USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 909 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 600 THR OG1 : rot -74:sc= -1.35! USER MOD Set 1.2: A 605 GLN : amide:sc= -2.43! K(o=-3.8!,f=-3) USER MOD Set 2.1: A 561 LYS NZ :NH3+ 147:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 562 GLN : amide:sc= -0.0867 K(o=1.2,f=-4.3) USER MOD Single : A 521 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 530 GLN : amide:sc= -2.34! C(o=-2.3!,f=-3.8!) USER MOD Single : A 531 HIS : no HD1:sc= -0.649 X(o=-0.65,f=-0.97) USER MOD Single : A 540 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0313) USER MOD Single : A 541 LYS NZ :NH3+ -169:sc= -0.0134 (180deg=-0.166) USER MOD Single : A 543 SER OG : rot 180:sc= 0 USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 550 THR OG1 : rot 107:sc= 0.537 USER MOD Single : A 552 TYR OH : rot 130:sc= 0 USER MOD Single : A 553 TYR OH : rot -132:sc= 1.23 USER MOD Single : A 556 CYS SG : rot 180:sc= -0.199 USER MOD Single : A 558 LYS NZ :NH3+ 158:sc= -0.095 (180deg=-0.496) USER MOD Single : A 560 MET CE :methyl 156:sc= -0.723 (180deg=-1.81!) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 TYR OH : rot 150:sc= 0 USER MOD Single : A 571 SER OG : rot 180:sc= 0 USER MOD Single : A 573 ASN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 576 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 577 SER OG : rot 180:sc= 0 USER MOD Single : A 582 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-9.4!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 589 MET CE :methyl 168:sc= -0.121 (180deg=-0.461) USER MOD Single : A 608 GLN : amide:sc= 0.255 X(o=0.26,f=0) USER MOD Single : A 610 SER OG : rot 180:sc= 0 USER MOD Single : A 616 SER OG : rot 180:sc= 0 USER MOD Single : A 619 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.2) USER MOD Single : A 622 THR OG1 : rot 68:sc= 1.06 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 516 -12.396 18.628 -7.869 1.00 0.00 N ATOM 2 CA ARG A 516 -11.226 18.069 -7.156 1.00 0.00 C ATOM 3 C ARG A 516 -11.404 16.567 -6.979 1.00 0.00 C ATOM 4 O ARG A 516 -12.495 16.040 -7.198 1.00 0.00 O ATOM 5 CB ARG A 516 -11.061 18.745 -5.789 1.00 0.00 C ATOM 6 CG ARG A 516 -12.159 18.403 -4.792 1.00 0.00 C ATOM 7 CD ARG A 516 -11.973 19.143 -3.477 1.00 0.00 C ATOM 8 NE ARG A 516 -12.273 20.569 -3.601 1.00 0.00 N ATOM 9 CZ ARG A 516 -11.721 21.518 -2.845 1.00 0.00 C ATOM 10 NH1 ARG A 516 -10.797 21.206 -1.944 1.00 0.00 N ATOM 11 NH2 ARG A 516 -12.091 22.783 -2.998 1.00 0.00 N ATOM 0 HA ARG A 516 -10.329 18.257 -7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 516 -10.098 18.457 -5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 516 -11.036 19.826 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 516 -13.130 18.656 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 516 -12.162 17.329 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 516 -12.620 18.702 -2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 516 -10.946 19.018 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 516 -12.947 20.855 -4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 516 -10.506 20.235 -1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 516 -10.378 21.937 -1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 516 -12.796 23.028 -3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 516 -11.670 23.511 -2.421 1.00 0.00 H new ATOM 27 N ARG A 517 -10.340 15.876 -6.596 1.00 0.00 N ATOM 28 CA ARG A 517 -10.440 14.455 -6.299 1.00 0.00 C ATOM 29 C ARG A 517 -10.742 14.274 -4.821 1.00 0.00 C ATOM 30 O ARG A 517 -10.850 15.251 -4.077 1.00 0.00 O ATOM 31 CB ARG A 517 -9.145 13.716 -6.620 1.00 0.00 C ATOM 32 CG ARG A 517 -8.480 14.124 -7.912 1.00 0.00 C ATOM 33 CD ARG A 517 -7.301 13.217 -8.185 1.00 0.00 C ATOM 34 NE ARG A 517 -6.500 12.985 -6.978 1.00 0.00 N ATOM 35 CZ ARG A 517 -5.242 13.388 -6.813 1.00 0.00 C ATOM 36 NH1 ARG A 517 -4.614 14.049 -7.775 1.00 0.00 N ATOM 37 NH2 ARG A 517 -4.612 13.122 -5.675 1.00 0.00 N ATOM 0 H ARG A 517 -9.406 16.271 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 517 -11.237 14.042 -6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 517 -8.442 13.874 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 517 -9.355 12.647 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 517 -9.194 14.067 -8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 517 -8.148 15.160 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 517 -7.659 12.263 -8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 517 -6.673 13.660 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 517 -6.939 12.478 -6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 517 -5.095 14.253 -8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 517 -3.650 14.354 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 517 -5.092 12.612 -4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 517 -3.648 13.428 -5.542 1.00 0.00 H new ATOM 51 N ARG A 518 -10.864 13.034 -4.391 1.00 0.00 N ATOM 52 CA ARG A 518 -10.975 12.743 -2.977 1.00 0.00 C ATOM 53 C ARG A 518 -9.653 12.175 -2.509 1.00 0.00 C ATOM 54 O ARG A 518 -9.201 11.135 -2.990 1.00 0.00 O ATOM 55 CB ARG A 518 -12.122 11.763 -2.702 1.00 0.00 C ATOM 56 CG ARG A 518 -12.647 11.785 -1.266 1.00 0.00 C ATOM 57 CD ARG A 518 -11.725 11.078 -0.277 1.00 0.00 C ATOM 58 NE ARG A 518 -12.437 10.702 0.948 1.00 0.00 N ATOM 59 CZ ARG A 518 -12.037 10.985 2.190 1.00 0.00 C ATOM 60 NH1 ARG A 518 -10.920 11.663 2.418 1.00 0.00 N ATOM 61 NH2 ARG A 518 -12.766 10.570 3.213 1.00 0.00 N ATOM 0 H ARG A 518 -10.889 12.215 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 518 -11.202 13.657 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -12.945 11.989 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -11.784 10.754 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -12.781 12.820 -0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -13.629 11.313 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -11.305 10.187 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -10.889 11.731 -0.027 1.00 0.00 H new ATOM 0 HE ARG A 518 -13.308 10.182 0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -10.347 11.980 1.636 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -10.634 11.868 3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -13.622 10.041 3.048 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -12.472 10.779 4.167 1.00 0.00 H new ATOM 75 N ILE A 519 -9.018 12.874 -1.597 1.00 0.00 N ATOM 76 CA ILE A 519 -7.713 12.471 -1.124 1.00 0.00 C ATOM 77 C ILE A 519 -7.871 11.682 0.153 1.00 0.00 C ATOM 78 O ILE A 519 -8.710 12.012 0.989 1.00 0.00 O ATOM 79 CB ILE A 519 -6.794 13.677 -0.870 1.00 0.00 C ATOM 80 CG1 ILE A 519 -7.013 14.737 -1.954 1.00 0.00 C ATOM 81 CG2 ILE A 519 -5.337 13.233 -0.835 1.00 0.00 C ATOM 82 CD1 ILE A 519 -6.027 15.884 -1.898 1.00 0.00 C ATOM 0 H ILE A 519 -9.383 13.724 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 519 -7.249 11.859 -1.898 1.00 0.00 H new ATOM 0 HB ILE A 519 -7.040 14.114 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 519 -6.947 14.261 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 519 -8.024 15.135 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 519 -4.698 14.097 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 519 -5.198 12.505 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 519 -5.072 12.779 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 519 -6.247 16.592 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 519 -6.108 16.387 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 519 -5.015 15.500 -2.023 1.00 0.00 H new ATOM 94 N ALA A 520 -7.087 10.639 0.301 1.00 0.00 N ATOM 95 CA ALA A 520 -7.221 9.773 1.443 1.00 0.00 C ATOM 96 C ALA A 520 -6.369 10.262 2.598 1.00 0.00 C ATOM 97 O ALA A 520 -5.282 10.810 2.407 1.00 0.00 O ATOM 98 CB ALA A 520 -6.846 8.352 1.073 1.00 0.00 C ATOM 0 H ALA A 520 -6.353 10.373 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 520 -8.263 9.789 1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 520 -6.952 7.709 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -7.503 7.997 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -5.813 8.327 0.727 1.00 0.00 H new ATOM 104 N THR A 521 -6.885 10.074 3.789 1.00 0.00 N ATOM 105 CA THR A 521 -6.136 10.322 4.998 1.00 0.00 C ATOM 106 C THR A 521 -5.678 9.002 5.588 1.00 0.00 C ATOM 107 O THR A 521 -6.350 7.989 5.413 1.00 0.00 O ATOM 108 CB THR A 521 -6.988 11.094 6.019 1.00 0.00 C ATOM 109 OG1 THR A 521 -8.379 10.882 5.749 1.00 0.00 O ATOM 110 CG2 THR A 521 -6.675 12.580 5.974 1.00 0.00 C ATOM 0 H THR A 521 -7.837 9.744 3.948 1.00 0.00 H new ATOM 0 HA THR A 521 -5.266 10.932 4.755 1.00 0.00 H new ATOM 0 HB THR A 521 -6.750 10.723 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 521 -8.918 11.374 6.403 1.00 0.00 H new ATOM 0 HG21 THR A 521 -7.291 13.104 6.705 1.00 0.00 H new ATOM 0 HG22 THR A 521 -5.622 12.737 6.207 1.00 0.00 H new ATOM 0 HG23 THR A 521 -6.888 12.967 4.977 1.00 0.00 H new ATOM 118 N PRO A 522 -4.528 8.982 6.277 1.00 0.00 N ATOM 119 CA PRO A 522 -3.980 7.752 6.846 1.00 0.00 C ATOM 120 C PRO A 522 -5.010 7.016 7.698 1.00 0.00 C ATOM 121 O PRO A 522 -5.131 5.796 7.629 1.00 0.00 O ATOM 122 CB PRO A 522 -2.803 8.232 7.713 1.00 0.00 C ATOM 123 CG PRO A 522 -2.939 9.718 7.795 1.00 0.00 C ATOM 124 CD PRO A 522 -3.670 10.142 6.557 1.00 0.00 C ATOM 0 HA PRO A 522 -3.680 7.044 6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 522 -2.838 7.781 8.705 1.00 0.00 H new ATOM 0 HB3 PRO A 522 -1.849 7.950 7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 522 -3.488 10.009 8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 522 -1.961 10.196 7.852 1.00 0.00 H new ATOM 0 HD2 PRO A 522 -4.254 11.048 6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 522 -2.986 10.349 5.734 1.00 0.00 H new ATOM 132 N GLU A 523 -5.734 7.780 8.506 1.00 0.00 N ATOM 133 CA GLU A 523 -6.794 7.237 9.347 1.00 0.00 C ATOM 134 C GLU A 523 -7.834 6.483 8.504 1.00 0.00 C ATOM 135 O GLU A 523 -8.295 5.410 8.887 1.00 0.00 O ATOM 136 CB GLU A 523 -7.464 8.357 10.144 1.00 0.00 C ATOM 137 CG GLU A 523 -7.940 9.519 9.289 1.00 0.00 C ATOM 138 CD GLU A 523 -8.594 10.607 10.106 1.00 0.00 C ATOM 139 OE1 GLU A 523 -9.727 10.394 10.587 1.00 0.00 O ATOM 140 OE2 GLU A 523 -7.979 11.676 10.282 1.00 0.00 O ATOM 0 H GLU A 523 -5.605 8.788 8.597 1.00 0.00 H new ATOM 0 HA GLU A 523 -6.346 6.529 10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 523 -8.315 7.945 10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -6.761 8.730 10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -7.093 9.937 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -8.647 9.153 8.545 1.00 0.00 H new ATOM 147 N GLU A 524 -8.199 7.049 7.357 1.00 0.00 N ATOM 148 CA GLU A 524 -9.135 6.406 6.446 1.00 0.00 C ATOM 149 C GLU A 524 -8.498 5.194 5.770 1.00 0.00 C ATOM 150 O GLU A 524 -9.171 4.215 5.477 1.00 0.00 O ATOM 151 CB GLU A 524 -9.609 7.389 5.378 1.00 0.00 C ATOM 152 CG GLU A 524 -10.381 8.576 5.923 1.00 0.00 C ATOM 153 CD GLU A 524 -11.613 8.190 6.713 1.00 0.00 C ATOM 154 OE1 GLU A 524 -12.685 7.997 6.100 1.00 0.00 O ATOM 155 OE2 GLU A 524 -11.529 8.113 7.956 1.00 0.00 O ATOM 0 H GLU A 524 -7.858 7.956 7.037 1.00 0.00 H new ATOM 0 HA GLU A 524 -9.990 6.073 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -8.743 7.755 4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -10.239 6.857 4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 524 -9.722 9.165 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 524 -10.679 9.217 5.093 1.00 0.00 H new ATOM 162 N VAL A 525 -7.199 5.270 5.519 