2 GLU A 674 -5.181 -16.908 4.487 1.00 0.00 O ATOM 0 H GLU A 674 -3.467 -12.675 4.011 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.196 -14.966 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -2.367 -14.197 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.066 -15.816 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.830 -14.643 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.279 -15.251 1.957 1.00 0.00 H new ATOM 483 N CYS A 675 -0.292 -13.546 4.926 1.00 0.00 N ATOM 484 CA CYS A 675 1.117 -13.560 5.303 1.00 0.00 C ATOM 485 C CYS A 675 1.285 -13.242 6.786 1.00 0.00 C ATOM 486 O CYS A 675 1.875 -14.020 7.534 1.00 0.00 O ATOM 487 CB CYS A 675 1.902 -12.553 4.461 1.00 0.00 C ATOM 488 SG CYS A 675 1.781 -12.829 2.678 1.00 0.00 S ATOM 0 H CYS A 675 -0.578 -12.725 4.392 1.00 0.00 H new ATOM 0 HA CYS A 675 1.508 -14.560 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.544 -11.549 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 675 2.951 -12.591 4.753 1.00 0.00 H new ATOM 0 HG CYS A 675 1.673 -11.686 2.068 1.00 0.00 H new ATOM 494 N GLY A 676 0.764 -12.092 7.202 1.00 0.00 N ATOM 495 CA GLY A 676 0.869 -11.691 8.593 1.00 0.00 C ATOM 496 C GLY A 676 -0.153 -10.637 8.971 1.00 0.00 C ATOM 497 O GLY A 676 -1.004 -10.268 8.161 1.00 0.00 O ATOM 0 H GLY A 676 0.271 -11.431 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.738 -12.565 9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.871 -11.306 8.782 1.00 0.00 H new ATOM 501 N HIS A 677 -0.072 -10.153 10.206 1.00 0.00 N ATOM 502 CA HIS A 677 -0.999 -9.136 10.691 1.00 0.00 C ATOM 503 C HIS A 677 -0.766 -7.806 9.980 1.00 0.00 C ATOM 504 O HIS A 677 0.245 -7.140 10.203 1.00 0.00 O ATOM 505 CB HIS A 677 -0.845 -8.954 12.201 1.00 0.00 C ATOM 506 CG HIS A 677 -1.833 -7.996 12.793 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.329 -8.122 14.074 1.00 0.00 N ATOM 508 CD2 HIS A 677 -2.416 -6.891 12.272 1.00 0.00 C ATOM 509 CE1 HIS A 677 -3.176 -7.137 14.314 1.00 0.00 C ATOM 510 NE2 HIS A 677 -3.246 -6.376 13.237 1.00 0.00 N ATOM 0 H HIS A 677 0.626 -10.448 10.889 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.013 -9.471 10.475 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -0.954 -9.923 12.688 1.00 0.00 H new ATOM 0 HB3 HIS A 677 0.164 -8.601 12.415 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -2.258 -6.489 11.282 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -3.719 -6.981 15.234 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -3.823 -5.541 13.138 1.00 0.00 H new ATOM 519 N VAL A 678 -1.709 -7.426 9.124 1.00 0.00 N ATOM 520 CA VAL A 678 -1.607 -6.175 8.381 1.00 0.00 C ATOM 521 C VAL A 678 -2.216 -5.019 9.165 1.00 0.00 C ATOM 522 O VAL A 678 -3.353 -5.101 9.632 1.00 0.00 O ATOM 523 CB VAL A 678 -2.306 -6.278 7.012 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.394 -4.909 6.354 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.576 -7.264 6.114 1.00 0.00 C ATOM 0 H VAL A 678 -2.552 -7.966 8.928 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.545 -5.984 8.225 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.320 -6.646 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.891 -5.001 5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.964 -4.234 6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.390 -4.510 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.084 -7.324 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.550 -6.928 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.570 -8.248 6.583 1.00 0.00 H new ATOM 535 N LEU A 679 -1.453 -3.940 9.306 1.00 0.00 N ATOM 536 CA LEU A 679 -1.918 -2.764 10.034 1.00 0.00 C ATOM 537 C LEU A 679 -2.391 -1.680 9.071 1.00 0.00 C ATOM 538 O LEU A 679 -3.570 -1.326 9.050 1.00 0.00 O ATOM 539 CB LEU A 679 -0.801 -2.219 10.926 1.00 0.00 C ATOM 540 CG LEU A 679 -0.080 -3.244 11.801 1.00 0.00 C ATOM 541 CD1 LEU A 679 1.272 -2.709 12.246 1.00 0.00 C ATOM 542 CD2 LEU A 679 -0.933 -3.610 13.007 1.00 0.00 C ATOM 0 H LEU A 679 -0.510 -3.855 8.926 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.761 -3.062 10.658 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.062 -1.730 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.223 -1.451 11.574 1.00 0.00 H new ATOM 0 HG LEU A 679 0.085 -4.145 11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.771 -3.452 12.868 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.886 -2.498 11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 679 1.130 -1.793 12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.404 -4.341 13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.129 -2.716 13.599 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -1.878 -4.036 12.669 1.00 0.00 H new ATOM 554 N TYR A 680 -1.465 -1.158 8.275 1.00 0.00 N ATOM 555 CA TYR A 680 -1.787 -0.113 7.310 1.00 0.00 C ATOM 556 C TYR A 680 -2.000 -0.704 5.919 1.00 0.00 C ATOM 557 O TYR A 680 -1.179 -1.479 5.429 1.00 0.00 O ATOM 558 CB TYR A 680 -0.672 0.933 7.267 1.00 0.00 C ATOM 559 CG TYR A 680 -0.768 1.871 6.086 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.983 2.433 5.716 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.359 2.198 5.340 1.00 0.00 C ATOM 562 CE1 TYR A 680 -2.075 3.291 4.637 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.277 3.056 4.260 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.943 3.599 3.912 1.00 0.00 C ATOM 565 OH TYR A 680 -1.030 4.454 2.838 1.00 0.00 O ATOM 0 H TYR A 680 -0.485 -1.441 8.279 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.713 