USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 711 MET CE :methyl 150:sc= -1.28 (180deg=-2.11!) USER MOD Set 1.2: A 714 MET CE :methyl -123:sc= -2.62 (180deg=-6.05!) USER MOD Set 2.1: A 680 TYR OH : rot 180:sc= 0.603 USER MOD Set 2.2: A 684 LYS NZ :NH3+ -163:sc= 0.659 (180deg=-0.0339) USER MOD Set 3.1: A 675 CYS SG : rot 150:sc= -0.0262 USER MOD Set 3.2: A 710 MET CE :methyl 162:sc= -0.0607 (180deg=-0.521) USER MOD Single : A 652 CYS SG : rot 56:sc= -0.12 USER MOD Single : A 653 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.9!) USER MOD Single : A 658 ASN :FLIP amide:sc= -0.914 F(o=-2!,f=-0.91) 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 132:sc= -0.0226 (180deg=-1.13) 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= -1.98 F(o=-4.7,f=-2) USER MOD Single : A 677 HIS :FLIP no HD1:sc= -0.74 F(o=-2.6!,f=-0.74) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -1.85 USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 SER OG : rot 180:sc= -0.829 USER MOD Single : A 708 CYS SG : rot 40:sc= -1.35 USER MOD Single : A 712 ASN :FLIP amide:sc= -0.809 F(o=-1.5!,f=-0.81) USER MOD Single : A 715 LYS NZ :NH3+ 155:sc= -0.0707 (180deg=-0.442) USER MOD Single : A 717 SER OG : rot -50:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.314 -2.769 7.848 1.00 0.00 N ATOM 77 CA CYS A 652 7.939 -3.166 8.127 1.00 0.00 C ATOM 78 C CYS A 652 6.972 -2.494 7.158 1.00 0.00 C ATOM 79 O CYS A 652 5.948 -1.947 7.567 1.00 0.00 O ATOM 80 CB CYS A 652 7.566 -2.810 9.567 1.00 0.00 C ATOM 81 SG CYS A 652 7.612 -1.038 9.925 1.00 0.00 S ATOM 0 HA CYS A 652 7.865 -4.246 7.996 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.564 -3.186 9.775 1.00 0.00 H new ATOM 0 HB3 CYS A 652 8.247 -3.325 10.245 1.00 0.00 H new ATOM 0 HG CYS A 652 6.847 -0.406 9.085 1.00 0.00 H new ATOM 87 N GLN A 653 7.305 -2.538 5.872 1.00 0.00 N ATOM 88 CA GLN A 653 6.466 -1.932 4.844 1.00 0.00 C ATOM 89 C GLN A 653 6.843 -2.448 3.460 1.00 0.00 C ATOM 90 O GLN A 653 8.000 -2.785 3.206 1.00 0.00 O ATOM 91 CB GLN A 653 6.595 -0.408 4.886 1.00 0.00 C ATOM 92 CG GLN A 653 5.923 0.291 3.715 1.00 0.00 C ATOM 93 CD GLN A 653 5.577 1.735 4.018 1.00 0.00 C ATOM 94 OE1 GLN A 653 5.737 2.200 5.147 1.00 0.00 O ATOM 95 NE2 GLN A 653 5.099 2.454 3.009 1.00 0.00 N ATOM 0 H GLN A 653 8.149 -2.987 5.517 1.00 0.00 H new ATOM 0 HA GLN A 653 5.431 -2.208 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 653 6.161 -0.040 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.652 -0.141 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 653 6.582 0.254 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 653 5.014 -0.248 3.448 1.00 0.00 H new ATOM 0 HE21 GLN A 653 4.983 2.028 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.848 3.432 3.154 1.00 0.00 H new ATOM 104 N ILE A 654 5.859 -2.509 2.569 1.00 0.00 N ATOM 105 CA ILE A 654 6.088 -2.984 1.210 1.00 0.00 C ATOM 106 C ILE A 654 5.298 -2.160 0.199 1.00 0.00 C ATOM 107 O ILE A 654 4.487 -1.311 0.572 1.00 0.00 O ATOM 108 CB ILE A 654 5.702 -4.467 1.059 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.197 -4.649 1.265 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.484 -5.321 2.047 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.719 -6.063 1.020 1.00 0.00 C ATOM 0 H ILE A 654 4.896 -2.236 2.764 1.00 0.00 H new ATOM 0 HA ILE A 654 7.154 -2.872 1.013 1.00 0.00 H new ATOM 0 HB ILE A 654 5.953 -4.791 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.941 -4.359 2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.663 -3.973 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.200 -6.367 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.552 -5.211 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.261 -4.998 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.643 -6.117 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.944 -6.350 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.226 -6.742 1.706 1.00 0.00 H new ATOM 123 N PHE A 655 5.538 -2.416 -1.082 1.00 0.00 N ATOM 124 CA PHE A 655 4.849 -1.698 -2.148 1.00 0.00 C ATOM 125 C PHE A 655 4.274 -2.670 -3.175 1.00 0.00 C ATOM 126 O PHE A 655 4.869 -3.708 -3.465 1.00 0.00 O ATOM 127 CB PHE A 655 5.804 -0.720 -2.834 1.00 0.00 C ATOM 128 CG PHE A 655 5.105 0.419 -3.521 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.514 0.239 -4.761 1.00 0.00 C ATOM 130 CD2 PHE A 655 5.039 1.668 -2.926 1.00 0.00 C ATOM 131 CE1 PHE A 655 3.871 1.285 -5.396 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.396 2.718 -3.555 1.00 0.00 C ATOM 133 CZ PHE A 655 3.811 2.526 -4.791 1.00 0.00 C ATOM 0 H PHE A 655 6.205 -3.116 -1.408 1.00 0.00 H new ATOM 0 HA PHE A 655 4.026 -1.139 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.494 -0.318 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.403 -1.262 -3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 655 4.556 -0.730 -5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.495 1.824 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.416 1.133 -6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.351 3.687 -3.080 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.307 3.344 -5.284 1.00 0.00 H new ATOM 143 N VAL A 656 3.113 -2.325 -3.722 1.00 0.00 N ATOM 144 CA VAL A 656 2.457 -3.166 -4.716 1.00 0.00 C ATOM 145 C VAL A 656 2.122 -2.370 -5.973 1.00 0.00 C ATOM 146 O VAL A 656 1.686 -1.222 -5.895 1.00 0.00 O ATOM 147 CB VAL A 656 1.164 -3.791 -4.158 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.580 -4.785 -5.151 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.432 -4.458 -2.818 1.00 0.00 C ATOM 0 H VAL A 656 2.607 -1.469 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 656 3.157 -3.963 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 656 0.433 -2.997 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.333 -5.216 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.351 -4.273 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.303 -5.578 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.508 -4.894 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.179 -5.242 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.801 -3.716 -2.110 1.00 0.00 H new ATOM 159 N ARG A 657 2.328 -2.990 -7.131 1.00 0.00 N ATOM 160 CA ARG A 657 2.048 -2.339 -8.405 1.00 0.00 C ATOM 161 C ARG A 657 1.276 -3.272 -9.334 1.00 0.00 C ATOM 162 O ARG A 657 1.343 -4.493 -9.200 1.00 0.00 O ATOM 163 CB ARG A 657 3.352 -1.900 -9.075 1.00 0.00 C ATOM 164 CG ARG A 657 4.068 -0.781 -8.337 1.00 0.00 C ATOM 165 CD ARG A 657 5.068 -0.071 -9.237 1.00 0.00 C ATOM 166 NE ARG A 657 4.440 0.982 -10.030 1.00 0.00 N ATOM 167 CZ ARG A 657 4.218 2.210 -9.575 1.00 0.00 C ATOM 168 NH1 ARG A 657 4.572 2.538 -8.340 1.00 0.00 N ATOM 169 NH2 ARG A 657 3.641 3.114 -10.357 1.00 0.00 N ATOM 0 H ARG A 657 2.687 -3.941 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 657 1.434 -1.460 -8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 657 4.019 -2.759 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 657 3.136 -1.573 -10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.337 -0.063 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 657 4.584 -1.189 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.862 0.359 -8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 657 5.535 -0.797 -9.903 1.00 0.00 H new ATOM 0 HE ARG A 657 4.156 0.763 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 657 5.016 1.846 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 657 4.400 3.482 -7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 657 3.368 2.866 -11.308 1.00 0.00 H new ATOM 0 HH22 ARG A 657 3.471 4.057 -10.007 1.00 0.00 H new ATOM 183 N ASN A 658 0.543 -2.687 -10.276 1.00 0.00 N ATOM 184 CA ASN A 658 -0.243 -3.465 -11.226 1.00 0.00 C ATOM 185 C ASN A 658 -1.438 -4.119 -10.538 1.00 0.00 C ATOM 186 O ASN A 658 -1.649 -5.327 -10.651 1.00 0.00 O ATOM 187 CB ASN A 658 0.629 -4.536 -11.884 1.00 0.00 C ATOM 188 CG ASN A 658 0.155 -4.889 -13.281 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.513 -6.030 -13.409 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.388 -4.145 -14.234 1.00 0.00 N flip ATOM 0 H ASN A 658 0.477 -1.677 -10.402 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.615 -2.786 -11.993 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.659 -4.183 -11.931 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.627 -5.433 -11.265 1.00 0.00 H new ATOM 0 HD21 ASN A 658 0.905 -3.278 -14.089 1.00 0.00 H new ATOM 0 HD22 ASN A 658 0.064 -4.396 -15.168 1.00 0.00 H new ATOM 197 N LEU A 659 -2.217 -3.312 -9.825 1.00 0.00 N ATOM 198 CA LEU A 659 -3.391 -3.811 -9.118 1.00 0.00 C ATOM 199 C LEU A 659 -4.664 -3.524 -9.908 1.00 0.00 C ATOM 200 O LEU A 659 -4.792 -2.498 -10.576 1.00 0.00 O ATOM 201 CB LEU A 659 -3.484 -3.175 -7.730 1.00 0.00 C ATOM 202 CG LEU A 659 -2.515 -3.716 -6.678 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.402 -2.749 -5.510 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.963 -5.088 -6.195 1.00 0.00 C ATOM 0 H LEU A 659 -2.057 -2.310 -9.722 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.288 -4.891 -9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.317 -2.103 -7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.501 -3.306 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.531 -3.818 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.708 -3.150 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -2.034 -1.787 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.382 -2.615 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -2.262 -5.457 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.957 -5.012 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.992 -5.779 -7.038 1.00 0.00 H new ATOM 216 N PRO A 660 -5.631 -4.451 -9.829 1.00 0.00 N ATOM 217 CA PRO A 660 -6.913 -4.318 -10.527 1.00 0.00 C ATOM 218 C PRO A 660 -7.544 -2.945 -10.326 1.00 0.00 C ATOM 219 O PRO A 660 -7.463 -2.366 -9.242 1.00 0.00 O ATOM 220 CB PRO A 660 -7.780 -5.405 -9.886 1.00 0.00 C ATOM 221 CG PRO A 660 -6.811 -6.425 -9.399 1.00 0.00 C ATOM 222 CD PRO A 660 -5.548 -5.698 -9.051 1.00 0.00 C ATOM 0 HA PRO A 660 -6.802 -4.423 -11.606 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.377 -5.003 -9.067 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.476 -5.833 -10.608 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.207 -6.949 -8.529 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.624 -7.177 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.484 -5.498 -7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.666 -6.279 -9.320 1.00 0.00 H new ATOM 230 N PHE A 661 -8.174 -2.428 -11.376 1.00 0.00 N ATOM 231 CA PHE A 661 -8.818 -1.122 -11.314 1.00 0.00 C ATOM 232 C PHE A 661 -9.915 -1.106 -10.253 1.00 0.00 C ATOM 233 O PHE A 661 -10.264 -0.052 -9.721 1.00 0.00 O ATOM 234 CB PHE A 661 -9.408 -0.755 -12.678 1.00 0.00 C ATOM 235 CG PHE A 661 -8.374 -0.344 -13.687 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.543 0.739 -13.446 1.00 0.00 C ATOM 237 CD2 PHE A 661 -8.232 -1.040 -14.876 1.00 0.00 C ATOM 238 CE1 PHE A 661 -6.592 1.119 -14.373 1.00 0.00 C ATOM 239 CE2 PHE A 661 -7.282 -0.664 -15.807 1.00 0.00 C ATOM 240 CZ PHE A 661 -6.460 0.416 -15.554 1.00 0.00 C ATOM 0 H PHE A 661 -8.252 -2.894 -12.280 1.00 0.00 H new ATOM 0 HA PHE A 661 -8.062 -0.385 -11.042 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -9.964 -1.609 -13.066 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.122 0.058 -12.549 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.640 1.292 -12.523 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -8.871 -1.887 -15.078 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -5.952 1.966 -14.174 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -7.183 -1.214 -16.731 1.00 0.00 H new ATOM 0 HZ PHE A 661 -5.715 0.710 -16.279 1.00 0.00 H new ATOM 250 N ASP A 662 -10.453 -2.282 -9.950 1.00 0.00 N ATOM 251 CA ASP A 662 -11.510 -2.405 -8.952 1.00 0.00 C ATOM 252 C ASP A 662 -10.938 -2.836 -7.606 1.00 0.00 C ATOM 253 O ASP A 662 -11.676 -3.233 -6.704 1.00 0.00 O ATOM 254 CB ASP A 662 -12.566 -3.409 -9.418 1.00 0.00 C ATOM 255 CG ASP A 662 -12.208 -4.836 -9.051 1.00 0.00 C ATOM 256 OD1 ASP A 662 -11.014 -5.189 -9.140 1.00 0.00 O ATOM 257 OD2 ASP A 662 -13.123 -5.600 -8.677 1.00 0.00 O ATOM 0 H ASP A 662 -10.175 -3.164 -10.381 1.00 0.00 H new ATOM 0 HA ASP A 662 -11.978 -1.428 -8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -13.528 -3.153 -8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -12.684 -3.333 -10.499 1.00 0.00 H new ATOM 262 N PHE A 663 -9.617 -2.757 -7.477 1.00 0.00 N ATOM 263 CA PHE A 663 -8.946 -3.141 -6.241 1.00 0.00 C ATOM 264 C PHE A 663 -9.036 -2.026 -5.203 1.00 0.00 C ATOM 265 O PHE A 663 -8.538 -0.920 -5.418 1.00 0.00 O ATOM 266 CB PHE A 663 -7.479 -3.480 -6.517 1.00 0.00 C ATOM 267 CG PHE A 663 -6.915 -4.508 -5.579 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.473 -5.774 -5.501 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.826 -4.210 -4.776 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.956 -6.722 -4.638 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.304 -5.154 -3.911 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.869 -6.412 -3.844 1.00 0.00 C ATOM 0 H PHE A 663 -8.991 -2.431 -8.213 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.448 -4.023 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.385 -3.843 -7.540 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.884 -2.569 -6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.321 -6.023 -6.121 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.379 -3.228 -4.826 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.402 -7.704 -4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.456 -4.908 -3.289 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.462 -7.153 -3.172 1.00 0.00 H new ATOM 282 N THR A 664 -9.674 -2.325 -4.076 1.00 0.00 N ATOM 283 CA THR A 664 -9.832 -1.348 -3.006 1.00 0.00 C ATOM 284 C THR A 664 -8.899 -1.656 -1.840 1.00 0.00 C ATOM 285 O THR A 664 -8.292 -2.725 -1.784 1.00 0.00 O ATOM 286 CB THR A 664 -11.283 -1.309 -2.491 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.661 -2.596 -1.989 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.239 -0.890 -3.598 1.00 0.00 C ATOM 0 H THR A 664 -10.090 -3.236 -3.881 1.00 0.00 H new ATOM 0 HA THR A 664 -9.577 -0.375 -3.425 1.00 0.00 H new ATOM 0 HB THR A 664 -11.339 -0.576 -1.687 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.584 -2.561 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.258 -0.870 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 664 -11.967 0.103 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.178 -1.603 -4.421 1.00 0.00 H new ATOM 296 N TRP A 665 -8.791 -0.713 -0.911 1.00 0.00 N ATOM 297 CA TRP A 665 -7.932 -0.884 0.255 1.00 0.00 C ATOM 298 C TRP A 665 -8.319 -2.134 1.038 1.00 0.00 C ATOM 299 O TRP A 665 -7.468 -2.960 1.370 1.00 0.00 O ATOM 300 CB TRP A 665 -8.015 0.346 1.161 1.00 0.00 C ATOM 301 CG TRP A 665 -9.195 0.325 2.084 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.341 1.058 1.966 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.343 -0.467 3.267 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.193 0.769 3.004 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.605 -0.164 3.816 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.535 -1.405 3.915 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -11.073 -0.765 4.982 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -9.001 -2.000 5.072 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.260 -1.679 5.596 1.00 0.00 C ATOM 0 H TRP A 665 -9.287 0.178 -0.942 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.906 -1.000 -0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.102 0.415 1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.063 1.242 0.542 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.547 1.762 1.173 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.114 1.182 3.147 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.563 -1.660 3.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -12.043 -0.519 5.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.384 -2.725 5.581 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.595 -2.162 6.502 1.00 0.00 H new ATOM 320 N LYS A 666 -9.608 -2.268 1.330 1.00 0.00 N ATOM 321 CA LYS A 666 -10.109 -3.418 2.073 1.00 0.00 C ATOM 322 C LYS A 666 -9.529 -4.717 1.521 1.00 0.00 C ATOM 323 O LYS A 666 -8.943 -5.508 2.259 1.00 0.00 O ATOM 324 CB LYS A 666 -11.638 -3.464 2.012 1.00 0.00 C ATOM 325 CG LYS A 666 -12.252 -4.507 2.929 1.00 0.00 C ATOM 326 CD LYS A 666 -12.485 -3.955 4.325 1.00 0.00 C ATOM 327 CE LYS A 666 -12.385 -5.046 5.380 1.00 0.00 C ATOM 328 NZ LYS A 666 -13.678 -5.762 5.562 1.00 0.00 N ATOM 0 H LYS A 666 -10.325 -1.594 1.063 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.796 -3.313 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -12.033 -2.483 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.946 -3.667 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.198 -4.850 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.595 -5.375 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -11.753 -3.175 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -13.469 -3.490 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -11.612 -5.759 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -12.077 -4.607 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -13.568 -6.497 