1.00 0.00 N ATOM 163 CA VAL A 525 -6.487 4.186 4.849 1.00 0.00 C ATOM 164 C VAL A 525 -6.274 3.000 5.790 1.00 0.00 C ATOM 165 O VAL A 525 -6.239 1.849 5.360 1.00 0.00 O ATOM 166 CB VAL A 525 -5.130 4.665 4.289 1.00 0.00 C ATOM 167 CG1 VAL A 525 -4.398 3.536 3.580 1.00 0.00 C ATOM 168 CG2 VAL A 525 -5.327 5.839 3.345 1.00 0.00 C ATOM 0 H VAL A 525 -6.615 6.069 5.768 1.00 0.00 H new ATOM 0 HA VAL A 525 -7.109 3.861 4.015 1.00 0.00 H new ATOM 0 HB VAL A 525 -4.518 4.990 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -3.446 3.904 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -4.216 2.723 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -5.006 3.171 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -4.360 6.163 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -5.964 5.535 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -5.798 6.662 3.882 1.00 0.00 H new ATOM 178 N ARG A 526 -6.120 3.278 7.078 1.00 0.00 N ATOM 179 CA ARG A 526 -6.040 2.210 8.068 1.00 0.00 C ATOM 180 C ARG A 526 -7.422 1.660 8.393 1.00 0.00 C ATOM 181 O ARG A 526 -7.533 0.590 8.980 1.00 0.00 O ATOM 182 CB ARG A 526 -5.360 2.672 9.359 1.00 0.00 C ATOM 183 CG ARG A 526 -6.042 3.848 10.028 1.00 0.00 C ATOM 184 CD ARG A 526 -5.512 4.079 11.430 1.00 0.00 C ATOM 185 NE ARG A 526 -5.993 3.065 12.369 1.00 0.00 N ATOM 186 CZ ARG A 526 -5.207 2.377 13.198 1.00 0.00 C ATOM 187 NH1 ARG A 526 -3.889 2.542 13.171 1.00 0.00 N ATOM 188 NH2 ARG A 526 -5.742 1.506 14.045 1.00 0.00 N ATOM 0 H ARG A 526 -6.049 4.221 7.459 1.00 0.00 H new ATOM 0 HA ARG A 526 -5.432 1.421 7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 526 -5.328 1.837 10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 526 -4.328 2.942 9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 526 -5.890 4.746 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 526 -7.117 3.670 10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 526 -4.422 4.070 11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 526 -5.817 5.067 11.775 1.00 0.00 H new ATOM 0 HE ARG A 526 -6.994 2.872 12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 526 -3.471 3.199 12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 526 -3.295 2.012 13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 526 -6.752 1.364 14.061 1.00 0.00 H new ATOM 0 HH22 ARG A 526 -5.143 0.978 14.680 1.00 0.00 H new ATOM 202 N LEU A 527 -8.470 2.401 8.035 1.00 0.00 N ATOM 203 CA LEU A 527 -9.850 1.968 8.258 1.00 0.00 C ATOM 204 C LEU A 527 -10.076 0.529 7.759 1.00 0.00 C ATOM 205 O LEU A 527 -10.603 -0.300 8.501 1.00 0.00 O ATOM 206 CB LEU A 527 -10.821 2.946 7.563 1.00 0.00 C ATOM 207 CG LEU A 527 -11.946 3.532 8.423 1.00 0.00 C ATOM 208 CD1 LEU A 527 -12.890 2.445 8.892 1.00 0.00 C ATOM 209 CD2 LEU A 527 -11.381 4.304 9.604 1.00 0.00 C ATOM 0 H LEU A 527 -8.388 3.313 7.585 1.00 0.00 H new ATOM 0 HA LEU A 527 -10.043 1.974 9.331 1.00 0.00 H new ATOM 0 HB2 LEU A 527 -10.238 3.773 7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 527 -11.274 2.430 6.716 1.00 0.00 H new ATOM 0 HG LEU A 527 -12.513 4.228 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 527 -13.679 2.886 9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 527 -13.332 1.949 8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 527 -12.339 1.716 9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 527 -12.199 4.710 10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 527 -10.780 3.636 10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 527 -10.757 5.121 9.240 1.00 0.00 H new ATOM 221 N PRO A 528 -9.676 0.200 6.508 1.00 0.00 N ATOM 222 CA PRO A 528 -9.751 -1.174 5.991 1.00 0.00 C ATOM 223 C PRO A 528 -9.009 -2.167 6.880 1.00 0.00 C ATOM 224 O PRO A 528 -9.478 -3.285 7.104 1.00 0.00 O ATOM 225 CB PRO A 528 -9.079 -1.082 4.619 1.00 0.00 C ATOM 226 CG PRO A 528 -9.210 0.346 4.224 1.00 0.00 C ATOM 227 CD PRO A 528 -9.153 1.132 5.493 1.00 0.00 C ATOM 0 HA PRO A 528 -10.778 -1.536 5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 528 -8.033 -1.383 4.670 1.00 0.00 H new ATOM 0 HB3 PRO A 528 -9.564 -1.738 3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 528 -8.407 0.639 3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 528 -10.149 0.521 3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 528 -8.135 1.445 5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 528 -9.758 2.036 5.431 1.00 0.00 H new ATOM 235 N LEU A 529 -7.872 -1.735 7.415 1.00 0.00 N ATOM 236 CA LEU A 529 -7.043 -2.583 8.266 1.00 0.00 C ATOM 237 C LEU A 529 -7.775 -2.915 9.563 1.00 0.00 C ATOM 238 O LEU A 529 -7.502 -3.930 10.205 1.00 0.00 O ATOM 239 CB LEU A 529 -5.715 -1.887 8.596 1.00 0.00 C ATOM 240 CG LEU A 529 -4.907 -1.386 7.395 1.00 0.00 C ATOM 241 CD1 LEU A 529 -3.595 -0.767 7.855 1.00 0.00 C ATOM 242 CD2 LEU A 529 -4.641 -2.515 6.419 1.00 0.00 C ATOM 0 H LEU A 529 -7.501 -0.796 7.273 1.00 0.00 H new ATOM 0 HA LEU A 529 -6.837 -3.505 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -5.924 -1.039 9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -5.094 -2.581 9.163 1.00 0.00 H new ATOM 0 HG LEU A 529 -5.494 -0.621 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -3.034 -0.417 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -3.802 0.074 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -3.008 -1.514 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -4.066 -2.137 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -4.077 -3.303 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -5.589 -2.918 6.062 1.00 0.00 H new ATOM 254 N GLN A 530 -8.717 -2.057 9.938 1.00 0.00 N ATOM 255 CA GLN A 530 -9.452 -2.227 11.183 1.00 0.00 C ATOM 256 C GLN A 530 -10.689 -3.091 10.962 1.00 0.00 C ATOM 257 O GLN A 530 -11.372 -3.468 11.915 1.00 0.00 O ATOM 258 CB GLN A 530 -9.868 -0.867 11.759 1.00 0.00 C ATOM 259 CG GLN A 530 -8.785 0.194 11.658 1.00 0.00 C ATOM 260 CD GLN A 530 -9.042 1.393 12.544 1.00 0.00 C ATOM 261 OE1 GLN A 530 -8.593 1.446 13.689 1.00 0.00 O ATOM 262 NE2 GLN A 530 -9.759 2.369 12.019 1.00 0.00 N ATOM 0 H GLN A 530 -8.989 -1.237 9.396 1.00 0.00 H new ATOM 0 HA GLN A 530 -8.794 -2.725 11.895 1.00 0.00 H new ATOM 0 HB2 GLN A 530 -10.758 -0.517 11.235 1.00 0.00 H new ATOM 0 HB3 GLN A 530 -10.144 -0.994 12.806 1.00 0.00 H new ATOM 0 HG2 GLN A 530 -7.826 -0.249 11.926 1.00 0.00 H new ATOM 0 HG3 GLN A 530 -8.705 0.526 10.623 1.00 0.00 H new ATOM 0 HE21 GLN A 530 -10.113 2.286 11.066 1.00 0.00 H new ATOM 0 HE22 GLN A 530 -9.959 3.206 12.566 1.00 0.00 H new ATOM 271 N HIS A 531 -10.983 -3.399 9.705 1.00 0.00 N ATOM 272 CA HIS A 531 -12.167 -4.184 9.379 1.00 0.00 C ATOM 273 C HIS A 531 -11.815 -5.558 8.822 1.00 0.00 C ATOM 274 O HIS A 531 -12.645 -6.467 8.852 1.00 0.00 O ATOM 275 CB HIS A 531 -13.068 -3.430 8.400 1.00 0.00 C ATOM 276 CG HIS A 531 -13.835 -2.318 9.046 1.00 0.00 C ATOM 277 ND1 HIS A 531 -14.879 -2.574 9.905 1.00 0.00 N ATOM 278 CD2 HIS A 531 -13.672 -0.980 8.935 1.00 0.00 C ATOM 279 CE1 HIS A 531 -15.324 -1.391 10.294 1.00 0.00 C ATOM 280 NE2 HIS A 531 -14.625 -0.397 9.732 1.00 0.00 N ATOM 0 H HIS A 531 -10.423 -3.120 8.900 1.00 0.00 H new ATOM 0 HA HIS A 531 -12.709 -4.339 10.312 1.00 0.00 H new ATOM 0 HB2 HIS A 531 -12.458 -3.022 7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 531 -13.769 -4.131 7.946 1.00 0.00 H new ATOM 0 HD2 HIS A 531 -12.934 -0.469 8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 531 -16.147 -1.245 10.978 1.00 0.00 H new ATOM 0 HE2 HIS A 531 -14.773 0.603 9.870 1.00 0.00 H new ATOM 288 N GLY A 532 -10.604 -5.715 8.307 1.00 0.00 N ATOM 289 CA GLY A 532 -10.179 -7.024 7.850 1.00 0.00 C ATOM 290 C GLY A 532 -9.154 -6.965 6.740 1.00 0.00 C ATOM 291 O GLY A 532 -8.351 -7.885 6.583 1.00 0.00 O ATOM 0 H GLY A 532 -9.915 -4.971 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 532 -9.762 -7.577 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 532 -11.049 -7.580 7.502 1.00 0.00 H new ATOM 295 N TRP A 533 -9.183 -5.890 5.965 1.00 0.00 N ATOM 296 CA TRP A 533 -8.250 -5.715 4.856 1.00 0.00 C ATOM 297 C TRP A 533 -6.820 -5.575 5.359 1.00 0.00 C ATOM 298 O TRP A 533 -6.589 -5.309 6.540 1.00 0.00 O ATOM 299 CB TRP A 533 -8.615 -4.472 4.048 1.00 0.00 C ATOM 300 CG TRP A 533 -9.943 -4.560 3.370 1.00 0.00 C ATOM 301 CD1 TRP A 533 -11.174 -4.524 3.958 1.00 0.00 C ATOM 302 CD2 TRP A 533 -10.172 -4.678 1.965 1.00 0.00 C ATOM 303 NE1 TRP A 533 -12.152 -4.637 3.005 1.00 0.00 N ATOM 304 CE2 TRP A 533 -11.564 -4.724 1.772 1.00 0.00 C ATOM 305 CE3 TRP A 533 -9.333 -4.753 0.851 1.00 0.00 C ATOM 306 CZ2 TRP A 533 -12.136 -4.839 0.509 1.00 0.00 C ATOM 307 CZ3 TRP A 533 -9.901 -4.864 -0.401 1.00 0.00 C ATOM 308 CH2 TRP A 533 -11.290 -4.906 -0.564 1.00 0.00 C ATOM 0 H TRP A 533 -9.844 -5.122 6.083 1.00 0.00 H new ATOM 0 HA TRP A 533 -8.319 -6.601 4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 533 -8.613 -3.606 4.710 1.00 0.00 H new ATOM 0 HB3 TRP A 533 -7.845 -4.300 3.296 1.00 0.00 H new ATOM 0 HD1 TRP A 533 -11.351 -4.422 5.018 1.00 0.00 H new ATOM 0 HE1 TRP A 533 -13.156 -4.654 3.185 1.00 0.00 H new ATOM 0 HE3 TRP A 533 -8.260 -4.725 0.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 -13.208 -4.874 0.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 -9.263 -4.919 -1.270 1.00 0.00 H new ATOM 0 HH2 TRP A 533 -11.703 -4.993 -1.558 1.00 0.00 H new ATOM 319 N ARG A 534 -5.862 -5.750 4.460 1.00 0.00 N ATOM 320 CA ARG A 534 -4.460 -5.542 4.777 1.00 0.00 C ATOM 321 C ARG A 534 -3.843 -4.655 3.713 1.00 0.00 C ATOM 322 O ARG A 534 -4.347 -4.598 2.591 1.00 0.00 O ATOM 323 CB ARG A 534 -3.701 -6.865 4.817 1.00 0.00 C ATOM 324 CG ARG A 534 -4.113 -7.793 5.940 1.00 0.00 C ATOM 325 CD ARG A 534 -3.229 -9.025 5.958 1.00 0.00 C ATOM 326 NE ARG A 534 -3.384 -9.830 4.743 1.00 0.00 N ATOM 327 CZ ARG A 534 -2.370 -10.405 4.090 1.00 0.00 C ATOM 328 NH1 ARG A 534 -1.120 -10.243 4.511 1.00 0.00 N ATOM 329 NH2 ARG A 534 -2.608 -11.138 3.010 1.00 0.00 N ATOM 0 H ARG A 534 -6.035 -6.038 3.497 1.00 0.00 H new ATOM 0 HA ARG A 534 -4.393 -5.074 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -3.844 -7.380 3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -2.635 -6.655 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -4.042 -7.273 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -5.155 -8.087 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -2.187 -8.722 6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -3.472 -9.633 6.829 1.00 0.00 H new ATOM 0 HE ARG A 534 -4.325 -9.959 4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -0.930 -9.677 5.338 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -0.351 -10.685 4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -3.565 -11.262 2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -1.834 -11.577 2.511 1.00 0.00 H new ATOM 343 N ARG A 535 -2.748 -3.990 4.041 1.00 0.00 N ATOM 344 CA ARG A 535 -2.101 -3.131 3.066 1.00 0.00 C ATOM 345 C ARG A 535 -0.595 -3.129 3.265 1.00 0.00 C ATOM 346 O ARG A 535 -0.091 -2.712 4.311 1.00 0.00 O ATOM 347 CB ARG A 535 -2.643 -1.710 3.208 1.00 0.00 C ATOM 348 CG ARG A 535 -2.221 -0.766 2.098 1.00 0.00 C ATOM 349 CD ARG A 535 -1.600 0.496 2.662 1.00 0.00 C ATOM 350 NE ARG A 535 -1.677 1.616 1.726 1.00 0.00 N ATOM 351 CZ ARG A 535 -0.816 2.630 1.700 1.00 0.00 C ATOM 352 NH1 ARG A 535 0.183 2.677 2.572 1.00 0.00 N ATOM 353 NH2 ARG A 535 -0.951 3.586 0.791 1.00 0.00 N ATOM 0 H ARG A 535 -2.297 -4.026 4.955 1.00 0.00 H new ATOM 0 HA ARG A 535 -2.314 -3.510 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 535 -3.732 -1.751 3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 535 -2.311 -1.301 4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 