0.367 7.627 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.697 1.517 8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.291 0.424 7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.872 2.195 6.282 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.315 1.774 5.609 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -3.028 3.718 4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.162 3.300 3.692 1.00 0.00 H new ATOM 0 HH TYR A 680 -0.132 4.756 2.586 1.00 0.00 H new ATOM 575 N ALA A 681 -3.108 -0.330 5.288 1.00 0.00 N ATOM 576 CA ALA A 681 -3.429 -0.819 3.953 1.00 0.00 C ATOM 577 C ALA A 681 -4.321 0.167 3.207 1.00 0.00 C ATOM 578 O ALA A 681 -5.377 0.561 3.701 1.00 0.00 O ATOM 579 CB ALA A 681 -4.101 -2.182 4.038 1.00 0.00 C ATOM 0 H ALA A 681 -3.799 0.310 5.680 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.498 -0.919 3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.335 -2.535 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.429 -2.889 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -5.021 -2.099 4.617 1.00 0.00 H new ATOM 585 N ASP A 682 -3.889 0.563 2.014 1.00 0.00 N ATOM 586 CA ASP A 682 -4.648 1.503 1.199 1.00 0.00 C ATOM 587 C ASP A 682 -4.165 1.482 -0.248 1.00 0.00 C ATOM 588 O ASP A 682 -3.037 1.076 -0.529 1.00 0.00 O ATOM 589 CB ASP A 682 -4.529 2.918 1.769 1.00 0.00 C ATOM 590 CG ASP A 682 -5.741 3.772 1.457 1.00 0.00 C ATOM 591 OD1 ASP A 682 -5.914 4.149 0.279 1.00 0.00 O ATOM 592 OD2 ASP A 682 -6.517 4.064 2.390 1.00 0.00 O ATOM 0 H ASP A 682 -3.017 0.247 1.590 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.695 1.199 1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.397 2.861 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.637 3.396 1.363 1.00 0.00 H new ATOM 597 N ILE A 683 -5.026 1.921 -1.160 1.00 0.00 N ATOM 598 CA ILE A 683 -4.686 1.952 -2.577 1.00 0.00 C ATOM 599 C ILE A 683 -4.134 3.315 -2.980 1.00 0.00 C ATOM 600 O ILE A 683 -4.887 4.271 -3.170 1.00 0.00 O ATOM 601 CB ILE A 683 -5.908 1.625 -3.456 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.422 0.216 -3.150 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.551 1.756 -4.929 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.335 -0.836 -3.148 1.00 0.00 C ATOM 0 H ILE A 683 -5.963 2.260 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.921 1.192 -2.735 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.701 2.338 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.914 0.221 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.177 -0.055 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.425 1.522 -5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.228 2.776 -5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.744 1.064 -5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.771 -1.809 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -4.858 -0.869 -4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.591 -0.589 -2.391 1.00 0.00 H new ATOM 616 N LYS A 684 -2.815 3.397 -3.111 1.00 0.00 N ATOM 617 CA LYS A 684 -2.160 4.642 -3.495 1.00 0.00 C ATOM 618 C LYS A 684 -2.634 5.105 -4.869 1.00 0.00 C ATOM 619 O LYS A 684 -2.636 4.334 -5.828 1.00 0.00 O ATOM 620 CB LYS A 684 -0.640 4.462 -3.503 1.00 0.00 C ATOM 621 CG LYS A 684 -0.098 3.818 -2.239 1.00 0.00 C ATOM 622 CD LYS A 684 -0.321 4.702 -1.023 1.00 0.00 C ATOM 623 CE LYS A 684 0.840 5.661 -0.810 1.00 0.00 C ATOM 624 NZ LYS A 684 0.966 6.072 0.616 1.00 0.00 N ATOM 0 H LYS A 684 -2.178 2.616 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.426 5.404 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -0.359 3.851 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.168 5.435 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.583 2.855 -2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.968 3.623 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 684 -1.244 5.268 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -0.447 4.079 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 684 1.766 5.187 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.699 6.545 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 1.702 6.802 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 0.058 6.455 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 1.226 5.247 1.193 1.00 0.00 H new ATOM 724 N LYS A 691 -3.580 4.134 -9.545 1.00 0.00 N ATOM 725 CA LYS A 691 -2.254 3.869 -10.088 1.00 0.00 C ATOM 726 C LYS A 691 -1.863 2.409 -9.883 1.00 0.00 C ATOM 727 O LYS A 691 -0.681 2.076 -9.816 1.00 0.00 O ATOM 728 CB LYS A 691 -1.218 4.782 -9.429 1.00 0.00 C ATOM 729 CG LYS A 691 -1.315 6.232 -9.872 1.00 0.00 C ATOM 730 CD LYS A 691 -0.781 6.421 -11.282 1.00 0.00 C ATOM 731 CE LYS A 691 -1.289 7.713 -11.903 1.00 0.00 C ATOM 732 NZ LYS A 691 -1.299 7.648 -13.390 1.00 0.00 N ATOM 0 HA LYS A 691 -2.281 4.073 -11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.339 4.733 -8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.220 4.408 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -2.354 6.558 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -0.754 6.863 -9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 691 0.309 6.430 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -1.081 5.576 -11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -2.297 7.918 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -0.660 8.543 -11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -1.652 8.548 -13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -0.333 7.478 -13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -1.919 6.873 -13.699 1.00 0.00 H new ATOM 746 N GLY A 692 -2.866 1.541 -9.786 1.00 0.00 N ATOM 747 CA GLY A 692 -2.606 0.127 -9.591 1.00 0.00 C ATOM 748 C GLY A 692 -1.429 -0.125 -8.670 1.00 0.00 C ATOM 749 O GLY A 692 -0.717 -1.119 -8.819 1.00 0.00 O ATOM 0 H GLY A 692 -3.853 1.792 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.495 -0.349 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.414 -0.340 -10.557 1.00 0.00 H new ATOM 753 N CYS A 693 -1.222 0.777 -7.717 1.00 0.00 N ATOM 754 CA CYS A 693 -0.121 0.649 -6.769 1.00 0.00 C ATOM 755 C CYS A 693 -0.602 0.888 -5.342 1.00 0.00 C ATOM 756 O CYS A 693 -1.201 1.919 -5.042 1.00 0.00 O ATOM 757 CB CYS A 693 0.995 1.636 -7.116 1.00 0.00 C ATOM 758 SG CYS A 693 0.543 3.372 -6.888 1.00 0.00 S ATOM 0 H CYS A 693 -1.802 1.605 -7.580 1.00 0.00 H new ATOM 0 HA CYS A 693 0.268 -0.367 -6.836 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.866 1.414 -6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 693 1.292 1.482 -8.154 1.00 0.00 H new ATOM 0 HG CYS A 693 -0.629 3.446 -6.330 1.00 0.00 H new ATOM 764 N GLY A 694 -0.336 -0.076 -4.464 1.00 0.00 N ATOM 765 CA GLY A 694 -0.750 0.048 -3.079 1.00 0.00 C ATOM 766 C GLY A 694 0.380 -0.234 -2.109 1.00 0.00 C ATOM 767 O GLY A 694 1.465 -0.653 -2.512 1.00 0.00 O ATOM 0 H GLY A 694 0.158 -0.940 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -1.131 1.054 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.572 -0.642 -2.885 1.00 0.00 H new ATOM 771 N VAL A 695 0.127 -0.001 -0.825 1.00 0.00 N ATOM 772 CA VAL A 695 1.132 -0.231 0.206 1.00 0.00 C ATOM 773 C VAL A 695 0.570 -1.078 1.342 1.00 0.00 C ATOM 774 O VAL A 695 -0.629 -1.045 1.621 1.00 0.00 O ATOM 775 CB VAL A 695 1.659 1.096 0.783 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.567 1.791 -0.220 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.503 2.000 1.183 1.00 0.00 C ATOM 0 H VAL A 695 -0.765 0.347 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 695 1.955 -0.765 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 695 2.244 0.876 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 695 2.930 2.727 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.414 1.145 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 695 2.009 1.999 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 695 0.894 2.933 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 695 -0.111 2.214 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 695 -0.104 1.502 1.939 1.00 0.00 H new ATOM 787 N VAL A 696 1.444 -1.837 1.996 1.00 0.00 N ATOM 788 CA VAL A 696 1.035 -2.693 3.104 1.00 0.00 C ATOM 789 C VAL A 696 2.075 -2.682 4.218 1.00 0.00 C ATOM 790 O VAL A 696 3.240 -3.014 3.999 1.00 0.00 O ATOM 791 CB VAL A 696 0.811 -4.144 2.639 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.386 -5.020 3.808 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.222 -4.192 1.523 1.00 0.00 C ATOM 0 H VAL A 696 2.440 -1.877 1.778 1.00 0.00 H new ATOM 0 HA VAL A 696 0.095 -2.293 3.484 1.00 0.00 H new ATOM 0 HB VAL A 696 1.752 -4.532 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.232 -6.042 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.164 -5.010 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.543 -4.637 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.368 -5.225 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.167 -3.786 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.128 -3.599 0.678 1.00 0.00 H new ATOM 803 N LYS A 697 1.646 -2.299 5.416 1.00 0.00 N ATOM 804 CA LYS A 697 2.538 -2.247 6.568 1.00 0.00 C ATOM 805 C LYS A 697 2.247 -3.390 7.535 1.00 0.00 C ATOM 806 O LYS A 697 1.090 -3.665 7.856 1.00 0.00 O ATOM 807 CB LYS A 697 2.394 -0.905 7.290 1.00 0.00 C ATOM 808 CG LYS A 697 3.663 -0.453 7.992 1.00 0.00 C ATOM 809 CD LYS A 697 3.358 0.486 9.146 1.00 0.00 C ATOM 810 CE LYS A 697 4.435 0.421 10.218 1.00 0.00 C ATOM 811 NZ LYS A 697 4.297 1.523 11.211 1.00 0.00 N ATOM 0 H LYS A 697 0.685 -2.020 5.614 1.00 0.00 H new ATOM 0 HA LYS A 697 3.561 -2.352 6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.097 -0.144 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.591 -0.980 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.204 -1.323 8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.316 0.048 7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 697 3.275 1.507 8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.393 0.227 9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.379 -0.539 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 697 5.418 0.475 9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 5.049 1.443 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 4.376 2.439 10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 3.370 1.456 11.677 1.00 0.00 H new ATOM 825 N PHE A 698 3.302 -4.053 7.996 1.00 0.00 N ATOM 826 CA PHE A 698 3.159 -5.166 8.927 1.00 0.00 C ATOM 827 C PHE A 698 3.670 -4.785 10.313 1.00 0.00 C ATOM 828 O PHE A 698 4.268 -3.726 10.496 1.00 0.00 O ATOM 829 CB PHE A 698 3.918 -6.391 8.411 1.00 0.00 C ATOM 830 CG PHE A 698 3.346 -6.960 7.143 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.737 -6.466 5.909 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.418 -7.988 7.186 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.213 -6.987 4.741 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.891 -8.513 6.021 1.00 0.00 C ATOM 835 CZ PHE A 698 2.288 -8.011 4.797 1.00 0.00 C ATOM 0 H PHE A 698 4.266 -3.839 7.740 1.00 0.00 H new ATOM 0 HA PHE A 698 2.099 -5.409 9.004 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.959 -6.118 8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.913 -7.163 9.181 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.459 -5.665 5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 698 2.103 -8.383 8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.527 -6.594 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 698 1.169 -9.315 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.876 -8.418 3.886 1.00 0.00 H new ATOM 845 N GLU A 699 3.428 -5.658 11.287 1.00 0.00 N ATOM 846 CA GLU A 699 3.862 -5.412 12.657 1.00 0.00 C ATOM 847 C GLU A 699 5.363 -5.644 12.803 1.00 0.00 C ATOM 848 O GLU A 699 6.069 -4.844 13.416 1.00 0.00 O ATOM 849 CB GLU A 699 3.099 -6.316 13.627 1.00 0.00 C ATOM 850 CG GLU A 699 1.764 -5.742 14.073 1.00 0.00 C ATOM 851 CD GLU A 699 1.887 -4.872 15.309 1.00 0.00 C ATOM 852 OE1 GLU A 699 2.812 -5.111 16.112 1.00 0.00 O ATOM 853 OE2 GLU A 699 1.058 -3.952 15.472 1.00 0.00 O ATOM 0 H GLU A 699 2.934 -6.540 11.152 1.00 0.00 H new ATOM 0 HA GLU A 699 3.648 -4.370 12.897 1.00 0.00 H new ATOM 0 HB2 GLU A 699 2.929 -7.282 13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.719 -6.497 14.505 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.336 -5.155 13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.071 -6.559 14.275 1.00 0.00 H new ATOM 860 N SER A 700 5.843 -6.746 12.235 1.00 0.00 N ATOM 861 CA SER A 700 7.259 -7.087 12.304 1.00 0.00 C ATOM 862 C SER A 700 7.922 -6.935 10.938 1.00 0.00 C ATOM 863 O SER A 700 7.318 -7.185 9.895 1.00 0.00 O ATOM 864 CB SER A 700 7.436 -8.519 12.813 1.00 0.00 C ATOM 865 OG SER A 700 7.082 -8.621 14.181 1.00 0.00 O ATOM 0 H SER A 700 5.272 -7.418 11.722 1.00 0.00 H new ATOM 0 HA SER A 700 7.739 -6.399 13.000 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.819 -9.197 12.223 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.472 -8.831 12.678 1.00 0.00 H new ATOM 0 HG SER A 700 7.202 -9.546 14.482 1.00 0.00 H new ATOM 871 N PRO A 701 9.196 -6.515 10.944 1.00 0.00 N ATOM 872 CA PRO A 701 9.970 -6.320 9.714 1.00 0.00 C ATOM 873 C PRO A 701 10.305 -7.638 9.025 1.00 0.00 C ATOM 874 O PRO A 701 10.772 -7.652 7.887 1.00 0.00 O ATOM 875 CB PRO A 701 11.247 -5.633 10.204 1.00 0.00 C ATOM 876 CG PRO A 701 11.381 -6.053 11.627 1.00 0.00 C ATOM 877 CD PRO A 701 9.979 -6.198 12.150 1.00 0.00 C ATOM 0 HA PRO A 701 9.418 -5.744 8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 701 12.112 -5.941 9.617 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.172 -4.549 10.117 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.926 -6.993 11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.937 -5.312 12.202 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.908 -6.991 12.895 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.631 -5.281 12.626 1.00 0.00 H new ATOM 885 N GLU A 702 10.063 -8.744 9.722 1.00 0.00 N ATOM 886 CA GLU A 702 10.340 -10.067 9.176 1.00 0.00 C ATOM 887 C GLU A 702 9.193 -10.539 8.286 1.00 0.00 C ATOM 888 O GLU A 702 9.403 -11.279 7.325 1.00 0.00 O ATOM 889 CB GLU A 702 10.569 -11.072 10.306 1.00 0.00 C ATOM 890 CG GLU A 702 9.305 -11.431 11.068 1.00 0.00 C ATOM 891 CD GLU A 702 8.501 -12.520 10.385 1.00 0.00 C ATOM 892 OE1 GLU A 702 8.884 -12.927 9.268 1.00 0.00 O ATOM 893 OE2 GLU A 702 7.489 -12.964 10.966 1.00 0.00 O ATOM 0 H GLU A 702 9.676 -8.750 10.666 1.00 0.00 H new ATOM 0 HA GLU A 702 11.244 -10.000 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.002 -11.981 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.299 -10.661 11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.572 -11.758 12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.685 -10.541 11.176 1.00 0.00 H new ATOM 900 N VAL A 703 7.980 -10.106 8.614 1.00 0.00 N ATOM 901 CA VAL A 703 6.800 -10.483 7.846 1.00 0.00 C ATOM 902 C VAL A 703 6.831 -9.865 6.452 1.00 0.00 C ATOM 903 O VAL A 703 6.775 -10.572 5.447 1.00 0.00 O ATOM 904 CB VAL A 703 5.505 -10.050 8.558 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.301 -10.261 7.652 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.338 -10.810 9.866 1.00 0.00 C ATOM 0 H VAL A 703 7.789 -9.493 9.407 1.00 0.00 H new ATOM 0 HA VAL A 703 6.813 -11.569 7.759 1.00 0.00 H new ATOM 0 HB VAL A 703 5.575 -8.987 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.395 -9.949 8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.420 -9.669 6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.224 -11.316 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.418 -10.492 10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.289 -11.880 9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.187 -10.603 10.518 1.00 0.00 H new ATOM 916 N ALA A 704 6.921 -8.540 6.401 1.00 0.00 N ATOM 917 CA ALA A 704 6.962 -7.826 5.130 1.00 0.00 C ATOM 918 C ALA A 704 7.904 -8.511 4.146 1.00 0.00 C ATOM 919 O ALA A 704 7.494 -8.910 3.057 1.00 0.00 O ATOM 920 CB ALA A 704 7.385 -6.381 5.350 1.00 0.00 C ATOM 0 H ALA A 704 6.967 -7.939 7.224 1.00 0.00 H new ATOM 0 HA ALA A 704 5.960 -7.838 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.411 -5.860 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.671 -5.890 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.376 -6.357 5.804 1.00 0.00 H new ATOM 926 N GLU A 705 9.168 -8.642 4.537 1.00 0.00 N ATOM 927 CA GLU A 705 10.168 -9.277 3.687 1.00 0.00 C ATOM 928 C GLU A 705 9.616 -10.553 3.057 1.00 0.00 