6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.410 -5.086 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -13.960 -6.203 4.663 1.00 0.00 H new ATOM 342 N MET A 667 -9.695 -4.928 0.220 1.00 0.00 N ATOM 343 CA MET A 667 -9.185 -6.130 -0.431 1.00 0.00 C ATOM 344 C MET A 667 -7.672 -6.232 -0.273 1.00 0.00 C ATOM 345 O MET A 667 -7.155 -7.233 0.224 1.00 0.00 O ATOM 346 CB MET A 667 -9.557 -6.129 -1.915 1.00 0.00 C ATOM 347 CG MET A 667 -10.924 -6.728 -2.199 1.00 0.00 C ATOM 348 SD MET A 667 -11.024 -7.487 -3.832 1.00 0.00 S ATOM 349 CE MET A 667 -11.184 -6.037 -4.870 1.00 0.00 C ATOM 0 H MET A 667 -10.179 -4.283 -0.405 1.00 0.00 H new ATOM 0 HA MET A 667 -9.642 -6.996 0.049 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.534 -5.104 -2.286 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.803 -6.686 -2.471 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.153 -7.476 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.682 -5.949 -2.118 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.484 -6.106 -5.702 1.00 0.00 H new ATOM 0 HE2 MET A 667 -12.202 -5.976 -5.256 1.00 0.00 H new ATOM 0 HE3 MET A 667 -10.964 -5.144 -4.284 1.00 0.00 H new ATOM 359 N LEU A 668 -6.965 -5.191 -0.700 1.00 0.00 N ATOM 360 CA LEU A 668 -5.510 -5.164 -0.607 1.00 0.00 C ATOM 361 C LEU A 668 -5.041 -5.697 0.743 1.00 0.00 C ATOM 362 O LEU A 668 -4.129 -6.521 0.815 1.00 0.00 O ATOM 363 CB LEU A 668 -4.992 -3.739 -0.813 1.00 0.00 C ATOM 364 CG LEU A 668 -3.574 -3.461 -0.312 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.558 -4.254 -1.120 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.267 -1.972 -0.380 1.00 0.00 C ATOM 0 H LEU A 668 -7.376 -4.355 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.109 -5.807 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.031 -3.510 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.674 -3.050 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.508 -3.778 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.555 -4.044 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.766 -5.319 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.625 -3.968 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.254 -1.793 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.351 -1.630 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.976 -1.426 0.242 1.00 0.00 H new ATOM 378 N LYS A 669 -5.671 -5.222 1.812 1.00 0.00 N ATOM 379 CA LYS A 669 -5.322 -5.653 3.161 1.00 0.00 C ATOM 380 C LYS A 669 -5.572 -7.148 3.337 1.00 0.00 C ATOM 381 O LYS A 669 -4.631 -7.938 3.422 1.00 0.00 O ATOM 382 CB LYS A 669 -6.129 -4.865 4.195 1.00 0.00 C ATOM 383 CG LYS A 669 -6.080 -5.464 5.590 1.00 0.00 C ATOM 384 CD LYS A 669 -6.838 -4.609 6.591 1.00 0.00 C ATOM 385 CE LYS A 669 -6.311 -4.806 8.005 1.00 0.00 C ATOM 386 NZ LYS A 669 -7.036 -3.956 8.990 1.00 0.00 N ATOM 0 H LYS A 669 -6.426 -4.538 1.770 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.260 -5.460 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.753 -3.843 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.167 -4.811 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.506 -6.467 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -5.042 -5.564 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.752 -3.559 6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.898 -4.862 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -6.410 -5.854 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -5.248 -4.568 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.648 -4.119 9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -6.920 -2.954 8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -8.047 -4.201 8.982 1.00 0.00 H new ATOM 400 N ASP A 670 -6.843 -7.528 3.388 1.00 0.00 N ATOM 401 CA ASP A 670 -7.216 -8.929 3.551 1.00 0.00 C ATOM 402 C ASP A 670 -6.409 -9.819 2.612 1.00 0.00 C ATOM 403 O ASP A 670 -6.230 -11.010 2.868 1.00 0.00 O ATOM 404 CB ASP A 670 -8.712 -9.114 3.289 1.00 0.00 C ATOM 405 CG ASP A 670 -9.102 -10.574 3.168 1.00 0.00 C ATOM 406 OD1 ASP A 670 -9.278 -11.230 4.217 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.232 -11.060 2.026 1.00 0.00 O ATOM 0 H ASP A 670 -7.633 -6.886 3.319 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.996 -9.221 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.279 -8.655 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.985 -8.591 2.373 1.00 0.00 H new ATOM 412 N LYS A 671 -5.923 -9.234 1.522 1.00 0.00 N ATOM 413 CA LYS A 671 -5.134 -9.972 0.544 1.00 0.00 C ATOM 414 C LYS A 671 -3.778 -10.366 1.123 1.00 0.00 C ATOM 415 O LYS A 671 -3.384 -11.531 1.070 1.00 0.00 O ATOM 416 CB LYS A 671 -4.935 -9.133 -0.720 1.00 0.00 C ATOM 417 CG LYS A 671 -4.520 -9.948 -1.933 1.00 0.00 C ATOM 418 CD LYS A 671 -5.656 -10.825 -2.431 1.00 0.00 C ATOM 419 CE LYS A 671 -5.136 -12.112 -3.053 1.00 0.00 C ATOM 420 NZ LYS A 671 -5.014 -13.203 -2.048 1.00 0.00 N ATOM 0 H LYS A 671 -6.062 -8.250 1.294 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.678 -10.881 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -5.862 -8.607 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.177 -8.374 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.200 -9.278 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.663 -10.571 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -6.323 -11.064 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -6.245 -10.277 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -5.808 -12.427 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -4.163 -11.928 -3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -4.657 -14.063 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -4.353 -12.913 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -5.947 -13.397 -1.631 1.00 0.00 H new ATOM 434 N PHE A 672 -3.070 -9.387 1.677 1.00 0.00 N ATOM 435 CA PHE A 672 -1.759 -9.632 2.267 1.00 0.00 C ATOM 436 C PHE A 672 -1.894 -10.259 3.652 1.00 0.00 C ATOM 437 O PHE A 672 -0.931 -10.793 4.199 1.00 0.00 O ATOM 438 CB PHE A 672 -0.967 -8.327 2.360 1.00 0.00 C ATOM 439 CG PHE A 672 -0.215 -7.991 1.104 1.00 0.00 C ATOM 440 CD1 PHE A 672 -0.846 -7.340 0.056 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.123 -8.325 0.971 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.157 -7.031 -1.101 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.818 -8.017 -0.184 1.00 0.00 C ATOM 444 CZ PHE A 672 1.177 -7.369 -1.221 1.00 0.00 C ATOM 0 H PHE A 672 -3.382 -8.417 1.730 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.223 -10.329 1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.652 -7.512 2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.262 -8.398 3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -1.888 -7.071 0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.629 -8.832 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -0.661 -6.525 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.861 -8.283 -0.275 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.717 -7.127 -2.124 1.00 0.00 H new ATOM 454 N ASN A 673 -3.097 -10.187 4.212 1.00 0.00 N ATOM 455 CA ASN A 673 -3.359 -10.746 5.533 1.00 0.00 C ATOM 456 C ASN A 673 -2.853 -12.182 5.627 1.00 0.00 C ATOM 457 O ASN A 673 -2.389 -12.619 6.680 1.00 0.00 O ATOM 458 CB ASN A 673 -4.857 -10.700 5.842 1.00 0.00 C ATOM 459 CG ASN A 673 -5.267 -9.412 6.528 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.853 -8.283 5.963 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.949 -9.431 7.553 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.905 -9.747 3.772 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.825 -10.143 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.420 -10.810 4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -5.120 -11.546 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -6.245 -10.322 7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -6.218 -8.556 8.003 1.00 0.00 H new ATOM 468 N GLU A 674 -2.946 -12.910 4.519 1.00 0.00 N ATOM 469 CA GLU A 674 -2.497 -14.297 4.477 1.00 0.00 C ATOM 470 C GLU A 674 -1.053 -14.416 4.956 1.00 0.00 C ATOM 471 O GLU A 674 -0.699 -15.359 5.664 1.00 0.00 O ATOM 472 CB GLU A 674 -2.623 -14.854 3.057 1.00 0.00 C ATOM 473 CG GLU A 674 -4.060 -15.006 2.588 1.00 0.00 C ATOM 474 CD GLU A 674 -4.749 -16.211 3.198 1.00 0.00 C ATOM 475 OE1 GLU A 674 -5.210 -16.110 4.354 1.00 0.00 O ATOM 476 OE2 GLU A 674 -4.827 -17.256 2.518 1.00 0.00 O ATOM 0 H GLU A 674 -3.328 -12.563 3.639 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.132 -14.878 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -2.093 -14.195 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.130 -15.825 3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.618 -14.105 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.076 -15.094 1.502 1.00 0.00 H new ATOM 483 N CYS A 675 -0.225 -13.455 4.563 1.00 0.00 N ATOM 484 CA CYS A 675 1.182 -13.452 4.951 1.00 0.00 C ATOM 485 C CYS A 675 1.337 -13.121 6.431 1.00 0.00 C ATOM 486 O CYS A 675 2.064 -13.799 7.157 1.00 0.00 O ATOM 487 CB CYS A 675 1.963 -12.445 4.106 1.00 0.00 C ATOM 488 SG CYS A 675 1.692 -12.608 2.325 1.00 0.00 S ATOM 0 H CYS A 675 -0.503 -12.668 3.976 1.00 0.00 H new ATOM 0 HA CYS A 675 1.584 -14.450 4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.686 -11.437 4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 675 3.027 -12.561 4.313 1.00 0.00 H new ATOM 0 HG CYS A 675 1.821 -11.445 1.758 1.00 0.00 H new ATOM 494 N GLY A 676 0.649 -12.072 6.873 1.00 0.00 N ATOM 495 CA GLY A 676 0.726 -11.668 8.265 1.00 0.00 C ATOM 496 C GLY A 676 -0.370 -10.693 8.647 1.00 0.00 C ATOM 497 O GLY A 676 -1.232 -10.365 7.830 1.00 0.00 O ATOM 0 H GLY A 676 0.040 -11.495 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.660 -12.551 8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.697 -11.211 8.454 1.00 0.00 H new ATOM 501 N HIS A 677 -0.340 -10.229 9.892 1.00 0.00 N ATOM 502 CA HIS A 677 -1.340 -9.286 10.381 1.00 0.00 C ATOM 503 C HIS A 677 -1.114 -7.898 9.788 1.00 0.00 C ATOM 504 O HIS A 677 -0.301 -7.122 10.290 1.00 0.00 O ATOM 505 CB HIS A 677 -1.300 -9.214 11.907 1.00 0.00 C ATOM 506 CG HIS A 677 -2.372 -8.347 12.494 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.918 -7.191 12.049 1.00 0.00 N flip ATOM 508 CD2 HIS A 677 -3.007 -8.637 13.683 1.00 0.00 C flip ATOM 509 CE1 HIS A 677 -3.864 -6.808 12.968 1.00 0.00 C flip ATOM 510 NE2 HIS A 677 -3.898 -7.697 13.944 1.00 0.00 N flip ATOM 0 H HIS A 677 0.366 -10.490 10.581 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.322 -9.640 10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.396 -10.221 12.313 1.00 0.00 H new ATOM 0 HB3 HIS A 677 -0.327 -8.836 12.219 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -2.807 -9.498 14.304 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.480 -5.923 12.903 1.00 0.00 H new ATOM 0 HE2 HIS A 677 -4.508 -7.664 14.761 1.00 0.00 H new ATOM 519 N VAL A 678 -1.838 -7.593 8.716 1.00 0.00 N ATOM 520 CA VAL A 678 -1.716 -6.299 8.055 1.00 0.00 C ATOM 521 C VAL A 678 -2.365 -5.195 8.883 1.00 0.00 C ATOM 522 O VAL A 678 -3.445 -5.380 9.446 1.00 0.00 O ATOM 523 CB VAL A 678 -2.360 -6.321 6.655 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.386 -4.922 6.057 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.617 -7.286 5.743 1.00 0.00 C ATOM 0 H VAL A 678 -2.515 -8.224 8.287 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.650 -6.095 7.954 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.389 -6.667 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.844 -4.957 5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.965 -4.261 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.367 -4.544 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.085 -7.289 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.578 -6.971 5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.656 -8.290 6.166 1.00 0.00 H new ATOM 535 N LEU A 679 -1.699 -4.048 8.954 1.00 0.00 N ATOM 536 CA LEU A 679 -2.211 -2.912 9.713 1.00 0.00 C ATOM 537 C LEU A 679 -2.577 -1.758 8.786 1.00 0.00 C ATOM 538 O LEU A 679 -3.735 -1.343 8.722 1.00 0.00 O ATOM 539 CB LEU A 679 -1.173 -2.450 10.738 1.00 0.00 C ATOM 540 CG LEU A 679 -0.470 -3.555 11.526 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.738 -2.998 12.264 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.436 -4.213 12.500 1.00 0.00 C ATOM 0 H LEU A 679 -0.804 -3.880 8.495 1.00 0.00 H new ATOM 0 HA LEU A 679 -3.112 -3.232 10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.415 -1.863 10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.663 -1.782 11.446 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.123 -4.312 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.226 -3.799 12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.440 -2.575 11.546 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.415 -2.221 12.957 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.918 -4.997 13.052 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.814 -3.466 13.198 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.269 -4.648 11.948 1.00 0.00 H new ATOM 554 N TYR A 680 -1.584 -1.244 8.069 1.00 0.00 N ATOM 555 CA TYR A 680 -1.802 -0.137 7.145 1.00 0.00 C ATOM 556 C TYR A 680 -2.020 -0.648 5.724 1.00 0.00 C ATOM 557 O TYR A 680 -1.234 -1.444 5.211 1.00 0.00 O ATOM 558 CB TYR A 680 -0.611 0.822 7.176 1.00 0.00 C ATOM 559 CG TYR A 680 -0.624 1.841 6.059 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.817 2.394 5.611 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.557 2.250 5.452 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.834 3.324 4.590 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.550 3.181 4.432 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.648 3.715 4.004 1.00 0.00 C ATOM 565 OH TYR A 680 -0.660 4.642 2.987 1.00 0.00 O ATOM 0 H TYR A 680 -0.620 -1.576 8.110 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.698 0.396 7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.601 1.344 8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.311 0.244 7.118 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.747 2.092 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.496 1.833 5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.771 3.743 4.252 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.477 3.489 3.972 1.00 0.00 H new ATOM 0 HH TYR A 680 0.257 4.808 2.685 1.00 0.00 H new ATOM 575 N ALA A 681 -3.094 -0.184 5.094 1.00 0.00 N ATOM 576 CA ALA A 681 -3.416 -0.591 3.732 1.00 0.00 C ATOM 577 C ALA A 681 -4.301 0.444 3.045 1.00 0.00 C ATOM 578 O ALA A 681 -5.362 0.803 3.554 1.00 0.00 O ATOM 579 CB ALA A 681 -4.096 -1.952 3.734 1.00 0.00 C ATOM 0 H ALA A 681 -3.756 0.474 5.505 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.484 -0.664 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.331 -2.243 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.429 -2.691 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -5.016 -1.898 4.316 1.00 0.00 H new ATOM 585 N ASP A 682 -3.857 0.919 1.886 1.00 0.00 N ATOM 586 CA ASP A 682 -4.609 1.913 1.129 1.00 0.00 C ATOM 587 C ASP A 682 -4.243 1.859 -0.351 1.00 0.00 C ATOM 588 O ASP A 682 -3.204 1.312 -0.724 1.00 0.00 O ATOM 589 CB ASP A 682 -4.345 3.314 1.682 1.00 0.00 C ATOM 590 CG ASP A 682 -5.483 4.273 1.395 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.527 4.175 2.072 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.330 5.123 0.491 1.00 0.00 O ATOM 0 H ASP A 682 -2.980 0.632 1.451 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.670 1.685 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -4.188 3.253 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.425 3.706 1.248 1.00 0.00 H new ATOM 597 N ILE A 683 -5.102 2.429 -1.189 1.00 0.00 N ATOM 598 CA ILE A 683 -4.869 2.446 -2.628 1.00 0.00 C ATOM 599 C ILE A 683 -4.527 3.851 -3.113 1.00 0.00 C ATOM 600 O ILE A 683 -5.392 4.725 -3.178 1.00 0.00 O ATOM 601 CB ILE A 683 -6.095 1.931 -3.403 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.367 0.466 -3.058 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.883 2.098 -4.901 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.219 -0.458 -3.402 1.00 0.00 C ATOM 0 H ILE A 683 -5.966 2.885 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 683 -4.025 1.783 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.964 2.520 -3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.581 0.386 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.260 0.136 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.758 1.729 -5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.734 3.153 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -5.004 1.532 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.481 -1.481 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.019 -0.407 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.329 -0.153 -2.851 1.00 0.00 H new ATOM 616 N LYS A 684 -3.261 4.062 -3.454 1.00 0.00 N ATOM 617 CA LYS A 684 -2.803 5.359 -3.937 1.00 0.00 C ATOM 618 C LYS A 684 -3.533 5.751 -5.217 1.00 0.00 C ATOM 619 O LYS A 684 -3.651 4.951 -6.145 1.00 0.00 O ATOM 620 CB LYS A 684 -1.294 5.331 -4.186 1.00 0.00 C ATOM 621 CG LYS A 684 -0.485 4.904 -2.973 1.00 0.00 C ATOM 622 CD LYS A 684 -0.407 6.013 -1.937 1.00 0.00 C ATOM 623 CE LYS A 684 -0.093 5.462 -0.554 1.00 0.00 C ATOM 624 NZ LYS A 684 -1.284 4.826 0.073 1.00 0.00 N ATOM 0 H LYS A 684 -2.532 3.350 -3.405 1.00 0.00 H new ATOM 0 HA LYS A 684 -3.024 6.102 