535 -1.507 -1.265 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 535 -3.086 -0.508 1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 535 -2.106 0.765 3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 535 -0.556 0.305 2.912 1.00 0.00 H new ATOM 0 HE ARG A 535 -2.440 1.621 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 535 0.292 1.935 3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 535 0.842 3.455 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 535 -1.713 3.543 0.115 1.00 0.00 H new ATOM 0 HH22 ARG A 535 -0.293 4.365 0.768 1.00 0.00 H new ATOM 367 N GLU A 536 0.113 -3.569 2.244 1.00 0.00 N ATOM 368 CA GLU A 536 1.557 -3.671 2.296 1.00 0.00 C ATOM 369 C GLU A 536 2.170 -2.778 1.232 1.00 0.00 C ATOM 370 O GLU A 536 1.629 -2.653 0.143 1.00 0.00 O ATOM 371 CB GLU A 536 1.995 -5.119 2.073 1.00 0.00 C ATOM 372 CG GLU A 536 1.561 -6.057 3.182 1.00 0.00 C ATOM 373 CD GLU A 536 2.117 -7.460 3.031 1.00 0.00 C ATOM 374 OE1 GLU A 536 2.212 -7.958 1.887 1.00 0.00 O ATOM 375 OE2 GLU A 536 2.450 -8.081 4.064 1.00 0.00 O ATOM 0 H GLU A 536 -0.295 -3.865 1.357 1.00 0.00 H new ATOM 0 HA GLU A 536 1.899 -3.350 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 536 1.586 -5.473 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 536 3.081 -5.153 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 536 1.880 -5.648 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 536 0.472 -6.105 3.203 1.00 0.00 H new ATOM 382 N VAL A 537 3.275 -2.140 1.549 1.00 0.00 N ATOM 383 CA VAL A 537 3.934 -1.272 0.589 1.00 0.00 C ATOM 384 C VAL A 537 5.324 -1.796 0.277 1.00 0.00 C ATOM 385 O VAL A 537 6.154 -1.966 1.168 1.00 0.00 O ATOM 386 CB VAL A 537 4.026 0.185 1.095 1.00 0.00 C ATOM 387 CG1 VAL A 537 4.689 1.085 0.059 1.00 0.00 C ATOM 388 CG2 VAL A 537 2.645 0.715 1.447 1.00 0.00 C ATOM 0 H VAL A 537 3.736 -2.203 2.457 1.00 0.00 H new ATOM 0 HA VAL A 537 3.330 -1.272 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 537 4.643 0.190 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 537 4.740 2.104 0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 537 5.697 0.723 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 537 4.105 1.072 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 537 2.729 1.742 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 537 2.008 0.687 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 537 2.206 0.096 2.230 1.00 0.00 H new ATOM 398 N ARG A 538 5.561 -2.054 -0.991 1.00 0.00 N ATOM 399 CA ARG A 538 6.823 -2.609 -1.436 1.00 0.00 C ATOM 400 C ARG A 538 7.659 -1.527 -2.101 1.00 0.00 C ATOM 401 O ARG A 538 7.228 -0.918 -3.080 1.00 0.00 O ATOM 402 CB ARG A 538 6.573 -3.763 -2.409 1.00 0.00 C ATOM 403 CG ARG A 538 5.784 -4.910 -1.796 1.00 0.00 C ATOM 404 CD ARG A 538 5.455 -5.979 -2.827 1.00 0.00 C ATOM 405 NE ARG A 538 4.747 -7.112 -2.232 1.00 0.00 N ATOM 406 CZ ARG A 538 4.277 -8.147 -2.928 1.00 0.00 C ATOM 407 NH1 ARG A 538 4.395 -8.171 -4.250 1.00 0.00 N ATOM 408 NH2 ARG A 538 3.678 -9.153 -2.301 1.00 0.00 N ATOM 0 H ARG A 538 4.889 -1.886 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 538 7.369 -2.992 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 538 6.035 -3.385 -3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 538 7.531 -4.141 -2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 538 6.358 -5.353 -0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 538 4.861 -4.526 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 538 4.844 -5.544 -3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 538 6.376 -6.330 -3.292 1.00 0.00 H new ATOM 0 HE ARG A 538 4.604 -7.110 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 538 4.846 -7.396 -4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 538 4.034 -8.964 -4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 538 3.577 -9.134 -1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 538 3.319 -9.945 -2.834 1.00 0.00 H new ATOM 422 N ILE A 539 8.843 -1.272 -1.563 1.00 0.00 N ATOM 423 CA ILE A 539 9.722 -0.270 -2.136 1.00 0.00 C ATOM 424 C ILE A 539 10.977 -0.919 -2.708 1.00 0.00 C ATOM 425 O ILE A 539 11.720 -1.610 -2.006 1.00 0.00 O ATOM 426 CB ILE A 539 10.113 0.778 -1.083 1.00 0.00 C ATOM 427 CG1 ILE A 539 8.853 1.328 -0.414 1.00 0.00 C ATOM 428 CG2 ILE A 539 10.918 1.904 -1.721 1.00 0.00 C ATOM 429 CD1 ILE A 539 9.119 2.386 0.629 1.00 0.00 C ATOM 0 H ILE A 539 9.213 -1.742 -0.737 1.00 0.00 H new ATOM 0 HA ILE A 539 9.182 0.227 -2.942 1.00 0.00 H new ATOM 0 HB ILE A 539 10.738 0.305 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 539 8.201 1.745 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 539 8.312 0.503 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 539 11.186 2.637 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 539 11.825 1.496 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 539 10.320 2.386 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 539 8.174 2.723 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 539 9.744 1.969 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 539 9.631 3.231 0.168 1.00 0.00 H new ATOM 441 N LYS A 540 11.202 -0.679 -3.986 1.00 0.00 N ATOM 442 CA LYS A 540 12.331 -1.268 -4.686 1.00 0.00 C ATOM 443 C LYS A 540 13.163 -0.219 -5.405 1.00 0.00 C ATOM 444 O LYS A 540 12.641 0.789 -5.889 1.00 0.00 O ATOM 445 CB LYS A 540 11.840 -2.327 -5.676 1.00 0.00 C ATOM 446 CG LYS A 540 10.913 -1.781 -6.755 1.00 0.00 C ATOM 447 CD LYS A 540 10.335 -2.893 -7.615 1.00 0.00 C ATOM 448 CE LYS A 540 11.422 -3.803 -8.158 1.00 0.00 C ATOM 449 NZ LYS A 540 12.401 -3.070 -9.003 1.00 0.00 N ATOM 0 H LYS A 540 10.615 -0.077 -4.564 1.00 0.00 H new ATOM 0 HA LYS A 540 12.973 -1.739 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 540 12.703 -2.792 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 540 11.319 -3.111 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 540 10.101 -1.222 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 540 11.461 -1.081 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 540 9.629 -3.479 -7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 540 9.775 -2.459 -8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 540 11.945 -4.276 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 540 10.966 -4.601 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 540 13.074 -3.745 -9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 540 11.897 -2.570 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 540 12.918 -2.382 -8.419 1.00 0.00 H new ATOM 463 N LYS A 541 14.462 -0.461 -5.464 1.00 0.00 N ATOM 464 CA LYS A 541 15.356 0.446 -6.157 1.00 0.00 C ATOM 465 C LYS A 541 15.293 0.173 -7.654 1.00 0.00 C ATOM 466 O LYS A 541 15.394 -0.975 -8.090 1.00 0.00 O ATOM 467 CB LYS A 541 16.791 0.267 -5.647 1.00 0.00 C ATOM 468 CG LYS A 541 17.836 1.053 -6.428 1.00 0.00 C ATOM 469 CD LYS A 541 17.608 2.550 -6.325 1.00 0.00 C ATOM 470 CE LYS A 541 18.643 3.331 -7.115 1.00 0.00 C ATOM 471 NZ LYS A 541 20.020 3.122 -6.594 1.00 0.00 N ATOM 0 H LYS A 541 14.916 -1.272 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 541 15.046 1.473 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 541 16.833 0.570 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 541 17.048 -0.792 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 541 18.830 0.810 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 541 17.809 0.752 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 541 16.611 2.792 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 541 17.644 2.853 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 541 18.602 3.030 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 541 18.400 4.393 -7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 20.666 3.808 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 20.025 3.255 -5.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 20.334 2.157 -6.820 1.00 0.00 H new ATOM 485 N GLY A 542 15.102 1.218 -8.434 1.00 0.00 N ATOM 486 CA GLY A 542 15.064 1.066 -9.868 1.00 0.00 C ATOM 487 C GLY A 542 16.343 1.543 -10.513 1.00 0.00 C ATOM 488 O GLY A 542 17.111 2.285 -9.898 1.00 0.00 O ATOM 0 H GLY A 542 14.972 2.173 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 542 14.898 0.018 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 542 14.221 1.627 -10.271 1.00 0.00 H new ATOM 492 N SER A 543 16.570 1.127 -11.749 1.00 0.00 N ATOM 493 CA SER A 543 17.757 1.527 -12.489 1.00 0.00 C ATOM 494 C SER A 543 17.717 3.018 -12.806 1.00 0.00 C ATOM 495 O SER A 543 18.746 3.632 -13.089 1.00 0.00 O ATOM 496 CB SER A 543 17.859 0.720 -13.783 1.00 0.00 C ATOM 497 OG SER A 543 17.781 -0.671 -13.516 1.00 0.00 O ATOM 0 H SER A 543 15.943 0.508 -12.264 1.00 0.00 H new ATOM 0 HA SER A 543 18.634 1.329 -11.872 1.00 0.00 H new ATOM 0 HB2 SER A 543 17.057 1.010 -14.462 1.00 0.00 H new ATOM 0 HB3 SER A 543 18.800 0.946 -14.285 1.00 0.00 H new ATOM 0 HG SER A 543 17.846 -1.170 -14.357 1.00 0.00 H new ATOM 503 N HIS A 544 16.527 3.596 -12.759 1.00 0.00 N ATOM 504 CA HIS A 544 16.364 5.006 -13.067 1.00 0.00 C ATOM 505 C HIS A 544 16.132 5.820 -11.801 1.00 0.00 C ATOM 506 O HIS A 544 16.790 6.837 -11.585 1.00 0.00 O ATOM 507 CB HIS A 544 15.211 5.211 -14.054 1.00 0.00 C ATOM 508 CG HIS A 544 15.385 4.452 -15.334 1.00 0.00 C ATOM 509 ND1 HIS A 544 16.289 4.849 -16.290 1.00 0.00 N ATOM 510 CD2 HIS A 544 14.775 3.317 -15.747 1.00 0.00 C ATOM 511 CE1 HIS A 544 16.211 3.946 -17.254 1.00 0.00 C ATOM 512 NE2 HIS A 544 15.307 3.001 -16.970 1.00 0.00 N ATOM 0 H HIS A 544 15.664 3.112 -12.512 1.00 0.00 H new ATOM 0 HA HIS A 544 17.286 5.358 -13.531 1.00 0.00 H new ATOM 0 HB2 HIS A 544 14.278 4.904 -13.581 1.00 0.00 H new ATOM 0 HB3 HIS A 544 15.119 6.274 -14.279 1.00 0.00 H new ATOM 0 HD2 HIS A 544 14.014 2.765 -15.215 1.00 0.00 H new ATOM 0 HE1 HIS A 544 16.803 3.969 -18.157 1.00 0.00 H new ATOM 0 HE2 HIS A 544 15.061 2.200 -17.552 1.00 0.00 H new ATOM 520 N ARG A 545 15.199 5.374 -10.965 1.00 0.00 N ATOM 521 CA ARG A 545 14.880 6.090 -9.734 1.00 0.00 C ATOM 522 C ARG A 545 14.328 5.158 -8.662 1.00 0.00 C ATOM 523 O ARG A 545 14.208 3.949 -8.860 1.00 0.00 O ATOM 524 CB ARG A 545 13.860 7.199 -10.003 1.00 0.00 C ATOM 525 CG ARG A 545 12.604 6.711 -10.705 1.00 0.00 C ATOM 526 CD ARG A 545 11.464 7.705 -10.570 1.00 0.00 C ATOM 527 NE ARG A 545 10.928 7.738 -9.209 1.00 0.00 N ATOM 528 CZ ARG A 545 9.898 8.492 -8.831 1.00 0.00 C ATOM 529 NH1 ARG A 545 9.297 9.295 -9.699 1.00 0.00 N ATOM 530 NH2 ARG A 545 9.465 8.435 -7.580 1.00 0.00 N ATOM 0 H ARG A 545 14.654 4.525 -11.116 1.00 0.00 H new ATOM 0 HA ARG A 545 15.811 6.524 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 545 13.581 7.662 -9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 545 14.329 7.973 -10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 545 12.818 6.544 -11.761 1.00 0.00 H new ATOM 0 HG3 ARG A 545 12.302 5.751 -10.285 1.00 0.00 H new ATOM 0 HD2 ARG A 545 11.815 8.699 -10.846 1.00 0.00 H new ATOM 0 HD3 ARG A 545 10.669 7.442 -11.267 1.00 0.00 H new ATOM 0 HE ARG A 545 11.371 7.146 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 545 9.623 9.338 -10.664 1.00 0.00 H new ATOM 0 HH12 ARG A 545 8.508 9.869 -9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 545 9.921 7.815 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 545 8.676 9.011 -7.287 1.00 0.00 H new ATOM 544 N TRP A 546 13.995 5.755 -7.528 1.00 0.00 N ATOM 545 CA TRP A 546 13.384 5.020 -6.433 1.00 0.00 C ATOM 546 C TRP A 546 11.879 4.967 -6.623 1.00 0.00 C ATOM 547 O TRP A 546 11.226 6.000 -6.805 1.00 0.00 O ATOM 548 CB TRP A 546 13.722 5.646 -5.084 1.00 0.00 C ATOM 549 CG TRP A 546 15.043 5.200 -4.551 1.00 0.00 C ATOM 550 CD1 TRP A 546 16.254 5.792 -4.753 1.00 0.00 C ATOM 551 CD2 TRP A 546 15.282 4.051 -3.733 1.00 0.00 C ATOM 552 NE1 TRP A 546 17.234 5.084 -4.101 1.00 0.00 N ATOM 553 CE2 TRP A 546 16.661 4.009 -3.468 1.00 0.00 C ATOM 554 CE3 TRP A 546 14.460 3.053 -3.195 1.00 0.00 C ATOM 555 CZ2 TRP A 546 17.239 3.009 -2.691 1.00 0.00 C ATOM 556 CZ3 TRP A 546 15.035 2.061 -2.424 1.00 0.00 C ATOM 557 CH2 TRP A 546 16.413 2.045 -2.179 1.00 0.00 C ATOM 0 H TRP A 546 14.138 6.748 -7.342 1.00 0.00 H new ATOM 0 HA TRP A 546 13.786 4.007 -6.440 1.00 0.00 H new ATOM 0 HB2 TRP A 546 13.724 6.731 -5.183 1.00 0.00 H new ATOM 0 HB3 TRP A 546 12.942 5.393 -4.366 1.00 0.00 H new ATOM 0 HD1 TRP A 546 16.418 6.685 -5.338 1.00 0.00 H new ATOM 0 HE1 TRP A 546 18.227 5.319 -4.089 1.00 0.00 H new ATOM 0 HE3 TRP A 546 13.396 3.059 -3.