C ATOM 929 O GLU A 705 9.924 -10.875 1.910 1.00 0.00 O ATOM 930 CB GLU A 705 11.427 -9.598 4.495 1.00 0.00 C ATOM 931 CG GLU A 705 12.409 -8.441 4.576 1.00 0.00 C ATOM 932 CD GLU A 705 13.769 -8.866 5.095 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.529 -9.491 4.325 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.074 -8.575 6.270 1.00 0.00 O ATOM 0 H GLU A 705 9.523 -8.317 5.436 1.00 0.00 H new ATOM 0 HA GLU A 705 10.425 -8.580 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.136 -9.888 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 705 11.927 -10.457 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.524 -7.997 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.001 -7.668 5.227 1.00 0.00 H new ATOM 941 N ARG A 706 8.798 -11.275 3.817 1.00 0.00 N ATOM 942 CA ARG A 706 8.204 -12.516 3.336 1.00 0.00 C ATOM 943 C ARG A 706 7.049 -12.230 2.381 1.00 0.00 C ATOM 944 O ARG A 706 7.112 -12.562 1.197 1.00 0.00 O ATOM 945 CB ARG A 706 7.711 -13.360 4.512 1.00 0.00 C ATOM 946 CG ARG A 706 7.375 -14.794 4.134 1.00 0.00 C ATOM 947 CD ARG A 706 6.670 -15.518 5.270 1.00 0.00 C ATOM 948 NE ARG A 706 7.591 -15.879 6.345 1.00 0.00 N ATOM 949 CZ ARG A 706 7.224 -16.540 7.437 1.00 0.00 C ATOM 950 NH1 ARG A 706 5.962 -16.911 7.598 1.00 0.00 N ATOM 951 NH2 ARG A 706 8.121 -16.831 8.370 1.00 0.00 N ATOM 0 H ARG A 706 8.532 -11.021 4.768 1.00 0.00 H new ATOM 0 HA ARG A 706 8.971 -13.072 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.476 -13.368 5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.826 -12.889 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.740 -14.799 3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.290 -15.327 3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 706 5.879 -14.883 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 706 6.192 -16.419 4.884 1.00 0.00 H new ATOM 0 HE ARG A 706 8.570 -15.608 6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 706 5.270 -16.689 6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 706 5.683 -17.419 8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 706 9.093 -16.547 8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 706 7.838 -17.339 9.208 1.00 0.00 H new ATOM 965 N ALA A 707 5.994 -11.615 2.904 1.00 0.00 N ATOM 966 CA ALA A 707 4.825 -11.284 2.099 1.00 0.00 C ATOM 967 C ALA A 707 5.233 -10.798 0.712 1.00 0.00 C ATOM 968 O ALA A 707 4.547 -11.063 -0.276 1.00 0.00 O ATOM 969 CB ALA A 707 3.980 -10.231 2.801 1.00 0.00 C ATOM 0 H ALA A 707 5.925 -11.336 3.883 1.00 0.00 H new ATOM 0 HA ALA A 707 4.231 -12.190 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.111 -9.994 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.650 -10.614 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.574 -9.330 2.952 1.00 0.00 H new ATOM 975 N CYS A 708 6.353 -10.087 0.646 1.00 0.00 N ATOM 976 CA CYS A 708 6.852 -9.564 -0.621 1.00 0.00 C ATOM 977 C CYS A 708 6.963 -10.672 -1.662 1.00 0.00 C ATOM 978 O CYS A 708 6.377 -10.584 -2.741 1.00 0.00 O ATOM 979 CB CYS A 708 8.215 -8.898 -0.420 1.00 0.00 C ATOM 980 SG CYS A 708 8.135 -7.280 0.383 1.00 0.00 S ATOM 0 H CYS A 708 6.932 -9.860 1.454 1.00 0.00 H new ATOM 0 HA CYS A 708 6.142 -8.821 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.845 -9.557 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.700 -8.787 -1.390 1.00 0.00 H new ATOM 0 HG CYS A 708 7.884 -7.436 1.649 1.00 0.00 H new ATOM 986 N ARG A 709 7.719 -11.714 -1.332 1.00 0.00 N ATOM 987 CA ARG A 709 7.908 -12.839 -2.240 1.00 0.00 C ATOM 988 C ARG A 709 6.631 -13.666 -2.356 1.00 0.00 C ATOM 989 O ARG A 709 6.274 -14.125 -3.440 1.00 0.00 O ATOM 990 CB ARG A 709 9.059 -13.724 -1.756 1.00 0.00 C ATOM 991 CG ARG A 709 10.424 -13.066 -1.872 1.00 0.00 C ATOM 992 CD ARG A 709 10.781 -12.296 -0.611 1.00 0.00 C ATOM 993 NE ARG A 709 10.790 -13.155 0.570 1.00 0.00 N ATOM 994 CZ ARG A 709 11.781 -13.991 0.863 1.00 0.00 C ATOM 995 NH1 ARG A 709 12.836 -14.079 0.065 1.00 0.00 N ATOM 996 NH2 ARG A 709 11.717 -14.740 1.957 1.00 0.00 N ATOM 0 H ARG A 709 8.211 -11.803 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 709 8.153 -12.441 -3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 709 8.884 -13.996 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.061 -14.650 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 709 11.181 -13.827 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.431 -12.390 -2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 709 11.762 -11.836 -0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 709 10.065 -11.487 -0.465 1.00 0.00 H new ATOM 0 HE ARG A 709 9.993 -13.111 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 709 12.889 -13.504 -0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 709 13.595 -14.721 0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 709 10.907 -14.674 2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 709 12.478 -15.381 2.181 1.00 0.00 H new ATOM 1010 N MET A 710 5.947 -13.850 -1.231 1.00 0.00 N ATOM 1011 CA MET A 710 4.709 -14.620 -1.207 1.00 0.00 C ATOM 1012 C MET A 710 3.627 -13.936 -2.036 1.00 0.00 C ATOM 1013 O MET A 710 2.595 -14.533 -2.341 1.00 0.00 O ATOM 1014 CB MET A 710 4.225 -14.804 0.233 1.00 0.00 C ATOM 1015 CG MET A 710 4.866 -15.985 0.943 1.00 0.00 C ATOM 1016 SD MET A 710 3.784 -16.718 2.185 1.00 0.00 S ATOM 1017 CE MET A 710 3.939 -15.528 3.514 1.00 0.00 C ATOM 0 H MET A 710 6.229 -13.476 -0.325 1.00 0.00 H new ATOM 0 HA MET A 710 4.911 -15.599 -1.642 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.434 -13.895 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.143 -14.936 0.230 1.00 0.00 H new ATOM 0 HG2 MET A 710 5.135 -16.743 0.208 1.00 0.00 H new ATOM 0 HG3 MET A 710 5.791 -15.660 1.419 1.00 0.00 H new ATOM 0 HE1 MET A 710 4.336 -16.022 4.401 1.00 0.00 H new ATOM 0 HE2 MET A 710 4.615 -14.729 3.210 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.960 -15.107 3.742 1.00 0.00 H new ATOM 1027 N MET A 711 3.870 -12.681 -2.398 1.00 0.00 N ATOM 1028 CA MET A 711 2.916 -11.916 -3.193 1.00 0.00 C ATOM 1029 C MET A 711 3.533 -11.490 -4.521 1.00 0.00 C ATOM 1030 O MET A 711 2.824 -11.110 -5.452 1.00 0.00 O ATOM 1031 CB MET A 711 2.445 -10.685 -2.417 1.00 0.00 C ATOM 1032 CG MET A 711 1.691 -11.022 -1.141 1.00 0.00 C ATOM 1033 SD MET A 711 0.353 -12.199 -1.415 1.00 0.00 S ATOM 1034 CE MET A 711 -1.070 -11.201 -0.983 1.00 0.00 C ATOM 0 H MET A 711 4.719 -12.172 -2.154 1.00 0.00 H new ATOM 0 HA MET A 711 2.058 -12.556 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.310 -10.071 -2.167 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.803 -10.084 -3.061 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.387 -11.433 -0.410 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.283 -10.107 -0.713 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.945 -11.563 -1.522 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.251 -11.270 0.090 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.881 -10.162 -1.253 1.00 0.00 H new ATOM 1044 N ASN A 712 4.858 -11.556 -4.601 1.00 0.00 N ATOM 1045 CA ASN A 712 5.570 -11.175 -5.816 1.00 0.00 C ATOM 1046 C ASN A 712 5.062 -11.969 -7.015 1.00 0.00 C ATOM 1047 O ASN A 712 5.098 -13.199 -7.019 1.00 0.00 O ATOM 1048 CB ASN A 712 7.074 -11.398 -5.641 1.00 0.00 C ATOM 1049 CG ASN A 712 7.504 -12.790 -6.062 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.821 -13.634 -5.223 1.00 0.00 O ATOM 1051 ND2 ASN A 712 7.517 -13.037 -7.367 1.00 0.00 N ATOM 0 H ASN A 712 5.460 -11.869 -3.840 1.00 0.00 H new ATOM 0 HA ASN A 712 5.386 -10.117 -6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.619 -10.659 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.344 -11.237 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 712 7.798 -13.956 -7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 712 7.246 -12.308 -8.027 1.00 0.00 H new ATOM 1058 N GLY A 713 4.590 -11.256 -8.033 1.00 0.00 N ATOM 1059 CA GLY A 713 4.083 -11.911 -9.225 1.00 0.00 C ATOM 1060 C GLY A 713 2.700 -12.497 -9.020 1.00 0.00 C ATOM 1061 O GLY A 713 2.229 -13.292 -9.833 1.00 0.00 O ATOM 0 H GLY A 713 4.550 -10.237 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.052 -11.194 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 713 4.770 -12.704 -9.520 1.00 0.00 H new ATOM 1065 N MET A 714 2.048 -12.105 -7.930 1.00 0.00 N ATOM 1066 CA MET A 714 0.711 -12.598 -7.620 1.00 0.00 C ATOM 1067 C MET A 714 -0.278 -12.209 -8.715 1.00 0.00 C ATOM 1068 O MET A 714 -0.803 -11.095 -8.725 1.00 0.00 O ATOM 1069 CB MET A 714 0.241 -12.048 -6.273 1.00 0.00 C ATOM 1070 CG MET A 714 -1.191 -12.424 -5.929 1.00 0.00 C ATOM 1071 SD MET A 714 -1.584 -12.149 -4.191 1.00 0.00 S ATOM 1072 CE MET A 714 -1.956 -10.397 -4.201 1.00 0.00 C ATOM 0 H MET A 714 2.424 -11.447 -7.247 1.00 0.00 H new ATOM 0 HA MET A 714 0.755 -13.686 -7.564 1.00 0.00 H new ATOM 0 HB2 MET A 714 0.903 -12.416 -5.489 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.330 -10.962 -6.282 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.874 -11.842 -6.548 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.355 -13.474 -6.173 1.00 0.00 H new ATOM 0 HE1 MET A 714 -1.342 -9.891 -3.456 1.00 0.00 H new ATOM 0 HE2 MET A 714 -1.743 -9.985 -5.187 1.00 0.00 H new ATOM 0 HE3 MET A 714 -3.010 -10.247 -3.966 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.529 -13.134 -9.635 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.456 -12.889 -10.734 1.00 0.00 C ATOM 1084 C LYS A 715 -2.813 -12.431 -10.209 1.00 0.00 C ATOM 1085 O LYS A 715 -3.618 -13.241 -9.749 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.625 -14.155 -11.577 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.661 -14.238 -12.748 1.00 0.00 C ATOM 1088 CD LYS A 715 -1.233 -13.575 -13.990 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.678 -14.199 -15.261 1.00 0.00 C ATOM 1090 NZ LYS A 715 -1.365 -13.683 -16.478 1.00 0.00 N ATOM 0 H LYS A 715 -0.103 -14.061 -9.642 1.00 0.00 H new ATOM 0 HA LYS A 715 -1.041 -12.097 -11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.485 -15.028 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.647 -14.197 -11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.281 -13.759 -12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.437 -15.283 -12.963 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -2.319 -13.665 -13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -1.001 -12.510 -13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 715 0.390 -13.991 -15.331 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -0.790 -15.282 -15.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -0.958 -14.132 -17.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -2.380 -13.903 -16.