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -1.083 4.650 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.967 6.323 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.937 4.018 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.521 4.625 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 684 0.361 6.730 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.353 6.553 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 684 0.712 4.731 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.267 6.268 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 -1.125 4.724 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 -2.121 5.421 -0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 -1.439 3.888 -0.348 1.00 0.00 H new ATOM 724 N LYS A 691 -4.305 3.927 -9.422 1.00 0.00 N ATOM 725 CA LYS A 691 -3.008 3.643 -10.025 1.00 0.00 C ATOM 726 C LYS A 691 -2.580 2.206 -9.742 1.00 0.00 C ATOM 727 O LYS A 691 -1.391 1.889 -9.754 1.00 0.00 O ATOM 728 CB LYS A 691 -1.952 4.615 -9.494 1.00 0.00 C ATOM 729 CG LYS A 691 -2.141 6.042 -9.978 1.00 0.00 C ATOM 730 CD LYS A 691 -1.710 6.201 -11.427 1.00 0.00 C ATOM 731 CE LYS A 691 -2.416 7.372 -12.093 1.00 0.00 C ATOM 732 NZ LYS A 691 -1.632 7.913 -13.238 1.00 0.00 N ATOM 0 HA LYS A 691 -3.100 3.771 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.975 4.604 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.964 4.266 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.188 6.326 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.564 6.720 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -0.631 6.351 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -1.927 5.284 -11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -3.398 7.053 -12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -2.580 8.162 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -2.146 8.710 -13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -0.705 8.241 -12.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -1.497 7.167 -13.950 1.00 0.00 H new ATOM 746 N GLY A 692 -3.557 1.341 -9.488 1.00 0.00 N ATOM 747 CA GLY A 692 -3.261 -0.051 -9.207 1.00 0.00 C ATOM 748 C GLY A 692 -2.009 -0.220 -8.369 1.00 0.00 C ATOM 749 O GLY A 692 -1.331 -1.245 -8.454 1.00 0.00 O ATOM 0 H GLY A 692 -4.549 1.580 -9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -4.106 -0.501 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -3.141 -0.591 -10.146 1.00 0.00 H new ATOM 753 N CYS A 693 -1.701 0.787 -7.560 1.00 0.00 N ATOM 754 CA CYS A 693 -0.520 0.747 -6.704 1.00 0.00 C ATOM 755 C CYS A 693 -0.867 1.164 -5.279 1.00 0.00 C ATOM 756 O CYS A 693 -1.483 2.206 -5.059 1.00 0.00 O ATOM 757 CB CYS A 693 0.572 1.659 -7.265 1.00 0.00 C ATOM 758 SG CYS A 693 0.127 3.411 -7.294 1.00 0.00 S ATOM 0 H CYS A 693 -2.252 1.641 -7.478 1.00 0.00 H new ATOM 0 HA CYS A 693 -0.151 -0.278 -6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.476 1.535 -6.669 1.00 0.00 H new ATOM 0 HB3 CYS A 693 0.812 1.339 -8.279 1.00 0.00 H new ATOM 0 HG CYS A 693 1.114 4.101 -7.783 1.00 0.00 H new ATOM 764 N GLY A 694 -0.467 0.342 -4.313 1.00 0.00 N ATOM 765 CA GLY A 694 -0.746 0.642 -2.921 1.00 0.00 C ATOM 766 C GLY A 694 0.402 0.267 -2.006 1.00 0.00 C ATOM 767 O GLY A 694 1.526 0.056 -2.462 1.00 0.00 O ATOM 0 H GLY A 694 0.045 -0.526 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -0.957 1.706 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.644 0.108 -2.610 1.00 0.00 H new ATOM 771 N VAL A 695 0.121 0.184 -0.709 1.00 0.00 N ATOM 772 CA VAL A 695 1.140 -0.167 0.273 1.00 0.00 C ATOM 773 C VAL A 695 0.559 -1.044 1.377 1.00 0.00 C ATOM 774 O VAL A 695 -0.635 -0.981 1.671 1.00 0.00 O ATOM 775 CB VAL A 695 1.766 1.089 0.906 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.652 1.809 -0.100 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.682 2.017 1.434 1.00 0.00 C ATOM 0 H VAL A 695 -0.804 0.355 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 695 1.914 -0.721 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 695 2.388 0.779 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 695 3.086 2.694 0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.450 1.142 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 695 2.055 2.108 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.143 2.899 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 695 0.032 2.321 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.093 1.496 2.189 1.00 0.00 H new ATOM 787 N VAL A 696 1.412 -1.861 1.987 1.00 0.00 N ATOM 788 CA VAL A 696 0.985 -2.750 3.060 1.00 0.00 C ATOM 789 C VAL A 696 2.020 -2.798 4.179 1.00 0.00 C ATOM 790 O VAL A 696 3.159 -3.214 3.968 1.00 0.00 O ATOM 791 CB VAL A 696 0.738 -4.179 2.542 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.368 -5.107 3.688 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.346 -4.178 1.474 1.00 0.00 C ATOM 0 H VAL A 696 2.403 -1.925 1.756 1.00 0.00 H new ATOM 0 HA VAL A 696 0.050 -2.347 3.450 1.00 0.00 H new ATOM 0 HB VAL A 696 1.660 -4.548 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 696 0.197 -6.112 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 696 1.181 -5.130 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.540 -4.745 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.508 -5.196 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.273 -3.789 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 696 -0.035 -3.548 0.641 1.00 0.00 H new ATOM 803 N LYS A 697 1.616 -2.370 5.370 1.00 0.00 N ATOM 804 CA LYS A 697 2.507 -2.366 6.524 1.00 0.00 C ATOM 805 C LYS A 697 2.218 -3.552 7.439 1.00 0.00 C ATOM 806 O LYS A 697 1.077 -4.001 7.548 1.00 0.00 O ATOM 807 CB LYS A 697 2.358 -1.058 7.304 1.00 0.00 C ATOM 808 CG LYS A 697 3.558 -0.730 8.176 1.00 0.00 C ATOM 809 CD LYS A 697 3.179 0.194 9.321 1.00 0.00 C ATOM 810 CE LYS A 697 4.255 0.219 10.397 1.00 0.00 C ATOM 811 NZ LYS A 697 3.723 0.701 11.702 1.00 0.00 N ATOM 0 H LYS A 697 0.677 -2.021 5.561 1.00 0.00 H new ATOM 0 HA LYS A 697 3.531 -2.451 6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.197 -0.241 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.469 -1.118 7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 697 3.981 -1.652 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.332 -0.260 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 697 3.021 1.203 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.235 -0.133 9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.668 -0.782 10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 697 5.073 0.864 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 4.486 0.703 12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 3.351 1.666 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 2.959 0.071 12.020 1.00 0.00 H new ATOM 825 N PHE A 698 3.259 -4.054 8.096 1.00 0.00 N ATOM 826 CA PHE A 698 3.116 -5.187 9.002 1.00 0.00 C ATOM 827 C PHE A 698 3.621 -4.834 10.399 1.00 0.00 C ATOM 828 O PHE A 698 4.173 -3.756 10.615 1.00 0.00 O ATOM 829 CB PHE A 698 3.880 -6.398 8.463 1.00 0.00 C ATOM 830 CG PHE A 698 3.327 -6.929 7.171 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.768 -6.429 5.956 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.366 -7.927 7.172 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.261 -6.916 4.766 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.856 -8.418 5.985 1.00 0.00 C ATOM 835 CZ PHE A 698 2.303 -7.911 4.781 1.00 0.00 C ATOM 0 H PHE A 698 4.210 -3.694 8.018 1.00 0.00 H new ATOM 0 HA PHE A 698 2.057 -5.435 9.069 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.924 -6.123 8.316 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.861 -7.191 9.210 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.516 -5.650 5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 698 2.011 -8.326 8.111 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.613 -6.519 3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 698 1.109 -9.197 5.999 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.904 -8.292 3.852 1.00 0.00 H new ATOM 845 N GLU A 699 3.426 -5.751 11.341 1.00 0.00 N ATOM 846 CA GLU A 699 3.860 -5.536 12.716 1.00 0.00 C ATOM 847 C GLU A 699 5.341 -5.867 12.878 1.00 0.00 C ATOM 848 O GLU A 699 6.088 -5.126 13.517 1.00 0.00 O ATOM 849 CB GLU A 699 3.028 -6.388 13.677 1.00 0.00 C ATOM 850 CG GLU A 699 1.596 -6.602 13.215 1.00 0.00 C ATOM 851 CD GLU A 699 0.730 -7.245 14.281 1.00 0.00 C ATOM 852 OE1 GLU A 699 0.780 -8.486 14.417 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.002 -6.509 14.979 1.00 0.00 O ATOM 0 H GLU A 699 2.971 -6.649 11.177 1.00 0.00 H new ATOM 0 HA GLU A 699 3.713 -4.483 12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.510 -7.358 13.800 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.017 -5.911 