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 546 18.302 2.994 -2.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 546 14.411 1.286 -2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 546 16.833 1.256 -1.573 1.00 0.00 H new ATOM 568 N GLN A 547 11.335 3.761 -6.609 1.00 0.00 N ATOM 569 CA GLN A 547 9.905 3.575 -6.773 1.00 0.00 C ATOM 570 C GLN A 547 9.319 2.724 -5.655 1.00 0.00 C ATOM 571 O GLN A 547 10.026 1.975 -4.983 1.00 0.00 O ATOM 572 CB GLN A 547 9.612 2.939 -8.134 1.00 0.00 C ATOM 573 CG GLN A 547 10.248 1.572 -8.322 1.00 0.00 C ATOM 574 CD GLN A 547 10.100 1.054 -9.737 1.00 0.00 C ATOM 575 OE1 GLN A 547 10.958 1.290 -10.588 1.00 0.00 O ATOM 576 NE2 GLN A 547 9.013 0.348 -10.001 1.00 0.00 N ATOM 0 H GLN A 547 11.863 2.897 -6.486 1.00 0.00 H new ATOM 0 HA GLN A 547 9.431 4.555 -6.725 1.00 0.00 H new ATOM 0 HB2 GLN A 547 8.533 2.847 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 547 9.967 3.606 -8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 547 11.306 1.629 -8.068 1.00 0.00 H new ATOM 0 HG3 GLN A 547 9.792 0.864 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 547 8.326 0.175 -9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 547 8.862 -0.024 -10.939 1.00 0.00 H new ATOM 585 N GLY A 548 8.017 2.847 -5.483 1.00 0.00 N ATOM 586 CA GLY A 548 7.316 2.099 -4.468 1.00 0.00 C ATOM 587 C GLY A 548 5.908 1.784 -4.901 1.00 0.00 C ATOM 588 O GLY A 548 5.313 2.537 -5.676 1.00 0.00 O ATOM 0 H GLY A 548 7.424 3.463 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 548 7.851 1.173 -4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 548 7.295 2.671 -3.540 1.00 0.00 H new ATOM 592 N GLU A 549 5.371 0.685 -4.410 1.00 0.00 N ATOM 593 CA GLU A 549 4.033 0.271 -4.781 1.00 0.00 C ATOM 594 C GLU A 549 3.256 -0.165 -3.550 1.00 0.00 C ATOM 595 O GLU A 549 3.815 -0.701 -2.594 1.00 0.00 O ATOM 596 CB GLU A 549 4.089 -0.865 -5.805 1.00 0.00 C ATOM 597 CG GLU A 549 4.630 -2.155 -5.227 1.00 0.00 C ATOM 598 CD GLU A 549 5.079 -3.140 -6.286 1.00 0.00 C ATOM 599 OE1 GLU A 549 4.240 -3.942 -6.752 1.00 0.00 O ATOM 600 OE2 GLU A 549 6.271 -3.125 -6.657 1.00 0.00 O ATOM 0 H GLU A 549 5.841 0.062 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 549 3.521 1.120 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 549 3.088 -1.041 -6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 549 4.713 -0.560 -6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 549 5.471 -1.928 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 549 3.861 -2.620 -4.610 1.00 0.00 H new ATOM 607 N THR A 550 1.973 0.087 -3.586 1.00 0.00 N ATOM 608 CA THR A 550 1.100 -0.271 -2.485 1.00 0.00 C ATOM 609 C THR A 550 0.208 -1.443 -2.864 1.00 0.00 C ATOM 610 O THR A 550 -0.462 -1.422 -3.894 1.00 0.00 O ATOM 611 CB THR A 550 0.227 0.909 -2.045 1.00 0.00 C ATOM 612 OG1 THR A 550 1.045 1.960 -1.510 1.00 0.00 O ATOM 613 CG2 THR A 550 -0.790 0.460 -1.009 1.00 0.00 C ATOM 0 H THR A 550 1.502 0.541 -4.368 1.00 0.00 H new ATOM 0 HA THR A 550 1.741 -0.556 -1.651 1.00 0.00 H new ATOM 0 HB THR A 550 -0.307 1.287 -2.916 1.00 0.00 H new ATOM 0 HG1 THR A 550 1.083 2.702 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 550 -1.402 1.310 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 550 -1.429 -0.313 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 550 -0.270 0.060 -0.138 1.00 0.00 H new ATOM 621 N TRP A 551 0.250 -2.477 -2.051 1.00 0.00 N ATOM 622 CA TRP A 551 -0.538 -3.661 -2.299 1.00 0.00 C ATOM 623 C TRP A 551 -1.680 -3.764 -1.292 1.00 0.00 C ATOM 624 O TRP A 551 -1.562 -3.361 -0.132 1.00 0.00 O ATOM 625 CB TRP A 551 0.326 -4.920 -2.235 1.00 0.00 C ATOM 626 CG TRP A 551 1.015 -5.222 -3.525 1.00 0.00 C ATOM 627 CD1 TRP A 551 1.922 -4.438 -4.167 1.00 0.00 C ATOM 628 CD2 TRP A 551 0.849 -6.392 -4.333 1.00 0.00 C ATOM 629 NE1 TRP A 551 2.327 -5.042 -5.330 1.00 0.00 N ATOM 630 CE2 TRP A 551 1.687 -6.245 -5.453 1.00 0.00 C ATOM 631 CE3 TRP A 551 0.075 -7.550 -4.219 1.00 0.00 C ATOM 632 CZ2 TRP A 551 1.772 -7.210 -6.452 1.00 0.00 C ATOM 633 CZ3 TRP A 551 0.161 -8.509 -5.211 1.00 0.00 C ATOM 634 CH2 TRP A 551 1.005 -8.334 -6.314 1.00 0.00 C ATOM 0 H TRP A 551 0.825 -2.519 -1.209 1.00 0.00 H new ATOM 0 HA TRP A 551 -0.955 -3.579 -3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 551 1.073 -4.802 -1.450 1.00 0.00 H new ATOM 0 HB3 TRP A 551 -0.299 -5.769 -1.956 1.00 0.00 H new ATOM 0 HD1 TRP A 551 2.272 -3.480 -3.813 1.00 0.00 H new ATOM 0 HE1 TRP A 551 2.997 -4.657 -5.996 1.00 0.00 H new ATOM 0 HE3 TRP A 551 -0.579 -7.693 -3.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 2.420 -7.076 -7.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 -0.433 -9.408 -5.134 1.00 0.00 H new ATOM 0 HH2 TRP A 551 1.051 -9.102 -7.072 1.00 0.00 H new ATOM 645 N TYR A 552 -2.773 -4.314 -1.773 1.00 0.00 N ATOM 646 CA TYR A 552 -3.953 -4.535 -0.951 1.00 0.00 C ATOM 647 C TYR A 552 -4.454 -5.950 -1.143 1.00 0.00 C ATOM 648 O TYR A 552 -4.287 -6.537 -2.211 1.00 0.00 O ATOM 649 CB TYR A 552 -5.063 -3.535 -1.307 1.00 0.00 C ATOM 650 CG TYR A 552 -5.284 -2.446 -0.275 1.00 0.00 C ATOM 651 CD1 TYR A 552 -5.933 -2.726 0.919 1.00 0.00 C ATOM 652 CD2 TYR A 552 -4.866 -1.137 -0.499 1.00 0.00 C ATOM 653 CE1 TYR A 552 -6.155 -1.743 1.863 1.00 0.00 C ATOM 654 CE2 TYR A 552 -5.088 -0.146 0.441 1.00 0.00 C ATOM 655 CZ TYR A 552 -5.733 -0.456 1.619 1.00 0.00 C ATOM 656 OH TYR A 552 -5.946 0.520 2.565 1.00 0.00 O ATOM 0 H TYR A 552 -2.874 -4.621 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 552 -3.679 -4.386 0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 552 -4.822 -3.069 -2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 552 -5.996 -4.081 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 552 -6.271 -3.733 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 552 -4.360 -0.891 -1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 552 -6.657 -1.983 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 552 -4.758 0.865 0.253 1.00 0.00 H new ATOM 0 HH TYR A 552 -5.109 1.001 2.733 1.00 0.00 H new ATOM 666 N TYR A 553 -5.058 -6.513 -0.115 1.00 0.00 N ATOM 667 CA TYR A 553 -5.534 -7.878 -0.183 1.00 0.00 C ATOM 668 C TYR A 553 -6.942 -7.974 0.378 1.00 0.00 C ATOM 669 O TYR A 553 -7.208 -7.509 1.492 1.00 0.00 O ATOM 670 CB TYR A 553 -4.599 -8.802 0.603 1.00 0.00 C ATOM 671 CG TYR A 553 -3.131 -8.607 0.294 1.00 0.00 C ATOM 672 CD1 TYR A 553 -2.512 -9.326 -0.718 1.00 0.00 C ATOM 673 CD2 TYR A 553 -2.363 -7.702 1.018 1.00 0.00 C ATOM 674 CE1 TYR A 553 -1.173 -9.150 -1.002 1.00 0.00 C ATOM 675 CE2 TYR A 553 -1.023 -7.522 0.742 1.00 0.00 C ATOM 676 CZ TYR A 553 -0.432 -8.247 -0.269 1.00 0.00 C ATOM 677 OH TYR A 553 0.908 -8.080 -0.538 1.00 0.00 O ATOM 0 H TYR A 553 -5.230 -6.046 0.775 1.00 0.00 H new ATOM 0 HA TYR A 553 -5.548 -8.189 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 553 -4.759 -8.641 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 553 -4.869 -9.837 0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 553 -3.088 -10.036 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 553 -2.823 -7.130 1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 553 -0.708 -9.717 -1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 553 -0.441 -6.816 1.316 1.00 0.00 H new ATOM 0 HH TYR A 553 1.416 -8.111 0.299 1.00 0.00 H new ATOM 687 N GLY A 554 -7.834 -8.575 -0.395 1.00 0.00 N ATOM 688 CA GLY A 554 -9.197 -8.754 0.049 1.00 0.00 C ATOM 689 C GLY A 554 -9.279 -9.751 1.183 1.00 0.00 C ATOM 690 O GLY A 554 -8.703 -10.835 1.096 1.00 0.00 O ATOM 0 H GLY A 554 -7.635 -8.943 -1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 554 -9.605 -7.797 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 554 -9.811 -9.096 -0.784 1.00 0.00 H new ATOM 694 N PRO A 555 -9.997 -9.418 2.263 1.00 0.00 N ATOM 695 CA PRO A 555 -10.072 -10.268 3.454 1.00 0.00 C ATOM 696 C PRO A 555 -10.941 -11.498 3.232 1.00 0.00 C ATOM 697 O PRO A 555 -11.036 -12.371 4.092 1.00 0.00 O ATOM 698 CB PRO A 555 -10.701 -9.349 4.501 1.00 0.00 C ATOM 699 CG PRO A 555 -11.523 -8.385 3.716 1.00 0.00 C ATOM 700 CD PRO A 555 -10.807 -8.192 2.406 1.00 0.00 C ATOM 0 HA PRO A 555 -9.096 -10.659 3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 555 -11.315 -9.912 5.204 1.00 0.00 H new ATOM 0 HB3 PRO A 555 -9.938 -8.834 5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 555 -12.530 -8.772 3.556 1.00 0.00 H new ATOM 0 HG3 PRO A 555 -11.626 -7.438 4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 555 -11.509 -8.078 1.580 1.00 0.00 H new ATOM 0 HD3 PRO A 555 -10.182 -7.299 2.419 1.00 0.00 H new ATOM 708 N CYS A 556 -11.587 -11.547 2.079 1.00 0.00 N ATOM 709 CA CYS A 556 -12.515 -12.618 1.770 1.00 0.00 C ATOM 710 C CYS A 556 -12.354 -13.087 0.327 1.00 0.00 C ATOM 711 O CYS A 556 -13.124 -13.924 -0.144 1.00 0.00 O ATOM 712 CB CYS A 556 -13.954 -12.149 2.007 1.00 0.00 C ATOM 713 SG CYS A 556 -14.264 -11.527 3.678 1.00 0.00 S ATOM 0 H CYS A 556 -11.484 -10.853 1.339 1.00 0.00 H new ATOM 0 HA CYS A 556 -12.294 -13.458 2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 556 -14.192 -11.364 1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 556 -14.632 -12.979 1.808 1.00 0.00 H new ATOM 0 HG CYS A 556 -15.505 -11.154 3.779 1.00 0.00 H new ATOM 719 N GLY A 557 -11.359 -12.557 -0.378 1.00 0.00 N ATOM 720 CA GLY A 557 -11.273 -12.794 -1.804 1.00 0.00 C ATOM 721 C GLY A 557 -9.870 -12.614 -2.354 1.00 0.00 C ATOM 722 O GLY A 557 -8.884 -12.964 -1.702 1.00 0.00 O ATOM 0 H GLY A 557 -10.618 -11.973 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 557 -11.614 -13.807 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 557 -11.950 -12.113 -2.321 1.00 0.00 H new ATOM 726 N LYS A 558 -9.796 -12.058 -3.555 1.00 0.00 N ATOM 727 CA LYS A 558 -8.520 -11.883 -4.251 1.00 0.00 C ATOM 728 C LYS A 558 -7.768 -10.660 -3.725 1.00 0.00 C ATOM 729 O LYS A 558 -8.217 -9.996 -2.791 1.00 0.00 O ATOM 730 CB LYS A 558 -8.720 -11.773 -5.772 1.00 0.00 C ATOM 731 CG LYS A 558 -9.349 -10.469 -6.253 1.00 0.00 C ATOM 732 CD LYS A 558 -10.857 -10.460 -6.076 1.00 0.00 C ATOM 733 CE LYS A 558 -11.508 -9.373 -6.915 1.00 0.00 C ATOM 734 NZ LYS A 558 -11.353 -9.634 -8.369 1.00 0.00 N ATOM 0 H LYS A 558 -10.606 -11.718 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 558 -7.919 -12.770 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 558 -7.752 -11.892 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 558 -9.346 -12.602 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 558 -8.915 -9.634 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 558 -9.107 -10.317 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 558 -11.264 -11.431 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 558 -11.100 -10.305 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 558 -12.568 -9.308 