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -1.237 -12.653 -16.538 1.00 0.00 H new ATOM 1104 N LEU A 716 -3.060 -11.128 -10.282 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.321 -10.561 -9.815 1.00 0.00 C ATOM 1106 C LEU A 716 -5.267 -10.302 -10.983 1.00 0.00 C ATOM 1107 O LEU A 716 -4.923 -9.592 -11.928 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.067 -9.261 -9.051 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.509 -9.411 -7.636 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.249 -8.047 -7.016 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.463 -10.220 -6.769 1.00 0.00 C ATOM 0 H LEU A 716 -2.404 -10.444 -10.660 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.789 -11.282 -9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.373 -8.652 -9.631 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.005 -8.708 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.561 -9.946 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.852 -8.175 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.527 -7.503 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.182 -7.485 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.049 -10.317 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.426 -9.713 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -4.597 -11.211 -7.203 1.00 0.00 H new ATOM 1123 N SER A 717 -6.461 -10.882 -10.911 1.00 0.00 N ATOM 1124 CA SER A 717 -7.457 -10.715 -11.963 1.00 0.00 C ATOM 1125 C SER A 717 -6.796 -10.695 -13.338 1.00 0.00 C ATOM 1126 O SER A 717 -7.162 -9.901 -14.204 1.00 0.00 O ATOM 1127 CB SER A 717 -8.248 -9.424 -11.746 1.00 0.00 C ATOM 1128 OG SER A 717 -9.531 -9.506 -12.340 1.00 0.00 O ATOM 0 H SER A 717 -6.762 -11.472 -10.135 1.00 0.00 H new ATOM 0 HA SER A 717 -8.141 -11.563 -11.920 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.350 -9.232 -10.678 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.700 -8.583 -12.171 1.00 0.00 H new ATOM 0 HG SER A 717 -10.017 -8.669 -12.186 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.818 -11.576 -13.531 1.00 0.00 N ATOM 1135 CA GLY A 718 -5.121 -11.643 -14.802 1.00 0.00 C ATOM 1136 C GLY A 718 -4.111 -10.525 -14.969 1.00 0.00 C ATOM 1137 O GLY A 718 -3.898 -10.033 -16.077 1.00 0.00 O ATOM 0 H GLY A 718 -5.497 -12.244 -12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.612 -12.603 -14.884 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.847 -11.597 -15.614 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.488 -10.123 -13.866 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.497 -9.054 -13.895 1.00 0.00 C ATOM 1143 C ARG A 719 -1.408 -9.294 -12.853 1.00 0.00 C ATOM 1144 O ARG A 719 -1.660 -9.216 -11.651 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.167 -7.702 -13.647 1.00 0.00 C ATOM 1146 CG ARG A 719 -3.715 -7.054 -14.908 1.00 0.00 C ATOM 1147 CD ARG A 719 -4.856 -6.099 -14.593 1.00 0.00 C ATOM 1148 NE ARG A 719 -4.973 -5.038 -15.589 1.00 0.00 N ATOM 1149 CZ ARG A 719 -4.153 -3.995 -15.651 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -3.161 -3.875 -14.780 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -4.324 -3.070 -16.587 1.00 0.00 N ATOM 0 H ARG A 719 -3.652 -10.521 -12.941 1.00 0.00 H new ATOM 0 HA ARG A 719 -2.035 -9.047 -14.882 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.980 -7.834 -12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.445 -7.027 -13.186 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -2.917 -6.514 -15.417 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.064 -7.827 -15.593 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -5.792 -6.656 -14.545 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -4.697 -5.657 -13.609 1.00 0.00 H new ATOM 0 HE ARG A 719 -5.726 -5.101 -16.275 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -3.026 -4.585 -14.060 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -2.533 -3.073 -14.830 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -5.086 -3.160 -17.260 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -3.694 -2.269 -16.634 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.199 -9.585 -13.323 1.00 0.00 N ATOM 1166 CA GLU A 720 0.926 -9.837 -12.431 1.00 0.00 C ATOM 1167 C GLU A 720 1.345 -8.559 -11.709 1.00 0.00 C ATOM 1168 O GLU A 720 1.620 -7.538 -12.341 1.00 0.00 O ATOM 1169 CB GLU A 720 2.111 -10.403 -13.216 1.00 0.00 C ATOM 1170 CG GLU A 720 2.062 -11.912 -13.387 1.00 0.00 C ATOM 1171 CD GLU A 720 2.859 -12.390 -14.585 1.00 0.00 C ATOM 1172 OE1 GLU A 720 2.440 -12.106 -15.727 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.901 -13.047 -14.381 1.00 0.00 O ATOM 0 H GLU A 720 0.026 -9.652 -14.316 1.00 0.00 H new ATOM 0 HA GLU A 720 0.610 -10.568 -11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.141 -9.935 -14.200 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.036 -10.133 -12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.447 -12.389 -12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.025 -12.228 -13.496 1.00 0.00 H new ATOM 1180 N ILE A 721 1.390 -8.623 -10.383 1.00 0.00 N ATOM 1181 CA ILE A 721 1.775 -7.473 -9.575 1.00 0.00 C ATOM 1182 C ILE A 721 3.229 -7.576 -9.130 1.00 0.00 C ATOM 1183 O ILE A 721 3.814 -8.659 -9.129 1.00 0.00 O ATOM 1184 CB ILE A 721 0.877 -7.332 -8.331 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.104 -8.506 -7.377 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.586 -7.250 -8.741 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.612 -8.245 -5.970 1.00 0.00 C ATOM 0 H ILE A 721 1.164 -9.460 -9.845 1.00 0.00 H new ATOM 0 HA ILE A 721 1.652 -6.591 -10.203 1.00 0.00 H new ATOM 0 HB ILE A 721 1.141 -6.410 -7.812 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.599 -9.388 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.169 -8.736 -7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.208 -7.151 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.735 -6.384 -9.387 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.864 -8.156 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.805 -9.120 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 721 1.135 -7.383 -5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.459 -8.044 -5.990 1.00 0.00 H new ATOM 1199 N ASP A 722 3.808 -6.442 -8.749 1.00 0.00 N ATOM 1200 CA ASP A 722 5.194 -6.405 -8.298 1.00 0.00 C ATOM 1201 C ASP A 722 5.276 -6.001 -6.829 1.00 0.00 C ATOM 1202 O ASP A 722 5.021 -4.850 -6.475 1.00 0.00 O ATOM 1203 CB ASP A 722 6.005 -5.430 -9.153 1.00 0.00 C ATOM 1204 CG ASP A 722 6.446 -6.043 -10.468 1.00 0.00 C ATOM 1205 OD1 ASP A 722 5.595 -6.188 -11.369 1.00 0.00 O ATOM 1206 OD2 ASP A 722 7.643 -6.378 -10.595 1.00 0.00 O ATOM 0 H ASP A 722 3.339 -5.536 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 722 5.612 -7.406 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.406 -4.541 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 722 6.883 -5.105 -8.595 1.00 0.00 H new ATOM 1211 N VAL A 723 5.634 -6.957 -5.977 1.00 0.00 N ATOM 1212 CA VAL A 723 5.750 -6.702 -4.546 1.00 0.00 C ATOM 1213 C VAL A 723 7.209 -6.703 -4.104 1.00 0.00 C ATOM 1214 O VAL A 723 7.958 -7.633 -4.404 1.00 0.00 O ATOM 1215 CB VAL A 723 4.976 -7.750 -3.725 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.807 -7.283 -2.287 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.625 -8.035 -4.363 1.00 0.00 C ATOM 0 H VAL A 723 5.849 -7.915 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 723 5.319 -5.718 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 723 5.551 -8.676 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.258 -8.036 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.788 -7.134 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.254 -6.344 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.092 -8.778 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.041 -7.116 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.773 -8.416 -5.373 1.00 0.00 H new ATOM 1227 N ARG A 724 7.606 -5.655 -3.390 1.00 0.00 N ATOM 1228 CA ARG A 724 8.977 -5.535 -2.907 1.00 0.00 C ATOM 1229 C ARG A 724 9.049 -4.596 -1.706 1.00 0.00 C ATOM 1230 O ARG A 724 8.163 -3.766 -1.500 1.00 0.00 O ATOM 1231 CB ARG A 724 9.890 -5.024 -4.023 1.00 0.00 C ATOM 1232 CG ARG A 724 10.115 -6.035 -5.136 1.00 0.00 C ATOM 1233 CD ARG A 724 11.450 -5.812 -5.829 1.00 0.00 C ATOM 1234 NE ARG A 724 12.578 -6.003 -4.921 1.00 0.00 N ATOM 1235 CZ ARG A 724 13.847 -5.993 -5.313 1.00 0.00 C ATOM 1236 NH1 ARG A 724 14.148 -5.802 -6.590 1.00 0.00 N ATOM 1237 NH2 ARG A 724 14.818 -6.175 -4.426 1.00 0.00 N ATOM 0 H ARG A 724 6.998 -4.877 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 724 9.314 -6.523 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.458 -4.118 -4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.853 -4.747 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 724 10.081 -7.044 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.308 -5.961 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 724 11.541 -6.500 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 724 11.481 -4.802 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 724 12.380 -6.152 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 724 13.404 -5.662 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 724 15.123 -5.795 -6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 724 14.590 -6.323 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 724 15.792 -6.167 -4.728 1.00 0.00 H new ATOM 1251 N ILE A 725 10.110 -4.733 -0.918 1.00 0.00 N ATOM 1252 CA ILE A 725 10.298 -3.897 0.261 1.00 0.00 C ATOM 1253 C ILE A 725 10.161 -2.418 -0.086 1.00 0.00 C ATOM 1254 O ILE A 725 10.691 -1.956 -1.097 1.00 0.00 O ATOM 1255 CB ILE A 725 11.675 -4.136 0.907 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.749 -5.546 1.496 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.945 -3.093 1.981 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.774 -5.780 2.629 1.00 0.00 C ATOM 0 H ILE A 725 10.852 -5.415 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 725 9.520 -4.174 0.972 1.00 0.00 H new ATOM 0 HB ILE A 725 12.441 -4.043 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.556 -6.272 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.762 -5.728 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.922 -3.276 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.930 -2.099 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 725 11.176 -3.156 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.882 -6.800 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.980 -5.078 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.756 -5.630 2.270 1.00 0.00 H new ATOM 1270 N ASP A 726 9.450 -1.681 0.760 1.00 0.00 N ATOM 1271 CA ASP A 726 9.246 -0.254 0.545 1.00 0.00 C ATOM 1272 C ASP A 726 10.455 0.546 1.021 1.00 0.00 C ATOM 1273 O ASP A 726 10.535 0.932 2.187 1.00 0.00 O ATOM 1274 CB ASP A 726 7.987 0.219 1.274 1.00 0.00 C ATOM 1275 CG ASP A 726 7.530 1.588 0.811 1.00 0.00 C ATOM 1276 OD1 ASP A 726 8.398 2.453 0.569 1.00 0.00 O ATOM 1277 OD2 ASP A 726 6.304 1.796 0.692 1.00 0.00 O ATOM 0 H ASP A 726 9.005 -2.049 1.601 1.00 0.00 H new ATOM 0 HA ASP A 726 9.121 -0.088 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.185 -0.502 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.181 0.247 2.346 1.00 0.00 H new