14.657 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.163 -5.643 12.930 1.00 0.00 H new ATOM 0 HG3 GLU A 699 1.595 -7.230 12.324 1.00 0.00 H new ATOM 860 N SER A 700 5.758 -6.986 12.295 1.00 0.00 N ATOM 861 CA SER A 700 7.148 -7.419 12.377 1.00 0.00 C ATOM 862 C SER A 700 7.883 -7.137 11.070 1.00 0.00 C ATOM 863 O SER A 700 7.330 -7.260 9.978 1.00 0.00 O ATOM 864 CB SER A 700 7.221 -8.912 12.704 1.00 0.00 C ATOM 865 OG SER A 700 8.395 -9.217 13.437 1.00 0.00 O ATOM 0 H SER A 700 5.153 -7.610 11.761 1.00 0.00 H new ATOM 0 HA SER A 700 7.632 -6.855 13.175 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.343 -9.205 13.280 1.00 0.00 H new ATOM 0 HB3 SER A 700 7.204 -9.491 11.781 1.00 0.00 H new ATOM 0 HG SER A 700 8.417 -10.177 13.635 1.00 0.00 H new ATOM 871 N PRO A 701 9.162 -6.747 11.184 1.00 0.00 N ATOM 872 CA PRO A 701 10.002 -6.439 10.023 1.00 0.00 C ATOM 873 C PRO A 701 10.350 -7.683 9.213 1.00 0.00 C ATOM 874 O PRO A 701 10.708 -7.590 8.039 1.00 0.00 O ATOM 875 CB PRO A 701 11.263 -5.837 10.647 1.00 0.00 C ATOM 876 CG PRO A 701 11.316 -6.410 12.022 1.00 0.00 C ATOM 877 CD PRO A 701 9.886 -6.578 12.455 1.00 0.00 C ATOM 0 HA PRO A 701 9.499 -5.774 9.321 1.00 0.00 H new ATOM 0 HB2 PRO A 701 12.152 -6.100 10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.211 -4.749 10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.840 -7.366 12.027 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.854 -5.748 12.700 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.762 -7.443 13.106 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.529 -5.709 13.008 1.00 0.00 H new ATOM 885 N GLU A 702 10.243 -8.846 9.848 1.00 0.00 N ATOM 886 CA GLU A 702 10.548 -10.109 9.185 1.00 0.00 C ATOM 887 C GLU A 702 9.426 -10.506 8.230 1.00 0.00 C ATOM 888 O GLU A 702 9.677 -10.976 7.120 1.00 0.00 O ATOM 889 CB GLU A 702 10.768 -11.214 10.220 1.00 0.00 C ATOM 890 CG GLU A 702 9.478 -11.830 10.736 1.00 0.00 C ATOM 891 CD GLU A 702 9.700 -12.726 11.939 1.00 0.00 C ATOM 892 OE1 GLU A 702 10.635 -12.450 12.720 1.00 0.00 O ATOM 893 OE2 GLU A 702 8.938 -13.702 12.099 1.00 0.00 O ATOM 0 H GLU A 702 9.948 -8.940 10.820 1.00 0.00 H new ATOM 0 HA GLU A 702 11.463 -9.976 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 702 11.383 -11.997 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.328 -10.806 11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 702 8.782 -11.035 11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 702 9.011 -12.408 9.938 1.00 0.00 H new ATOM 900 N VAL A 703 8.187 -10.316 8.671 1.00 0.00 N ATOM 901 CA VAL A 703 7.025 -10.654 7.857 1.00 0.00 C ATOM 902 C VAL A 703 7.072 -9.941 6.510 1.00 0.00 C ATOM 903 O VAL A 703 7.012 -10.576 5.458 1.00 0.00 O ATOM 904 CB VAL A 703 5.712 -10.287 8.573 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.527 -10.449 7.633 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.532 -11.138 9.822 1.00 0.00 C ATOM 0 H VAL A 703 7.962 -9.930 9.588 1.00 0.00 H new ATOM 0 HA VAL A 703 7.054 -11.732 7.696 1.00 0.00 H new ATOM 0 HB VAL A 703 5.764 -9.241 8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.608 -10.185 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.654 -9.794 6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.468 -11.484 7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.599 -10.866 10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.501 -12.191 9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.366 -10.967 10.502 1.00 0.00 H new ATOM 916 N ALA A 704 7.180 -8.617 6.551 1.00 0.00 N ATOM 917 CA ALA A 704 7.238 -7.817 5.333 1.00 0.00 C ATOM 918 C ALA A 704 8.223 -8.411 4.333 1.00 0.00 C ATOM 919 O ALA A 704 7.934 -8.497 3.140 1.00 0.00 O ATOM 920 CB ALA A 704 7.618 -6.381 5.663 1.00 0.00 C ATOM 0 H ALA A 704 7.229 -8.076 7.414 1.00 0.00 H new ATOM 0 HA ALA A 704 6.249 -7.823 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.658 -5.795 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 704 6.874 -5.953 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.595 -6.365 6.146 1.00 0.00 H new ATOM 926 N GLU A 705 9.388 -8.819 4.827 1.00 0.00 N ATOM 927 CA GLU A 705 10.417 -9.403 3.974 1.00 0.00 C ATOM 928 C GLU A 705 9.900 -10.663 3.284 1.00 0.00 C ATOM 929 O GLU A 705 10.271 -10.957 2.148 1.00 0.00 O ATOM 930 CB GLU A 705 11.665 -9.733 4.796 1.00 0.00 C ATOM 931 CG GLU A 705 12.646 -8.578 4.902 1.00 0.00 C ATOM 932 CD GLU A 705 14.036 -9.029 5.307 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.799 -9.466 4.420 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.360 -8.946 6.510 1.00 0.00 O ATOM 0 H GLU A 705 9.643 -8.756 5.813 1.00 0.00 H new ATOM 0 HA GLU A 705 10.678 -8.672 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.361 -10.033 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.170 -10.588 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.700 -8.063 3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.275 -7.857 5.631 1.00 0.00 H new ATOM 941 N ARG A 706 9.044 -11.403 3.981 1.00 0.00 N ATOM 942 CA ARG A 706 8.478 -12.631 3.437 1.00 0.00 C ATOM 943 C ARG A 706 7.325 -12.324 2.486 1.00 0.00 C ATOM 944 O ARG A 706 7.352 -12.710 1.318 1.00 0.00 O ATOM 945 CB ARG A 706 7.992 -13.538 4.569 1.00 0.00 C ATOM 946 CG ARG A 706 7.600 -14.932 4.106 1.00 0.00 C ATOM 947 CD ARG A 706 6.706 -15.626 5.122 1.00 0.00 C ATOM 948 NE ARG A 706 7.423 -15.948 6.353 1.00 0.00 N ATOM 949 CZ ARG A 706 6.834 -16.423 7.444 1.00 0.00 C ATOM 950 NH1 ARG A 706 5.524 -16.630 7.458 1.00 0.00 N ATOM 951 NH2 ARG A 706 7.554 -16.692 8.526 1.00 0.00 N ATOM 0 H ARG A 706 8.728 -11.173 4.923 1.00 0.00 H new ATOM 0 HA ARG A 706 9.260 -13.145 2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.778 -13.621 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 706 7.135 -13.071 5.055 1.00 0.00 H new ATOM 0 HG2 ARG A 706 7.082 -14.866 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.498 -15.528 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 706 5.856 -14.984 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 706 6.305 -16.541 4.686 1.00 0.00 H new ATOM 0 HE ARG A 706 8.432 -15.800 6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 706 4.966 -16.424 6.629 1.00 0.00 H new ATOM 0 HH12 ARG A 706 5.074 -16.995 8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 706 8.562 -16.534 8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 706 7.100 -17.057 9.363 1.00 0.00 H new ATOM 965 N ALA A 707 6.314 -11.628 2.995 1.00 0.00 N ATOM 966 CA ALA A 707 5.152 -11.268 2.191 1.00 0.00 C ATOM 967 C ALA A 707 5.574 -10.733 0.827 1.00 0.00 C ATOM 968 O ALA A 707 4.880 -10.934 -0.171 1.00 0.00 O ATOM 969 CB ALA A 707 4.301 -10.241 2.923 1.00 0.00 C ATOM 0 H ALA A 707 6.276 -11.302 3.961 1.00 0.00 H new ATOM 0 HA ALA A 707 4.558 -12.168 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.437 -9.982 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.962 -10.659 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.894 -9.346 3.112 1.00 0.00 H new ATOM 975 N CYS A 708 6.714 -10.052 0.790 1.00 0.00 N ATOM 976 CA CYS A 708 7.227 -9.487 -0.453 1.00 0.00 C ATOM 977 C CYS A 708 7.313 -10.553 -1.540 1.00 0.00 C ATOM 978 O CYS A 708 6.793 -10.373 -2.642 1.00 0.00 O ATOM 979 CB CYS A 708 8.604 -8.863 -0.223 1.00 0.00 C ATOM 980 SG CYS A 708 9.606 -8.714 -1.721 1.00 0.00 S ATOM 0 H CYS A 708 7.300 -9.878 1.606 1.00 0.00 H new ATOM 0 HA CYS A 708 6.536 -8.712 -0.784 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.474 -7.873 0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 708 9.147 -9.465 0.506 1.00 0.00 H new ATOM 0 HG CYS A 708 8.850 -8.354 -2.715 1.00 0.00 H new ATOM 986 N ARG A 709 7.974 -11.661 -1.224 1.00 0.00 N ATOM 987 CA ARG A 709 8.131 -12.755 -2.175 1.00 0.00 C ATOM 988 C ARG A 709 6.859 -13.594 -2.254 1.00 0.00 C ATOM 989 O ARG A 709 6.443 -14.008 -3.336 1.00 0.00 O ATOM 990 CB ARG A 709 9.314 -13.640 -1.777 1.00 0.00 C ATOM 991 CG ARG A 709 10.668 -12.998 -2.032 1.00 0.00 C ATOM 992 CD ARG A 709 11.128 -12.174 -0.840 1.00 0.00 C ATOM 993 NE ARG A 709 12.582 -12.057 -0.784 1.00 0.00 N ATOM 994 CZ ARG A 709 13.392 -13.078 -0.528 1.00 0.00 C ATOM 995 NH1 ARG A 709 12.893 -14.286 -0.306 1.00 0.00 N ATOM 996 NH2 ARG A 709 14.706 -12.892 -0.494 1.00 0.00 N ATOM 0 H ARG A 709 8.410 -11.825 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 709 8.323 -12.324 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.232 -13.887 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.257 -14.578 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 709 11.404 -13.773 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.609 -12.361 -2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 709 10.686 -11.179 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 709 10.766 -12.633 0.080 1.00 0.00 H new ATOM 0 HE ARG A 709 12.999 -11.141 -0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 709 11.884 -14.434 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 709 13.518 -15.068 -0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 709 15.094 -11.964 -0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 709 15.327 -13.677 -0.297 1.00 0.00 H new ATOM 1010 N MET A 710 6.246 -13.840 -1.101 1.00 0.00 N ATOM 1011 CA MET A 710 5.020 -14.628 -1.040 1.00 0.00 C ATOM 1012 C MET A 710 3.936 -14.017 -1.922 1.00 0.00 C ATOM 1013 O MET A 710 2.957 -14.679 -2.266 1.00 0.00 O ATOM 1014 CB MET A 710 4.524 -14.728 0.403 1.00 0.00 C ATOM 1015 CG MET A 710 5.145 -15.876 1.182 1.00 0.00 C ATOM 1016 SD MET A 710 4.519 -15.990 2.869 1.00 0.00 S ATOM 1017 CE MET A 710 2.809 -16.427 2.567 1.00 0.00 C ATOM 0 H MET A 710 6.578 -13.505 -0.196 1.00 0.00 H new ATOM 0 HA MET A 710 5.242 -15.629 -1.410 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.740 -13.792 0.918 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.441 -14.847 0.398 1.00 0.00 H new ATOM 0 HG2 MET A 710 4.947 -16.813 0.661 1.00 0.00 H new ATOM 0 HG3 MET A 710 6.227 -15.749 1.208 1.00 0.00 H new ATOM 0 HE1 MET A 710 2.373 -16.841 3.476 1.00 0.00 H new ATOM 0 HE2 MET A 710 2.253 -15.538 2.270 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.758 -17.169 1.770 1.00 0.00 H new ATOM 1027 N MET A 711 4.118 -12.751 -2.285 1.00 0.00 N ATOM 1028 CA MET A 711 3.155 -12.052 -3.128 1.00 0.00 C ATOM 1029 C MET A 711 3.793 -11.633 -4.449 1.00 0.00 C ATOM 1030 O MET A 711 3.103 -11.454 -5.452 1.00 0.00 O ATOM 1031 CB MET A 711 2.606 -10.824 -2.400 1.00 0.00 C ATOM 1032 CG MET A 711 1.829 -11.161 -1.138 1.00 0.00 C ATOM 1033 SD MET A 711 0.572 -12.425 -1.414 1.00 0.00 S ATOM 1034 CE MET A 711 -0.912 -11.532 -0.956 1.00 0.00 C ATOM 0 H MET A 711 4.923 -12.189 -2.009 1.00 0.00 H new ATOM 0 HA MET A 711 2.333 -12.735 -3.343 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.435 -10.165 -2.141 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.958 -10.270 -3.079 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.522 -11.505 -0.370 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.353 -10.258 -0.757 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.757 -11.911 -1.531 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.106 -11.670 0.108 1.00 0.00 H new ATOM 0 HE3 MET A 711 -0.778 -10.471 -1.166 1.00 0.00 H new ATOM 1044 N ASN A 712 5.113 -11.478 -4.441 1.00 0.00 N ATOM 1045 CA ASN A 712 5.842 -11.079 -5.639 1.00 0.00 C ATOM 1046 C ASN A 712 5.427 -11.927 -6.837 1.00 0.00 C ATOM 1047 O ASN A 712 5.674 -13.132 -6.873 1.00 0.00 O ATOM 1048 CB ASN A 712 7.350 -11.205 -5.408 1.00 0.00 C ATOM 1049 CG ASN A 712 8.151 -10.954 -6.672 1.00 0.00 C ATOM 1050 OD1 ASN A 712 8.092 -11.896 -7.606 1.00 0.00 O flip ATOM 1051 ND2 ASN A 712 8.814 -9.926 -6.805 1.00 0.00 N flip ATOM 0 H ASN A 712 5.699 -11.623 -3.619 1.00 0.00 H new ATOM 0 HA ASN A 712 5.599 -10.038 -5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.658 -10.496 -4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.575 -12.202 -5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 712 8.830 -9.229 -6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.348 -9.771 -7.660 1.00 0.00 H new ATOM 1058 N GLY A 713 4.795 -11.289 -7.817 1.00 0.00 N ATOM 1059 CA GLY A 713 4.355 -12.000 -9.003 1.00 0.00 C ATOM 1060 C GLY A 713 3.029 -12.705 -8.799 1.00 0.00 C ATOM 1061 O GLY A 713 2.782 -13.759 -9.384 1.00 0.00 O ATOM 0 H GLY A 713 4.580 -10.292 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.265 -11.297 -9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 713 5.112 -12.732 -9.286 1.00 0.00 H new ATOM 1065 N MET A 714 2.174 -12.123 -7.964 1.00 0.00 N ATOM 1066 CA MET A 714 0.866 -12.703 -7.684 1.00 0.00 C ATOM 1067 C MET A 714 -0.140 -12.326 -8.767 1.00 0.00 C ATOM 1068 O MET A 714 -0.606 -11.188 -8.827 1.00 0.00 O ATOM 1069 CB MET A 714 0.359 -12.238 -6.318 1.00 0.00 C ATOM 1070 CG MET A 714 -1.031 -12.749 -5.978 1.00 0.00 C ATOM 1071 SD MET A 714 -1.505 -12.394 -4.275 1.00 0.00 S ATOM 1072 CE MET A 714 -1.899 -10.651 -4.390 1.00 0.00 C ATOM 0 H MET A 714 2.364 -11.251 -7.470 1.00 0.00 H new ATOM 0 HA MET A 714 0.973 -13.788 -7.674 1.00 0.00 H new ATOM 0 HB2 MET A 714 1.057 -12.569 -5.549 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.352 -11.148 -6.294 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.756 -12.296 -6.655 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.069 -13.826 -6.145 1.00 0.00 H new ATOM 0 HE1 MET A 714 -1.287 -10.092 -3.682 1.00 0.00 H new ATOM 0 HE2 MET A 714 -1.697 -10.298 -5.401 1.00 0.00 H new ATOM 0 HE3 MET A 714 -2.953 -10.500 -4.157 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.470 -13.287 -9.623 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.421 -13.057 -10.704 1.00 0.00 C ATOM 1084 C LYS A 715 -2.785 -12.654 -10.152 1.00 0.00 C ATOM 1085 O LYS A 715 -3.563 -13.501 -9.712 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.559 -14.314 -11.566 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.604 -14.350 -12.746 1.00 0.00 C ATOM 1088 CD LYS A 715 -1.215 -13.708 -13.979 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.677 -14.331 -15.258 1.00 0.00 C ATOM 1090 NZ LYS A 715 -1.113 -15.746 -15.412 1.00 0.00 N ATOM 0 H LYS A 715 -0.092 -14.234 -9.589 1.00 0.00 H new ATOM 0 HA LYS A 715 -1.042 -12.241 -11.320 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.387 -15.192 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.582 -14.381 -11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.318 -13.832 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.337 -15.383 -12.967 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -2.299 -13.818 -13.948 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -1.003 -12.639 -13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 715 -1.018 -13.751 -16.116 1.00 0.00 H new ATOM 0 HE3 LYS A 715 0.412 -14.285 -15.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -1.109 -16.003 -16.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -0.461 -16.369 -14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -2.074 -15.857 -15.030 1.00 0.00 H new ATOM 1104 N LEU A 716 -3.069 -11.356 -10.180 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.340 -10.841 -9.684 1.00 0.00 C ATOM 1106 C LEU A 716 -5.305 -10.571 -10.834 1.00 0.00 C ATOM 1107 O LEU A 716 -4.978 -9.846 -11.774 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.115 -9.558 -8.881 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.637 -9.743 -7.440 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.172 -8.418 -6.858 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.743 -10.345 -6.585 1.00 0.00 C ATOM 0 H LEU A 716 -2.436 -10.642 -10.541 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.781 -11.597 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.384 -8.946 -9.409 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.049 -8.996 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.792 -10.431 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.836 -8.569 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.349 -8.027 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -3.998 -7.707 -6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.386 -10.470 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.608 -9.681 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -5.029 -11.316 -6.990 1.00 0.00 H new ATOM 1123 N SER A 717 -6.495 -11.158 -10.752 1.00 0.00 N ATOM 1124 CA SER A 717 -7.507 -10.982 -11.787 1.00 0.00 C ATOM 1125 C SER A 717 -6.865 -10.923 -13.170 1.00 0.00 C ATOM 1126 O SER A 717 -7.286 -10.150 -14.030 1.00 0.00 O ATOM 1127 CB SER A 717 -8.312 -9.707 -11.532 1.00 0.00 C ATOM 1128 OG SER A 717 -9.295 -9.515 -12.535 1.00 0.00 O ATOM 0 H SER A 717 -6.782 -11.759 -9.980 1.00 0.00 H new ATOM 0 HA SER A 717 -8.178 -11.840 -11.753 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.792 -9.765 -10.555 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.641 -8.848 -11.507 1.00 0.00 H new ATOM 0 HG SER A 717 -8.881 -9.601 -13.419 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.841 -11.747 -13.377 1.00 0.00 N ATOM 1135 CA GLY A 718 -5.156 -11.773 -14.656 1.00 0.00 C ATOM 1136 C GLY A 718 -4.171 -10.632 -14.810 1.00 0.00 C ATOM 1137 O GLY A 718 -3.990 -10.103 -15.907 1.00 0.00 O ATOM 0 H GLY A 718 -5.474 -12.397 -12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.629 -12.721 -14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.891 -11.725 -15.459 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.534 -10.249 -13.708 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.564 -9.161 -13.725 1.00 0.00 