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 558 -11.064 -8.408 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 558 -12.089 -9.120 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 558 -10.415 -9.311 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 558 -11.446 -10.654 -8.551 1.00 0.00 H new ATOM 748 N ARG A 559 -6.628 -10.359 -4.338 1.00 0.00 N ATOM 749 CA ARG A 559 -5.825 -9.220 -3.919 1.00 0.00 C ATOM 750 C ARG A 559 -5.730 -8.199 -5.039 1.00 0.00 C ATOM 751 O ARG A 559 -5.626 -8.551 -6.216 1.00 0.00 O ATOM 752 CB ARG A 559 -4.419 -9.648 -3.472 1.00 0.00 C ATOM 753 CG ARG A 559 -3.448 -9.970 -4.604 1.00 0.00 C ATOM 754 CD ARG A 559 -3.785 -11.278 -5.301 1.00 0.00 C ATOM 755 NE ARG A 559 -3.927 -12.381 -4.355 1.00 0.00 N ATOM 756 CZ ARG A 559 -4.388 -13.588 -4.673 1.00 0.00 C ATOM 757 NH1 ARG A 559 -4.698 -13.878 -5.932 1.00 0.00 N ATOM 758 NH2 ARG A 559 -4.521 -14.513 -3.732 1.00 0.00 N ATOM 0 H ARG A 559 -6.242 -10.885 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 559 -6.322 -8.766 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 559 -3.991 -8.852 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 559 -4.510 -10.526 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 559 -3.461 -9.159 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 559 -2.435 -10.024 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 559 -4.711 -11.161 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 559 -3.003 -11.517 -6.022 1.00 0.00 H new ATOM 0 HE ARG A 559 -3.655 -12.215 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 559 -4.583 -13.174 -6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 559 -5.051 -14.805 -6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 559 -4.270 -14.298 -2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 559 -4.874 -15.439 -3.973 1.00 0.00 H new ATOM 772 N MET A 560 -5.788 -6.938 -4.665 1.00 0.00 N ATOM 773 CA MET A 560 -5.777 -5.864 -5.632 1.00 0.00 C ATOM 774 C MET A 560 -4.699 -4.848 -5.291 1.00 0.00 C ATOM 775 O MET A 560 -4.435 -4.585 -4.126 1.00 0.00 O ATOM 776 CB MET A 560 -7.149 -5.184 -5.686 1.00 0.00 C ATOM 777 CG MET A 560 -8.293 -6.109 -6.102 1.00 0.00 C ATOM 778 SD MET A 560 -8.809 -7.255 -4.807 1.00 0.00 S ATOM 779 CE MET A 560 -9.164 -6.116 -3.475 1.00 0.00 C ATOM 0 H MET A 560 -5.843 -6.632 -3.693 1.00 0.00 H new ATOM 0 HA MET A 560 -5.556 -6.286 -6.612 1.00 0.00 H new ATOM 0 HB2 MET A 560 -7.373 -4.766 -4.705 1.00 0.00 H new ATOM 0 HB3 MET A 560 -7.100 -4.349 -6.384 1.00 0.00 H new ATOM 0 HG2 MET A 560 -9.148 -5.503 -6.400 1.00 0.00 H new ATOM 0 HG3 MET A 560 -7.986 -6.680 -6.978 1.00 0.00 H new ATOM 0 HE1 MET A 560 -9.870 -6.575 -2.782 1.00 0.00 H new ATOM 0 HE2 MET A 560 -8.242 -5.875 -2.947 1.00 0.00 H new ATOM 0 HE3 MET A 560 -9.598 -5.203 -3.883 1.00 0.00 H new ATOM 789 N LYS A 561 -4.080 -4.272 -6.306 1.00 0.00 N ATOM 790 CA LYS A 561 -3.083 -3.240 -6.077 1.00 0.00 C ATOM 791 C LYS A 561 -3.259 -2.103 -7.079 1.00 0.00 C ATOM 792 O LYS A 561 -2.442 -1.187 -7.167 1.00 0.00 O ATOM 793 CB LYS A 561 -1.665 -3.821 -6.101 1.00 0.00 C ATOM 794 CG LYS A 561 -1.280 -4.572 -7.371 1.00 0.00 C ATOM 795 CD LYS A 561 -0.864 -3.637 -8.493 1.00 0.00 C ATOM 796 CE LYS A 561 0.349 -2.796 -8.116 1.00 0.00 C ATOM 797 NZ LYS A 561 0.838 -1.986 -9.261 1.00 0.00 N ATOM 0 H LYS A 561 -4.247 -4.497 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 561 -3.232 -2.826 -5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 561 -0.956 -3.007 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 561 -1.555 -4.497 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 561 -0.462 -5.257 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 561 -2.123 -5.178 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 561 -0.637 -4.220 -9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 561 -1.696 -2.980 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 561 0.090 -2.136 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 561 1.148 -3.449 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 561 1.227 -1.088 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 561 1.581 -2.511 -9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 561 0.049 -1.792 -9.911 1.00 0.00 H new ATOM 811 N GLN A 562 -4.349 -2.181 -7.823 1.00 0.00 N ATOM 812 CA GLN A 562 -4.761 -1.114 -8.711 1.00 0.00 C ATOM 813 C GLN A 562 -6.084 -0.557 -8.231 1.00 0.00 C ATOM 814 O GLN A 562 -6.916 -1.294 -7.700 1.00 0.00 O ATOM 815 CB GLN A 562 -4.912 -1.621 -10.144 1.00 0.00 C ATOM 816 CG GLN A 562 -3.633 -2.171 -10.745 1.00 0.00 C ATOM 817 CD GLN A 562 -2.532 -1.135 -10.873 1.00 0.00 C ATOM 818 OE1 GLN A 562 -1.350 -1.465 -10.823 1.00 0.00 O ATOM 819 NE2 GLN A 562 -2.905 0.121 -11.045 1.00 0.00 N ATOM 0 H GLN A 562 -4.972 -2.988 -7.826 1.00 0.00 H new ATOM 0 HA GLN A 562 -3.997 -0.336 -8.702 1.00 0.00 H new ATOM 0 HB2 GLN A 562 -5.674 -2.400 -10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 562 -5.273 -0.805 -10.770 1.00 0.00 H new ATOM 0 HG2 GLN A 562 -3.276 -2.995 -10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 562 -3.851 -2.582 -11.731 1.00 0.00 H new ATOM 0 HE21 GLN A 562 -3.896 0.358 -11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 562 -2.202 0.853 -11.141 1.00 0.00 H new ATOM 828 N PHE A 563 -6.275 0.734 -8.412 1.00 0.00 N ATOM 829 CA PHE A 563 -7.529 1.374 -8.050 1.00 0.00 C ATOM 830 C PHE A 563 -8.715 0.712 -8.763 1.00 0.00 C ATOM 831 O PHE A 563 -9.706 0.366 -8.118 1.00 0.00 O ATOM 832 CB PHE A 563 -7.478 2.866 -8.374 1.00 0.00 C ATOM 833 CG PHE A 563 -8.613 3.645 -7.780 1.00 0.00 C ATOM 834 CD1 PHE A 563 -8.994 3.436 -6.466 1.00 0.00 C ATOM 835 CD2 PHE A 563 -9.295 4.588 -8.529 1.00 0.00 C ATOM 836 CE1 PHE A 563 -10.031 4.152 -5.909 1.00 0.00 C ATOM 837 CE2 PHE A 563 -10.334 5.311 -7.976 1.00 0.00 C ATOM 838 CZ PHE A 563 -10.702 5.094 -6.664 1.00 0.00 C ATOM 0 H PHE A 563 -5.578 1.364 -8.808 1.00 0.00 H new ATOM 0 HA PHE A 563 -7.672 1.252 -6.976 1.00 0.00 H new ATOM 0 HB2 PHE A 563 -6.536 3.277 -8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 563 -7.486 2.995 -9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 563 -8.472 2.702 -5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 563 -9.012 4.760 -9.557 1.00 0.00 H new ATOM 0 HE1 PHE A 563 -10.319 3.977 -4.883 1.00 0.00 H new ATOM 0 HE2 PHE A 563 -10.858 6.045 -8.570 1.00 0.00 H new ATOM 0 HZ PHE A 563 -11.513 5.659 -6.229 1.00 0.00 H new ATOM 848 N PRO A 564 -8.631 0.495 -10.099 1.00 0.00 N ATOM 849 CA PRO A 564 -9.704 -0.152 -10.861 1.00 0.00 C ATOM 850 C PRO A 564 -9.969 -1.584 -10.405 1.00 0.00 C ATOM 851 O PRO A 564 -11.016 -2.150 -10.715 1.00 0.00 O ATOM 852 CB PRO A 564 -9.195 -0.138 -12.304 1.00 0.00 C ATOM 853 CG PRO A 564 -7.722 0.018 -12.184 1.00 0.00 C ATOM 854 CD PRO A 564 -7.508 0.870 -10.976 1.00 0.00 C ATOM 0 HA PRO A 564 -10.653 0.368 -10.728 1.00 0.00 H new ATOM 0 HB2 PRO A 564 -9.454 -1.060 -12.824 1.00 0.00 H new ATOM 0 HB3 PRO A 564 -9.635 0.682 -12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 564 -7.233 -0.950 -12.073 1.00 0.00 H new ATOM 0 HG3 PRO A 564 -7.303 0.487 -13.074 1.00 0.00 H new ATOM 0 HD2 PRO A 564 -6.545 0.669 -10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 564 -7.527 1.931 -11.223 1.00 0.00 H new ATOM 862 N GLU A 565 -9.038 -2.161 -9.645 1.00 0.00 N ATOM 863 CA GLU A 565 -9.225 -3.491 -9.069 1.00 0.00 C ATOM 864 C GLU A 565 -10.016 -3.420 -7.768 1.00 0.00 C ATOM 865 O GLU A 565 -10.706 -4.365 -7.391 1.00 0.00 O ATOM 866 CB GLU A 565 -7.879 -4.160 -8.786 1.00 0.00 C ATOM 867 CG GLU A 565 -7.135 -4.665 -10.008 1.00 0.00 C ATOM 868 CD GLU A 565 -5.893 -5.447 -9.622 1.00 0.00 C ATOM 869 OE1 GLU A 565 -4.886 -4.824 -9.223 1.00 0.00 O ATOM 870 OE2 GLU A 565 -5.921 -6.693 -9.699 1.00 0.00 O ATOM 0 H GLU A 565 -8.145 -1.726 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 565 -9.780 -4.080 -9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 565 -7.242 -3.448 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 565 -8.044 -4.999 -8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 565 -7.795 -5.299 -10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 565 -6.853 -3.821 -10.638 1.00 0.00 H new ATOM 877 N VAL A 566 -9.899 -2.310 -7.073 1.00 0.00 N ATOM 878 CA VAL A 566 -10.604 -2.148 -5.815 1.00 0.00 C ATOM 879 C VAL A 566 -12.070 -1.797 -6.062 1.00 0.00 C ATOM 880 O VAL A 566 -12.968 -2.360 -5.434 1.00 0.00 O ATOM 881 CB VAL A 566 -9.925 -1.098 -4.909 1.00 0.00 C ATOM 882 CG1 VAL A 566 -10.795 -0.782 -3.703 1.00 0.00 C ATOM 883 CG2 VAL A 566 -8.554 -1.600 -4.462 1.00 0.00 C ATOM 0 H VAL A 566 -9.329 -1.512 -7.352 1.00 0.00 H new ATOM 0 HA VAL A 566 -10.563 -3.101 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 566 -9.794 -0.180 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 566 -10.296 -0.040 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 566 -11.754 -0.388 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 566 -10.959 -1.691 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 566 -8.083 -0.852 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 566 -8.671 -2.530 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 566 -7.928 -1.776 -5.337 1.00 0.00 H new ATOM 893 N ILE A 567 -12.302 -0.888 -7.005 1.00 0.00 N ATOM 894 CA ILE A 567 -13.662 -0.455 -7.353 1.00 0.00 C ATOM 895 C ILE A 567 -14.528 -1.633 -7.799 1.00 0.00 C ATOM 896 O ILE A 567 -15.736 -1.663 -7.557 1.00 0.00 O ATOM 897 CB ILE A 567 -13.658 0.598 -8.479 1.00 0.00 C ATOM 898 CG1 ILE A 567 -12.511 1.585 -8.289 1.00 0.00 C ATOM 899 CG2 ILE A 567 -14.985 1.344 -8.507 1.00 0.00 C ATOM 900 CD1 ILE A 567 -12.541 2.286 -6.956 1.00 0.00 C ATOM 0 H ILE A 567 -11.567 -0.433 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 567 -14.079 -0.014 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 567 -13.519 0.082 -9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -11.564 1.055 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -12.547 2.330 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -14.969 2.085 -9.307 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -15.796 0.637 -8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -15.141 1.845 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.698 2.973 -6.887 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -13.472 2.844 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -12.475 1.549 -6.156 1.00 0.00 H new ATOM 912 N LYS A 568 -13.899 -2.605 -8.442 1.00 0.00 N ATOM 913 CA LYS A 568 -14.628 -3.786 -8.887 1.00 0.00 C ATOM 914 C LYS A 568 -14.960 -4.693 -7.708 1.00 0.00 C ATOM 915 O LYS A 568 -16.050 -5.252 -7.642 1.00 0.00 O ATOM 916 CB LYS A 568 -13.867 -4.549 -9.977 1.00 0.00 C ATOM 917 CG LYS A 568 -12.476 -4.975 -9.566 1.00 0.00 C ATOM 918 CD LYS A 568 -11.747 -5.718 -10.678 1.00 0.00 C ATOM 919 CE LYS A 568 -11.584 -4.861 -11.921 1.00 0.00 C ATOM 920 NZ LYS A 568 -10.693 -5.497 -12.923 1.00 0.00 N ATOM 0 H LYS A 568 -12.904 -2.603 -8.665 1.00 0.00 H new ATOM 0 HA LYS A 568 -15.565 -3.446 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -14.440 -5.433 -10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -13.797 -3.921 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -11.899 -4.096 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -12.539 -5.615 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -10.766 -6.031 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -12.298 -6.624 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -12.562 -4.681 -12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -11.178 -3.889 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -10.609 -4.879 -13.