C ATOM 1143 C ARG A 719 -1.447 -9.412 -12.716 1.00 0.00 C ATOM 1144 O ARG A 719 -1.677 -9.401 -11.507 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.254 -7.830 -13.418 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.405 -7.510 -14.357 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.345 -6.478 -13.754 1.00 0.00 C ATOM 1148 NE ARG A 719 -4.853 -5.115 -13.940 1.00 0.00 N ATOM 1149 CZ ARG A 719 -4.972 -4.440 -15.078 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -5.563 -4.998 -16.125 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -4.499 -3.203 -15.169 1.00 0.00 N ATOM 0 H ARG A 719 -3.672 -10.676 -12.792 1.00 0.00 H new ATOM 0 HA ARG A 719 -2.125 -9.114 -14.722 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.627 -7.851 -12.394 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.518 -7.028 -13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -4.012 -7.137 -15.303 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.959 -8.422 -14.580 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -6.330 -6.574 -14.211 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -5.467 -6.677 -12.689 1.00 0.00 H new ATOM 0 HE ARG A 719 -4.393 -4.657 -13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -5.928 -5.948 -16.058 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -5.653 -4.477 -16.997 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -4.044 -2.771 -14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -4.591 -2.685 -16.043 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.239 -9.639 -13.222 1.00 0.00 N ATOM 1166 CA GLU A 720 0.912 -9.895 -12.365 1.00 0.00 C ATOM 1167 C GLU A 720 1.332 -8.627 -11.626 1.00 0.00 C ATOM 1168 O GLU A 720 1.612 -7.600 -12.244 1.00 0.00 O ATOM 1169 CB GLU A 720 2.084 -10.427 -13.192 1.00 0.00 C ATOM 1170 CG GLU A 720 2.107 -11.942 -13.309 1.00 0.00 C ATOM 1171 CD GLU A 720 3.009 -12.427 -14.427 1.00 0.00 C ATOM 1172 OE1 GLU A 720 4.195 -12.034 -14.445 1.00 0.00 O ATOM 1173 OE2 GLU A 720 2.531 -13.200 -15.283 1.00 0.00 O ATOM 0 H GLU A 720 -0.032 -9.651 -14.221 1.00 0.00 H new ATOM 0 HA GLU A 720 0.625 -10.647 -11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.039 -9.994 -14.191 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.018 -10.091 -12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.443 -12.371 -12.365 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.094 -12.305 -13.481 1.00 0.00 H new ATOM 1180 N ILE A 721 1.372 -8.708 -10.300 1.00 0.00 N ATOM 1181 CA ILE A 721 1.758 -7.569 -9.477 1.00 0.00 C ATOM 1182 C ILE A 721 3.211 -7.681 -9.029 1.00 0.00 C ATOM 1183 O ILE A 721 3.770 -8.776 -8.968 1.00 0.00 O ATOM 1184 CB ILE A 721 0.857 -7.442 -8.234 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.078 -8.630 -7.294 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.604 -7.349 -8.646 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.494 -8.424 -5.914 1.00 0.00 C ATOM 0 H ILE A 721 1.142 -9.551 -9.773 1.00 0.00 H new ATOM 0 HA ILE A 721 1.639 -6.679 -10.095 1.00 0.00 H new ATOM 0 HB ILE A 721 1.122 -6.528 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.635 -9.522 -7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.148 -8.817 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.228 -7.260 -7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.748 -6.474 -9.280 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.884 -8.247 -9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.688 -9.305 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 721 0.954 -7.551 -5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.582 -8.267 -5.994 1.00 0.00 H new ATOM 1199 N ASP A 722 3.817 -6.542 -8.714 1.00 0.00 N ATOM 1200 CA ASP A 722 5.205 -6.511 -8.268 1.00 0.00 C ATOM 1201 C ASP A 722 5.300 -6.044 -6.819 1.00 0.00 C ATOM 1202 O ASP A 722 5.146 -4.858 -6.527 1.00 0.00 O ATOM 1203 CB ASP A 722 6.033 -5.593 -9.169 1.00 0.00 C ATOM 1204 CG ASP A 722 7.481 -5.502 -8.729 1.00 0.00 C ATOM 1205 OD1 ASP A 722 7.741 -4.907 -7.663 1.00 0.00 O ATOM 1206 OD2 ASP A 722 8.353 -6.028 -9.451 1.00 0.00 O ATOM 0 H ASP A 722 3.369 -5.627 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 722 5.604 -7.524 -8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.990 -5.960 -10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 722 5.593 -4.596 -9.169 1.00 0.00 H new ATOM 1211 N VAL A 723 5.554 -6.985 -5.915 1.00 0.00 N ATOM 1212 CA VAL A 723 5.669 -6.670 -4.496 1.00 0.00 C ATOM 1213 C VAL A 723 7.131 -6.591 -4.068 1.00 0.00 C ATOM 1214 O VAL A 723 7.930 -7.472 -4.387 1.00 0.00 O ATOM 1215 CB VAL A 723 4.947 -7.717 -3.628 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.914 -7.274 -2.173 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.540 -7.964 -4.151 1.00 0.00 C ATOM 0 H VAL A 723 5.684 -7.971 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 723 5.197 -5.699 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 723 5.501 -8.654 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.400 -8.027 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.933 -7.153 -1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.385 -6.324 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.045 -8.707 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 723 2.974 -7.033 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.592 -8.330 -5.176 1.00 0.00 H new ATOM 1227 N ARG A 724 7.473 -5.531 -3.343 1.00 0.00 N ATOM 1228 CA ARG A 724 8.838 -5.337 -2.872 1.00 0.00 C ATOM 1229 C ARG A 724 8.862 -4.470 -1.616 1.00 0.00 C ATOM 1230 O ARG A 724 7.898 -3.762 -1.321 1.00 0.00 O ATOM 1231 CB ARG A 724 9.692 -4.692 -3.965 1.00 0.00 C ATOM 1232 CG ARG A 724 9.277 -3.269 -4.302 1.00 0.00 C ATOM 1233 CD ARG A 724 10.138 -2.684 -5.410 1.00 0.00 C ATOM 1234 NE ARG A 724 9.654 -1.378 -5.849 1.00 0.00 N ATOM 1235 CZ ARG A 724 10.415 -0.483 -6.469 1.00 0.00 C ATOM 1236 NH1 ARG A 724 11.688 -0.752 -6.723 1.00 0.00 N ATOM 1237 NH2 ARG A 724 9.902 0.684 -6.837 1.00 0.00 N ATOM 0 H ARG A 724 6.823 -4.794 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 724 9.252 -6.315 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 724 10.735 -4.692 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 724 9.634 -5.302 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 724 8.231 -3.257 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.356 -2.646 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 724 11.166 -2.590 -5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 724 10.152 -3.369 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 724 8.678 -1.140 -5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 724 12.086 -1.648 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 724 12.270 -0.063 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 724 8.923 0.894 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 724 10.487 1.371 -7.313 1.00 0.00 H new ATOM 1251 N ILE A 725 9.967 -4.531 -0.881 1.00 0.00 N ATOM 1252 CA ILE A 725 10.116 -3.752 0.341 1.00 0.00 C ATOM 1253 C ILE A 725 10.315 -2.272 0.029 1.00 0.00 C ATOM 1254 O ILE A 725 11.099 -1.913 -0.849 1.00 0.00 O ATOM 1255 CB ILE A 725 11.302 -4.251 1.187 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.134 -5.736 1.515 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.426 -3.431 2.462 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.097 -6.004 2.583 1.00 0.00 C ATOM 0 H ILE A 725 10.773 -5.113 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 725 9.196 -3.880 0.911 1.00 0.00 H new ATOM 0 HB ILE A 725 12.218 -4.128 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 725 10.856 -6.271 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.093 -6.139 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.269 -3.796 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.588 -2.384 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.510 -3.525 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.031 -7.077 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.384 -5.497 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.128 -5.632 2.251 1.00 0.00 H new ATOM 1270 N ASP A 726 9.601 -1.419 0.756 1.00 0.00 N ATOM 1271 CA ASP A 726 9.702 0.023 0.559 1.00 0.00 C ATOM 1272 C ASP A 726 10.869 0.600 1.354 1.00 0.00 C ATOM 1273 O ASP A 726 10.686 1.121 2.454 1.00 0.00 O ATOM 1274 CB ASP A 726 8.398 0.707 0.974 1.00 0.00 C ATOM 1275 CG ASP A 726 8.214 2.055 0.305 1.00 0.00 C ATOM 1276 OD1 ASP A 726 9.123 2.903 0.419 1.00 0.00 O ATOM 1277 OD2 ASP A 726 7.160 2.262 -0.333 1.00 0.00 O ATOM 0 H ASP A 726 8.947 -1.701 1.486 1.00 0.00 H new ATOM 0 HA ASP A 726 9.881 0.209 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.556 0.062 0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.388 0.837 2.056 1.00 0.00 H new