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -9.752 -5.646 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -11.093 -6.413 -13.211 1.00 0.00 H new ATOM 934 N TYR A 569 -14.029 -4.821 -6.761 1.00 0.00 N ATOM 935 CA TYR A 569 -14.208 -5.709 -5.619 1.00 0.00 C ATOM 936 C TYR A 569 -15.386 -5.246 -4.774 1.00 0.00 C ATOM 937 O TYR A 569 -16.206 -6.056 -4.340 1.00 0.00 O ATOM 938 CB TYR A 569 -12.931 -5.745 -4.770 1.00 0.00 C ATOM 939 CG TYR A 569 -12.947 -6.777 -3.656 1.00 0.00 C ATOM 940 CD1 TYR A 569 -13.582 -6.522 -2.446 1.00 0.00 C ATOM 941 CD2 TYR A 569 -12.314 -8.003 -3.815 1.00 0.00 C ATOM 942 CE1 TYR A 569 -13.587 -7.461 -1.429 1.00 0.00 C ATOM 943 CE2 TYR A 569 -12.311 -8.947 -2.805 1.00 0.00 C ATOM 944 CZ TYR A 569 -12.949 -8.672 -1.612 1.00 0.00 C ATOM 945 OH TYR A 569 -12.947 -9.608 -0.600 1.00 0.00 O ATOM 0 H TYR A 569 -13.142 -4.318 -6.766 1.00 0.00 H new ATOM 0 HA TYR A 569 -14.413 -6.715 -5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 569 -12.081 -5.946 -5.422 1.00 0.00 H new ATOM 0 HB3 TYR A 569 -12.772 -4.759 -4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 569 -14.080 -5.575 -2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 569 -11.814 -8.223 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 569 -14.088 -7.247 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 569 -11.812 -9.894 -2.948 1.00 0.00 H new ATOM 0 HH TYR A 569 -12.911 -10.508 -0.987 1.00 0.00 H new ATOM 955 N LEU A 570 -15.472 -3.938 -4.569 1.00 0.00 N ATOM 956 CA LEU A 570 -16.533 -3.350 -3.762 1.00 0.00 C ATOM 957 C LEU A 570 -17.885 -3.530 -4.445 1.00 0.00 C ATOM 958 O LEU A 570 -18.914 -3.668 -3.785 1.00 0.00 O ATOM 959 CB LEU A 570 -16.264 -1.861 -3.545 1.00 0.00 C ATOM 960 CG LEU A 570 -14.842 -1.508 -3.102 1.00 0.00 C ATOM 961 CD1 LEU A 570 -14.721 -0.018 -2.844 1.00 0.00 C ATOM 962 CD2 LEU A 570 -14.444 -2.304 -1.870 1.00 0.00 C ATOM 0 H LEU A 570 -14.814 -3.260 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 570 -16.553 -3.858 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.479 -1.331 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.963 -1.488 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.157 -1.774 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -13.704 0.215 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -14.953 0.529 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.419 0.273 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -13.430 -2.035 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.131 -2.079 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.486 -3.369 -2.096 1.00 0.00 H new ATOM 974 N SER A 571 -17.873 -3.503 -5.770 1.00 0.00 N ATOM 975 CA SER A 571 -19.080 -3.704 -6.556 1.00 0.00 C ATOM 976 C SER A 571 -19.509 -5.173 -6.529 1.00 0.00 C ATOM 977 O SER A 571 -20.687 -5.484 -6.344 1.00 0.00 O ATOM 978 CB SER A 571 -18.840 -3.240 -7.997 1.00 0.00 C ATOM 979 OG SER A 571 -19.992 -3.425 -8.800 1.00 0.00 O ATOM 0 H SER A 571 -17.033 -3.342 -6.326 1.00 0.00 H new ATOM 0 HA SER A 571 -19.885 -3.112 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 571 -18.559 -2.187 -7.999 1.00 0.00 H new ATOM 0 HB3 SER A 571 -18.004 -3.794 -8.424 1.00 0.00 H new ATOM 0 HG SER A 571 -19.808 -3.118 -9.712 1.00 0.00 H new ATOM 985 N ARG A 572 -18.540 -6.066 -6.700 1.00 0.00 N ATOM 986 CA ARG A 572 -18.804 -7.502 -6.758 1.00 0.00 C ATOM 987 C ARG A 572 -19.211 -8.048 -5.393 1.00 0.00 C ATOM 988 O ARG A 572 -20.079 -8.914 -5.292 1.00 0.00 O ATOM 989 CB ARG A 572 -17.560 -8.239 -7.263 1.00 0.00 C ATOM 990 CG ARG A 572 -17.161 -7.856 -8.680 1.00 0.00 C ATOM 991 CD ARG A 572 -15.797 -8.416 -9.058 1.00 0.00 C ATOM 992 NE ARG A 572 -15.715 -9.862 -8.846 1.00 0.00 N ATOM 993 CZ ARG A 572 -15.638 -10.764 -9.826 1.00 0.00 C ATOM 994 NH1 ARG A 572 -15.668 -10.381 -11.098 1.00 0.00 N ATOM 995 NH2 ARG A 572 -15.535 -12.055 -9.531 1.00 0.00 N ATOM 0 H ARG A 572 -17.556 -5.819 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 572 -19.632 -7.666 -7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 572 -16.727 -8.032 -6.591 1.00 0.00 H new ATOM 0 HB3 ARG A 572 -17.742 -9.313 -7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 572 -17.911 -8.224 -9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 572 -17.145 -6.770 -8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 572 -15.591 -8.192 -10.105 1.00 0.00 H new ATOM 0 HD3 ARG A 572 -15.026 -7.920 -8.468 1.00 0.00 H new ATOM 0 HE ARG A 572 -15.717 -10.203 -7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 572 -15.750 -9.391 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 572 -15.609 -11.077 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 572 -15.515 -12.355 -8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 572 -15.476 -12.746 -10.279 1.00 0.00 H new ATOM 1009 N ASN A 573 -18.588 -7.532 -4.350 1.00 0.00 N ATOM 1010 CA ASN A 573 -18.837 -8.005 -2.996 1.00 0.00 C ATOM 1011 C ASN A 573 -19.709 -7.012 -2.247 1.00 0.00 C ATOM 1012 O ASN A 573 -20.115 -5.992 -2.803 1.00 0.00 O ATOM 1013 CB ASN A 573 -17.512 -8.198 -2.252 1.00 0.00 C ATOM 1014 CG ASN A 573 -16.646 -9.278 -2.872 1.00 0.00 C ATOM 1015 OD1 ASN A 573 -16.690 -10.441 -2.465 1.00 0.00 O ATOM 1016 ND2 ASN A 573 -15.858 -8.905 -3.872 1.00 0.00 N ATOM 0 H ASN A 573 -17.901 -6.780 -4.413 1.00 0.00 H new ATOM 0 HA ASN A 573 -19.356 -8.962 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 573 -16.963 -7.256 -2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 573 -17.717 -8.454 -1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 573 -15.260 -9.591 -4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 573 -15.850 -7.933 -4.180 1.00 0.00 H new ATOM 1023 N VAL A 574 -20.012 -7.311 -0.996 1.00 0.00 N ATOM 1024 CA VAL A 574 -20.742 -6.374 -0.163 1.00 0.00 C ATOM 1025 C VAL A 574 -19.800 -5.764 0.863 1.00 0.00 C ATOM 1026 O VAL A 574 -19.264 -6.464 1.722 1.00 0.00 O ATOM 1027 CB VAL A 574 -21.920 -7.054 0.564 1.00 0.00 C ATOM 1028 CG1 VAL A 574 -22.722 -6.031 1.354 1.00 0.00 C ATOM 1029 CG2 VAL A 574 -22.812 -7.789 -0.426 1.00 0.00 C ATOM 0 H VAL A 574 -19.766 -8.189 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 574 -21.149 -5.597 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 574 -21.514 -7.785 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -23.549 -6.529 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -22.077 -5.556 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -23.115 -5.274 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -23.636 -8.261 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -23.209 -7.081 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -22.230 -8.552 -0.943 1.00 0.00 H new ATOM 1039 N VAL A 575 -19.605 -4.457 0.770 1.00 0.00 N ATOM 1040 CA VAL A 575 -18.699 -3.742 1.658 1.00 0.00 C ATOM 1041 C VAL A 575 -19.234 -2.339 1.909 1.00 0.00 C ATOM 1042 O VAL A 575 -19.378 -1.555 0.974 1.00 0.00 O ATOM 1043 CB VAL A 575 -17.268 -3.626 1.068 1.00 0.00 C ATOM 1044 CG1 VAL A 575 -16.342 -2.935 2.048 1.00 0.00 C ATOM 1045 CG2 VAL A 575 -16.699 -4.983 0.692 1.00 0.00 C ATOM 0 H VAL A 575 -20.067 -3.864 0.081 1.00 0.00 H new ATOM 0 HA VAL A 575 -18.641 -4.311 2.586 1.00 0.00 H new ATOM 0 HB VAL A 575 -17.343 -3.029 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 575 -15.344 -2.863 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 575 -16.718 -1.934 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 575 -16.297 -3.510 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 575 -15.697 -4.857 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 575 -16.652 -5.616 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 575 -17.339 -5.452 -0.055 1.00 0.00 H new ATOM 1055 N HIS A 576 -19.542 -2.025 3.158 1.00 0.00 N ATOM 1056 CA HIS A 576 -20.092 -0.716 3.486 1.00 0.00 C ATOM 1057 C HIS A 576 -19.209 0.011 4.496 1.00 0.00 C ATOM 1058 O HIS A 576 -19.252 1.237 4.604 1.00 0.00 O ATOM 1059 CB HIS A 576 -21.514 -0.862 4.032 1.00 0.00 C ATOM 1060 CG HIS A 576 -22.287 0.424 4.064 1.00 0.00 C ATOM 1061 ND1 HIS A 576 -22.956 0.886 2.956 1.00 0.00 N ATOM 1062 CD2 HIS A 576 -22.466 1.297 5.084 1.00 0.00 C ATOM 1063 CE1 HIS A 576 -23.525 2.021 3.325 1.00 0.00 C ATOM 1064 NE2 HIS A 576 -23.255 2.311 4.605 1.00 0.00 N ATOM 0 H HIS A 576 -19.423 -2.650 3.955 1.00 0.00 H new ATOM 0 HA HIS A 576 -20.123 -0.121 2.573 1.00 0.00 H new ATOM 0 HB2 HIS A 576 -22.055 -1.585 3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 576 -21.465 -1.271 5.041 1.00 0.00 H new ATOM 0 HD2 HIS A 576 -22.064 1.211 6.083 1.00 0.00 H new ATOM 0 HE1 HIS A 576 -24.131 2.637 2.677 1.00 0.00 H new ATOM 0 HE2 HIS A 576 -23.575 3.129 5.124 1.00 0.00 H new ATOM 1072 N SER A 577 -18.399 -0.746 5.224 1.00 0.00 N ATOM 1073 CA SER A 577 -17.519 -0.165 6.229 1.00 0.00 C ATOM 1074 C SER A 577 -16.422 0.657 5.560 1.00 0.00 C ATOM 1075 O SER A 577 -16.076 1.746 6.015 1.00 0.00 O ATOM 1076 CB SER A 577 -16.903 -1.276 7.074 1.00 0.00 C ATOM 1077 OG SER A 577 -17.901 -2.173 7.536 1.00 0.00 O ATOM 0 H SER A 577 -18.333 -1.760 5.138 1.00 0.00 H new ATOM 0 HA SER A 577 -18.101 0.494 6.873 1.00 0.00 H new ATOM 0 HB2 SER A 577 -16.164 -1.820 6.485 1.00 0.00 H new ATOM 0 HB3 SER A 577 -16.376 -0.842 7.924 1.00 0.00 H new ATOM 0 HG SER A 577 -17.484 -2.878 8.074 1.00 0.00 H new ATOM 1083 N VAL A 578 -15.885 0.122 4.476 1.00 0.00 N ATOM 1084 CA VAL A 578 -14.874 0.830 3.710 1.00 0.00 C ATOM 1085 C VAL A 578 -15.307 1.043 2.266 1.00 0.00 C ATOM 1086 O VAL A 578 -15.917 0.171 1.648 1.00 0.00 O ATOM 1087 CB VAL A 578 -13.506 0.111 3.761 1.00 0.00 C ATOM 1088 CG1 VAL A 578 -12.894 0.248 5.142 1.00 0.00 C ATOM 1089 CG2 VAL A 578 -13.639 -1.360 3.398 1.00 0.00 C ATOM 0 H VAL A 578 -16.131 -0.797 4.108 1.00 0.00 H new ATOM 0 HA VAL A 578 -14.759 1.808 4.177 1.00 0.00 H new ATOM 0 HB VAL A 578 -12.853 0.584 3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -11.931 -0.262 5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -12.751 1.303 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -13.559 -0.199 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -12.659 -1.836 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -14.313 -1.849 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -14.040 -1.451 2.389 1.00 0.00 H new ATOM 1099 N ARG A 579 -15.027 2.231 1.751 1.00 0.00 N ATOM 1100 CA ARG A 579 -15.304 2.564 0.364 1.00 0.00 C ATOM 1101 C ARG A 579 -13.977 2.763 -0.344 1.00 0.00 C ATOM 1102 O ARG A 579 -12.932 2.711 0.297 1.00 0.00 O ATOM 1103 CB ARG A 579 -16.143 3.840 0.256 1.00 0.00 C ATOM 1104 CG ARG A 579 -17.337 3.881 1.196 1.00 0.00 C ATOM 1105 CD ARG A 579 -18.307 2.741 0.933 1.00 0.00 C ATOM 1106 NE ARG A 579 -18.946 2.850 -0.381 1.00 0.00 N ATOM 1107 CZ ARG A 579 -19.238 1.809 -1.163 1.00 0.00 C ATOM 1108 NH1 ARG A 579 -18.917 0.577 -0.788 1.00 0.00 N ATOM 1109 NH2 ARG A 579 -19.848 2.001 -2.327 1.00 0.00 N ATOM 0 H ARG A 579 -14.602 2.990 2.283 1.00 0.00 H new ATOM 0 HA ARG A 579 -15.873 1.755 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -15.505 4.700 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -16.498 3.942 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -16.988 3.830 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -17.856 4.833 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -17.776 1.792 0.999 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -19.073 2.732 1.708 1.00 0.00 H new ATOM 0 HE ARG A 579 -19.183 3.782 -0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -18.444 0.422 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -19.143 -0.215 -1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -20.094 2.945 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -20.071 1.204 -2.924 1.00 0.00 H new ATOM 1123 N ARG A 580 -14.009 2.993 -1.651 1.00 0.00 N ATOM 1124 CA ARG A 580 -12.790 3.152 -2.440 1.00 0.00 C ATOM 1125 C ARG A 580 -11.860 4.228 -1.868 1.00 0.00 C ATOM 1126 O ARG A 580 -10.642 4.119 -1.992 1.00 0.00 O ATOM 1127 CB ARG A 580 -13.110 3.468 -3.901 1.00 0.00 C ATOM 1128 CG ARG A 580 -13.913 4.737 -4.116 1.00 0.00 C ATOM 1129 CD ARG A 580 -15.403 4.451 -4.181 1.00 0.00 C ATOM 1130 NE ARG A 580 -16.179 5.647 -4.494 1.00 0.00 N ATOM 1131 CZ ARG A 580 -17.482 5.635 -4.775 1.00 0.00 C ATOM 1132 NH1 ARG A 580 -18.156 4.488 -4.783 1.00 0.00 N ATOM 1133 NH2 ARG A 580 -18.112 6.769 -5.048 1.00 0.00 N ATOM 0 H ARG A 580 -14.871 3.074 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 580 -12.268 2.197 -2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 580 -12.174 3.549 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 580 -13.661 2.630 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 580 -13.711 5.438 -3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 580 -13.594 5.218 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 580 -15.593 3.688 -4.936 1.00 0.00 H new ATOM 0 HD3 ARG A 580 -15.735 4.043 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 580 -15.696 6.545 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 580 -17.676 3.613 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 580 -19.153 4.484 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 580 -17.600 7.651 -5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 580 -19.109 6.760 -5.263 1.00 0.00 H new ATOM 1147 N GLU A 581 -12.425 5.268 -1.251 1.00 0.00 N ATOM 1148 CA GLU A 581 -11.639 6.335 -0.628 1.00 0.00 C ATOM 1149 C GLU A 581 -10.749 5.842 0.517 1.00 0.00 C ATOM 1150 O GLU A 581 -9.723 6.449 0.816 1.00 0.00 O ATOM 1151 CB GLU A 581 -12.580 7.423 -0.114 1.00 0.00 C ATOM 1152 CG GLU A 581 -13.523 6.940 0.974 1.00 0.00 C ATOM 1153 CD GLU A 581 -14.656 7.903 1.231 1.00 0.00 C ATOM 1154 OE1 GLU A 581 -14.475 8.854 2.014 1.00 0.00 O ATOM 1155 OE2 GLU A 581 -15.742 7.708 0.655 1.00 0.00 O ATOM 0 H GLU A 581 -13.434 5.394 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 581 -10.973 6.729 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -11.988 8.253 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 581 -13.166 7.809 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 581 -13.933 5.971 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 581 -12.962 6.791 1.896 1.00 0.00 H new ATOM 1162 N HIS A 582 -11.149 4.751 1.155 1.00 0.00 N ATOM 1163 CA HIS A 582 -10.396 4.192 2.276 1.00 0.00 C ATOM 1164 C HIS A 582 -9.159 3.459 1.774 1.00 0.00 C ATOM 1165 O HIS A 582 -8.274 3.088 2.543 1.00 0.00 O ATOM 1166 CB HIS A 582 -11.276 3.256 3.105 1.00 0.00 C ATOM 1167 CG HIS A 582 -12.343 3.965 3.887 1.00 0.00 C ATOM 1168 ND1 HIS A 582 -13.673 3.812 3.583 1.00 0.00 N ATOM 1169 CD2 HIS A 582 -12.228 4.788 4.960 1.00 0.00 C ATOM 1170 CE1 HIS A 582 -14.335 4.532 4.470 1.00 0.00 C ATOM 1171 NE2 HIS A 582 -13.502 5.144 5.323 1.00 0.00 N ATOM 0 H HIS A 582 -11.994 4.231 0.916 1.00 0.00 H new ATOM 0 HA HIS A 582 -10.074 5.013 2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 582 -11.746 2.531 2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 582 -10.645 2.695 3.794 1.00 0.00 H new ATOM 0 HD2 HIS A 582 -11.311 5.102 5.436 1.00 0.00 H new ATOM 0 HE1 HIS A 582 -15.411 4.617 4.504 1.00 0.00 H new ATOM 0 HE2 HIS A 582 -13.765 5.757 6.095 1.00 0.00 H new ATOM 1179 N PHE A 583 -9.109 3.253 0.473 1.00 0.00 N ATOM 1180 CA PHE A 583 -8.004 2.552 -0.144 1.00 0.00 C ATOM 1181 C PHE A 583 -7.134 3.542 -0.895 1.00 0.00 C ATOM 1182 O PHE A 583 -7.616 4.281 -1.753 1.00 0.00 O ATOM 1183 CB PHE A 583 -8.506 1.464 -1.093 1.00 0.00 C ATOM 1184 CG PHE A 583 -9.451 0.493 -0.447 1.00 0.00 C ATOM 1185 CD1 PHE A 583 -8.978 -0.527 0.355 1.00 0.00 C ATOM 1186 CD2 PHE A 583 -10.813 0.603 -0.647 1.00 0.00 C ATOM 1187 CE1 PHE A 583 -9.849 -1.419 0.946 1.00 0.00 C ATOM 1188 CE2 PHE A 583 -11.691 -0.285 -0.062 1.00 0.00 C ATOM 1189 CZ PHE A 583 -11.207 -1.299 0.736 1.00 0.00 C ATOM 0 H PHE A 583 -9.828 3.564 -0.181 1.00 0.00 H new ATOM 0 HA PHE A 583 -7.416 2.070 0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 583 -9.005 1.934 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 583 -7.651 0.917 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 583 -7.916 -0.627 0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 583 -11.196 1.397 -1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 583 -9.468 -2.211 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 583 -12.754 -0.186 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 583 -11.890 -1.998 1.196 1.00 0.00 H new ATOM 1199 N SER A 584 -5.854 3.560 -0.578 1.00 0.00 N ATOM 1200 CA SER A 584 -4.933 4.486 -1.193 1.00 0.00 C ATOM 1201 C SER A 584 -3.668 3.735 -1.556 1.00 0.00 C ATOM 1202 O SER A 584 -3.133 2.982 -0.739 1.00 0.00 O ATOM 1203 CB SER A 584 -4.612 5.643 -0.243 1.00 0.00 C ATOM 1204 OG SER A 584 -3.674 6.536 -0.820 1.00 0.00 O ATOM 0 H SER A 584 -5.429 2.937 0.108 1.00 0.00 H new ATOM 0 HA SER A 584 -5.385 4.910 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 584 -5.528 6.181 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 584 -4.215 5.249 0.693 1.00 0.00 H new ATOM 0 HG SER A 584 -3.489 7.266 -0.193 1.00 0.00 H new ATOM 1210 N PHE A 585 -3.194 3.926 -2.772 1.00 0.00 N ATOM 1211 CA PHE A 585 -2.020 3.212 -3.233 1.00 0.00 C ATOM 1212 C PHE A 585 -0.797 4.112 -3.243 1.00 0.00 C ATOM 1213 O PHE A 585 0.284 3.703 -3.666 1.00 0.00 O ATOM 1214 CB PHE A 585 -2.270 2.604 -4.609 1.00 0.00 C ATOM 1215 CG PHE A 585 -3.222 1.445 -4.563 1.00 0.00 C ATOM 1216 CD1 PHE A 585 -2.855 0.275 -3.928 1.00 0.00 C ATOM 1217 CD2 PHE A 585 -4.478 1.524 -5.141 1.00 0.00 C ATOM 1218 CE1 PHE A 585 -3.714 -0.799 -3.869 1.00 0.00 C ATOM 1219 CE2 PHE A 585 -5.345 0.449 -5.086 1.00 0.00 C ATOM 1220 CZ PHE A 585 -4.959 -0.715 -4.448 1.00 0.00 C ATOM 0 H PHE A 585 -3.601 4.565 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 585 -1.821 2.400 -2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 585 -2.668 3.370 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 585 -1.322 2.274 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 585 -1.879 0.201 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 585 -4.782 2.433 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 585 -3.411 -1.707 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 585 -6.322 0.518 -5.541 1.00 0.00 H new ATOM 0 HZ PHE A 585 -5.634 -1.557 -4.404 1.00 0.00 H new ATOM 1230 N SER A 586 -0.982 5.343 -2.790 1.00 0.00 N ATOM 1231 CA SER A 586 0.126 6.256 -2.578 1.00 0.00 C ATOM 1232 C SER A 586 1.092 5.698 -1.527 1.00 0.00 C ATOM 1233 O SER A 586 0.727 5.541 -0.358 1.00 0.00 O ATOM 1234 CB SER A 586 -0.416 7.612 -2.125 1.00 0.00 C ATOM 1235 OG SER A 586 -1.397 8.093 -3.030 1.00 0.00 O ATOM 0 H SER A 586 -1.897 5.733 -2.561 1.00 0.00 H new ATOM 0 HA SER A 586 0.672 6.375 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 586 -0.848 7.521 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 586 0.401 8.329 -2.053 1.00 0.00 H new ATOM 0 HG SER A 586 -1.731 8.960 -2.720 1.00 0.00 H new ATOM 1241 N PRO A 587 2.343 5.393 -1.928 1.00 0.00 N ATOM 1242 CA PRO A 587 3.367 4.868 -1.016 1.00 0.00 C ATOM 1243 C PRO A 587 3.932 5.954 -0.108 1.00 0.00 C ATOM 1244 O PRO A 587 4.919 5.748 0.592 1.00 0.00 O ATOM 1245 CB PRO A 587 4.444 4.356 -1.968 1.00 0.00 C ATOM 1246 CG PRO A 587 4.335 5.260 -3.144 1.00 0.00 C ATOM 1247 CD PRO A 587 2.863 5.524 -3.306 1.00 0.00 C ATOM 0 HA PRO A 587 2.974 4.106 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 587 5.434 4.405 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 587 4.272 3.316 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 587 4.885 6.187 -2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 587 4.752 4.795 -4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 587 2.674 6.517 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 587 2.397 4.807 -3.982 1.00 0.00 H new ATOM 1255 N ARG A 588 3.288 7.111 -0.124 1.00 0.00 N ATOM 1256 CA ARG A 588 3.662 8.224 0.728 1.00 0.00 C ATOM 1257 C ARG A 588 2.749 8.238 1.939 1.00 0.00 C ATOM 1258 O ARG A 588 2.856 9.088 2.821 1.00 0.00 O ATOM 1259 CB ARG A 588 3.548 9.538 -0.047 1.00 0.00 C ATOM 1260 CG ARG A 588 4.243 9.493 -1.398 1.00 0.00 C ATOM 1261 CD ARG A 588 4.114 10.807 -2.144 1.00 0.00 C ATOM 1262 NE ARG A 588 4.649 10.708 -3.499 1.00 0.00 N ATOM 1263 CZ ARG A 588 5.424 11.628 -4.065 1.00 0.00 C ATOM 1264 NH1 ARG A 588 5.775 12.714 -3.389 1.00 0.00 N ATOM 1265 NH2 ARG A 588 5.853 11.460 -5.308 1.00 0.00 N ATOM 0 H ARG A 588 2.490 7.303 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 588 4.696 8.112 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 588 2.495 9.776 -0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 588 3.977 10.343 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 588 5.298 9.258 -1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 588 3.816 8.691 -1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 588 3.065 11.101 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 588 4.643 11.589 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 588 4.413 9.880 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 588 5.450 12.846 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 588 6.370 13.417 -3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 588 5.588 10.625 -5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 588 6.448 12.166 -5.742 1.00 0.00 H new ATOM 1279 N MET A 589 1.842 7.272 1.953 1.00 0.00 N ATOM 1280 CA MET A 589 0.908 7.110 3.047 1.00 0.00 C ATOM 1281 C MET A 589 1.407 6.040 4.011 1.00 0.00 C ATOM 1282 O MET A 589 1.330 4.846 3.718 1.00 0.00 O ATOM 1283 CB MET A 589 -0.472 6.729 2.509 1.00 0.00 C ATOM 1284 CG MET A 589 -1.563 6.835 3.548 1.00 0.00 C ATOM 1285 SD MET A 589 -1.812 8.521 4.127 1.00 0.00 S ATOM 1286 CE MET A 589 -2.470 9.285 2.650 1.00 0.00 C ATOM 0 H MET A 589 1.736 6.584 1.208 1.00 0.00 H new ATOM 0 HA MET A 589 0.829 8.056 3.583 1.00 0.00 H new ATOM 0 HB2 MET A 589 -0.718 7.375 1.666 1.00 0.00 H new ATOM 0 HB3 MET A 589 -0.438 5.708 2.129 1.00 0.00 H new ATOM 0 HG2 MET A 589 -2.496 6.458 3.129 1.00 0.00 H new ATOM 0 HG3 MET A 589 -1.314 6.197 4.396 1.00 0.00 H new ATOM 0 HE1 MET A 589 -2.874 10.267 2.897 1.00 0.00 H new ATOM 0 HE2 MET A 589 -1.675 9.395 1.912 1.00 0.00 H new ATOM 0 HE3 MET A 589 -3.263 8.660 2.239 1.00 0.00 H new ATOM 1296 N PRO A 590 1.927 6.457 5.172 1.00 0.00 N ATOM 1297 CA PRO A 590 2.516 5.548 6.158 1.00 0.00 C ATOM 1298 C PRO A 590 1.468 4.855 7.022 1.00 0.00 C ATOM 1299 O PRO A 590 1.367 5.112 8.220 1.00 0.00 O ATOM 1300 CB PRO A 590 3.374 6.485 7.006 1.00 0.00 C ATOM 1301 CG PRO A 590 2.649 7.786 6.971 1.00 0.00 C ATOM 1302 CD PRO A 590 1.984 7.863 5.621 1.00 0.00 C ATOM 0 HA PRO A 590 3.068 4.733 5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 590 3.477 6.115 8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 590 4.380 6.580 6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 590 1.911 7.842 7.772 1.00 0.00 H new ATOM 0 HG3 PRO A 590 3.338 8.619 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 590 0.988 8.301 5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 590 2.556 8.481 4.929 1.00 0.00 H new ATOM 1310 N VAL A 591 0.690 3.974 6.414 1.00 0.00 N ATOM 1311 CA VAL A 591 -0.406 3.344 7.126 1.00 0.00 C ATOM 1312 C VAL A 591 -0.097 1.926 7.599 1.00 0.00 C ATOM 1313 O VAL A 591 0.055 1.716 8.803 1.00 0.00 O ATOM 1314 CB VAL A 591 -1.697 3.383 6.297 1.00 0.00 C ATOM 1315 CG1 VAL A 591 -2.791 2.574 6.959 1.00 0.00 C ATOM 1316 CG2 VAL A 591 -2.123 4.822 6.142 1.00 0.00 C ATOM 0 H VAL A 591 0.796 3.683 5.442 1.00 0.00 H new ATOM 0 HA VAL A 591 -0.552 3.933 8.031 1.00 0.00 H new ATOM 0 HB VAL A 591 -1.513 2.942 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 591 -3.695 2.618 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 591 -2.469 1.537 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 591 -2.998 2.983 7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 591 -3.040 4.869 5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 591 -2.299 5.257 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 591 -1.338 5.381 5.633 1.00 0.00 H new ATOM 1326 N GLY A 592 0.001 0.947 6.700 1.00 0.00 N ATOM 1327 CA GLY A 592 0.151 -0.421 7.144 1.00 0.00 C ATOM 1328 C GLY A 592 1.589 -0.868 7.158 1.00 0.00 C ATOM 1329 O GLY A 592 2.387 -0.412 7.978 1.00 0.00 O ATOM 0 H GLY A 592 -0.021 1.078 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 592 -0.268 -0.523 8.145 1.00 0.00 H new ATOM 0 HA3 GLY A 592 -0.424 -1.077 6.490 1.00 0.00 H new ATOM 1333 N ASP A 593 1.927 -1.746 6.237 1.00 0.00 N ATOM 1334 CA ASP A 593 3.245 -2.324 6.202 1.00 0.00 C ATOM 1335 C ASP A 593 4.086 -1.700 5.109 1.00 0.00 C ATOM 1336 O ASP A 593 3.617 -1.449 4.009 1.00 0.00 O ATOM 1337 CB ASP A 593 3.168 -3.837 6.003 1.00 0.00 C ATOM 1338 CG ASP A 593 2.672 -4.572 7.230 1.00 0.00 C ATOM 1339 OD1 ASP A 593 1.441 -4.701 7.399 1.00 0.00 O ATOM 1340 OD2 ASP A 593 3.512 -5.037 8.027 1.00 0.00 O ATOM 0 H ASP A 593 1.301 -2.073 5.501 1.00 0.00 H new ATOM 0 HA ASP A 593 3.720 -2.120 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.506 -4.054 5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.155 -4.213 5.736 1.00 0.00 H new ATOM 1345 N PHE A 594 5.317 -1.429 5.458 1.00 0.00 N ATOM 1346 CA PHE A 594 6.304 -0.922 4.510 1.00 0.00 C ATOM 1347 C PHE A 594 7.520 -1.827 4.453 1.00 0.00 C ATOM 1348 O PHE A 594 8.051 -2.229 5.486 1.00 0.00 O ATOM 1349 CB PHE A 594 6.728 0.499 4.871 1.00 0.00 C ATOM 1350 CG PHE A 594 5.835 1.563 4.297 1.00 0.00 C ATOM 1351 CD1 PHE A 594 4.541 1.735 4.761 1.00 0.00 C ATOM 1352 CD2 PHE A 594 6.301 2.399 3.296 1.00 0.00 C ATOM 1353 CE1 PHE A 594 3.728 2.720 4.237 1.00 0.00 C ATOM 1354 CE2 PHE A 594 5.492 3.385 2.766 1.00 0.00 C ATOM 1355 CZ PHE A 594 4.204 3.546 3.237 1.00 0.00 C ATOM 0 H PHE A 594 5.674 -1.550 6.406 1.00 0.00 H new ATOM 0 HA PHE A 594 5.836 -0.907 3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 594 6.745 0.598 5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 594 7.747 0.664 4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 594 4.164 1.091 5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 594 7.308 2.279 2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 594 2.721 2.845 4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 594 5.866 4.029 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 594 3.570 4.316 2.824 1.00 0.00 H new ATOM 1365 N PHE A 595 7.942 -2.165 3.242 1.00 0.00 N ATOM 1366 CA PHE A 595 9.101 -3.017 3.045 1.00 0.00 C ATOM 1367 C PHE A 595 10.062 -2.391 2.048 1.00 0.00 C ATOM 1368 O PHE A 595 9.660 -1.618 1.179 1.00 0.00 O ATOM 1369 CB PHE A 595 8.661 -4.394 2.532 1.00 0.00 C ATOM 1370 CG PHE A 595 7.529 -4.989 3.315 1.00 0.00 C ATOM 1371 CD1 PHE A 595 6.216 -4.717 2.967 1.00 0.00 C ATOM 1372 CD2 PHE A 595 7.773 -5.802 4.408 1.00 0.00 C ATOM 1373 CE1 PHE A 595 5.174 -5.243 3.693 1.00 0.00 C ATOM 1374 CE2 PHE A 595 6.727 -6.334 5.136 1.00 0.00 C ATOM 1375 CZ PHE A 595 5.426 -6.050 4.775 1.00 0.00 C ATOM 0 H PHE A 595 7.494 -1.859 2.378 1.00 0.00 H new ATOM 0 HA PHE A 595 9.608 -3.130 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 595 8.363 -4.306 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 595 9.512 -5.074 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 595 6.009 -4.085 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 595 8.791 -6.022 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 595 4.155 -5.021 3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 595 6.927 -6.970 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 595 4.606 -6.463 5.344 1.00 0.00 H new ATOM 1385 N GLU A 596 11.325 -2.744 2.178 1.00 0.00 N ATOM 1386 CA GLU A 596 12.345 -2.290 1.253 1.00 0.00 C ATOM 1387 C GLU A 596 13.184 -3.484 0.820 1.00 0.00 C ATOM 1388 O GLU A 596 13.691 -4.228 1.662 1.00 0.00 O ATOM 1389 CB GLU A 596 13.233 -1.235 1.918 1.00 0.00 C ATOM 1390 CG GLU A 596 14.361 -0.743 1.024 1.00 0.00 C ATOM 1391 CD GLU A 596 15.297 0.224 1.717 1.00 0.00 C ATOM 1392 OE1 GLU A 596 16.194 -0.232 2.460 1.00 0.00 O ATOM 1393 OE2 GLU A 596 15.158 1.444 1.509 1.00 0.00 O ATOM 0 H GLU A 596 11.672 -3.349 2.922 1.00 0.00 H new ATOM 0 HA GLU A 596 11.872 -1.838 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 596 12.617 -0.386 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 596 13.659 -1.652 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 596 14.933 -1.600 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 596 13.934 -0.258 0.146 1.00 0.00 H new ATOM 1400 N GLU A 597 13.318 -3.687 -0.480 1.00 0.00 N ATOM 1401 CA GLU A 597 14.048 -4.827 -1.004 1.00 0.00 C ATOM 1402 C GLU A 597 15.547 -4.607 -0.843 1.00 0.00 C ATOM 1403 O GLU A 597 16.096 -3.603 -1.305 1.00 0.00 O ATOM 1404 CB GLU A 597 13.685 -5.041 -2.475 1.00 0.00 C ATOM 1405 CG GLU A 597 14.528 -6.092 -3.174 1.00 0.00 C ATOM 1406 CD GLU A 597 14.099 -6.319 -4.606 1.00 0.00 C ATOM 1407 OE1 GLU A 597 14.494 -5.519 -5.480 1.00 0.00 O ATOM 1408 OE2 GLU A 597 13.366 -7.297 -4.866 1.00 0.00 O ATOM 0 H GLU A 597 12.928 -3.073 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 597 13.772 -5.721 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 597 12.636 -5.329 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 597 13.790 -4.095 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 597 15.574 -5.786 -3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 597 14.461 -7.031 -2.625 1.00 0.00 H new ATOM 1415 N ARG A 598 16.199 -5.551 -0.182 1.00 0.00 N ATOM 1416 CA ARG A 598 17.600 -5.422 0.177 1.00 0.00 C ATOM 1417 C ARG A 598 18.367 -6.682 -0.207 1.00 0.00 C ATOM 1418 O ARG A 598 17.776 -7.754 -0.365 1.00 0.00 O ATOM 1419 CB ARG A 598 17.711 -5.177 1.688 1.00 0.00 C ATOM 1420 CG ARG A 598 19.135 -5.066 2.202 1.00 0.00 C ATOM 1421 CD ARG A 598 19.185 -4.961 3.716 1.00 0.00 C ATOM 1422 NE ARG A 598 20.550 -4.765 4.201 1.00 0.00 N ATOM 1423 CZ ARG A 598 20.878 -4.649 5.488 1.00 0.00 C ATOM 1424 NH1 ARG A 598 19.957 -4.796 6.435 1.00 0.00 N ATOM 1425 NH2 ARG A 598 22.137 -4.413 5.829 1.00 0.00 N ATOM 0 H ARG A 598 15.771 -6.426 0.120 1.00 0.00 H new ATOM 0 HA ARG A 598 18.033 -4.580 -0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 598 17.176 -4.260 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 598 17.210 -5.990 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 598 19.706 -5.937 1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 598 19.613 -4.191 1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 598 18.560 -4.130 4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 598 18.769 -5.867 4.157 1.00 0.00 H new ATOM 0 HE ARG A 598 21.299 -4.714 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 598 18.991 -4.999 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 598 20.217 -4.706 7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 598 22.852 -4.321 5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 598 22.391 -4.324 6.813 1.00 0.00 H new ATOM 1439 N ASP A 599 19.678 -6.551 -0.348 1.00 0.00 N ATOM 1440 CA ASP A 599 20.542 -7.685 -0.619 1.00 0.00 C ATOM 1441 C ASP A 599 21.177 -8.212 0.652 1.00 0.00 C ATOM 1442 O ASP A 599 21.604 -7.454 1.524 1.00 0.00 O ATOM 1443 CB ASP A 599 21.630 -7.304 -1.626 1.00 0.00 C ATOM 1444 CG ASP A 599 22.632 -6.306 -1.071 1.00 0.00 C ATOM 1445 OD1 ASP A 599 22.246 -5.144 -0.808 1.00 0.00 O ATOM 1446 OD2 ASP A 599 23.809 -6.681 -0.890 1.00 0.00 O ATOM 0 H ASP A 599 20.168 -5.659 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 599 19.923 -8.475 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 599 22.158 -8.204 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 599 21.162 -6.883 -2.516 1.00 0.00 H new ATOM 1451 N THR A 600 21.192 -9.520 0.754 1.00 0.00 N ATOM 1452 CA THR A 600 21.795 -10.216 1.873 1.00 0.00 C ATOM 1453 C THR A 600 22.730 -11.288 1.342 1.00 0.00 C ATOM 1454 O THR A 600 22.665 -11.632 0.160 1.00 0.00 O ATOM 1455 CB THR A 600 20.705 -10.868 2.746 1.00 0.00 C ATOM 1456 OG1 THR A 600 20.175 -12.013 2.079 1.00 0.00 O ATOM 1457 CG2 THR A 600 19.578 -9.891 2.998 1.00 0.00 C ATOM 0 H THR A 600 20.782 -10.141 0.056 1.00 0.00 H new ATOM 0 HA THR A 600 22.352 -9.504 2.482 1.00 0.00 H new ATOM 0 HB THR A 600 21.153 -11.160 3.696 1.00 0.00 H new ATOM 0 HG1 THR A 600 19.598 -11.724 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 600 18.816 -10.366 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 600 19.967 -9.012 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 600 19.138 -9.590 2.047 1.00 0.00 H new ATOM 1465 N PRO A 601 23.612 -11.826 2.188 1.00 0.00 N ATOM 1466 CA PRO A 601 24.526 -12.901 1.797 1.00 0.00 C ATOM 1467 C PRO A 601 23.791 -14.180 1.381 1.00 0.00 C ATOM 1468 O PRO A 601 24.401 -15.107 0.844 1.00 0.00 O ATOM 1469 CB PRO A 601 25.373 -13.132 3.052 1.00 0.00 C ATOM 1470 CG PRO A 601 24.575 -12.563 4.171 1.00 0.00 C ATOM 1471 CD PRO A 601 23.816 -11.412 3.585 1.00 0.00 C ATOM 0 HA PRO A 601 25.117 -12.631 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 601 25.567 -14.193 3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 601 26.342 -12.640 2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 601 23.897 -13.308 4.586 1.00 0.00 H new ATOM 0 HG3 PRO A 601 25.221 -12.232 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 601 22.869 -11.249 4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 601 24.379 -10.481 3.652 1.00 0.00 H new ATOM 1479 N GLU A 602 22.483 -14.229 1.630 1.00 0.00 N ATOM 1480 CA GLU A 602 21.669 -15.354 1.193 1.00 0.00 C ATOM 1481 C GLU A 602 20.874 -14.978 -0.060 1.00 0.00 C ATOM 1482 O GLU A 602 20.306 -15.836 -0.733 1.00 0.00 O ATOM 1483 CB GLU A 602 20.723 -15.803 2.309 1.00 0.00 C ATOM 1484 CG GLU A 602 19.513 -14.911 2.494 1.00 0.00 C ATOM 1485 CD GLU A 602 18.614 -15.388 3.609 1.00 0.00 C ATOM 1486 OE1 GLU A 602 17.704 -16.199 3.342 1.00 0.00 O ATOM 1487 OE2 GLU A 602 18.805 -14.943 4.760 1.00 0.00 O ATOM 0 H GLU A 602 21.969 -13.504 2.130 1.00 0.00 H new ATOM 0 HA GLU A 602 22.332 -16.185 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 602 20.384 -16.817 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 602 21.278 -15.843 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 602 19.843 -13.894 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.946 -14.874 1.564 1.00 0.00 H new ATOM 1494 N GLY A 603 20.846 -13.687 -0.364 1.00 0.00 N ATOM 1495 CA GLY A 603 20.128 -13.229 -1.528 1.00 0.00 C ATOM 1496 C GLY A 603 19.263 -12.021 -1.266 1.00 0.00 C ATOM 1497 O GLY A 603 19.440 -11.313 -0.279 1.00 0.00 O ATOM 0 H GLY A 603 21.307 -12.954 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 603 20.843 -12.990 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 603 19.502 -14.040 -1.901 1.00 0.00 H new ATOM 1501 N LEU A 604 18.331 -11.788 -2.163 1.00 0.00 N ATOM 1502 CA LEU A 604 17.416 -10.667 -2.054 1.00 0.00 C ATOM 1503 C LEU A 604 16.199 -11.044 -1.232 1.00 0.00 C ATOM 1504 O LEU A 604 15.535 -12.046 -1.497 1.00 0.00 O ATOM 1505 CB LEU A 604 16.975 -10.196 -3.439 1.00 0.00 C ATOM 1506 CG LEU A 604 18.060 -9.511 -4.263 1.00 0.00 C ATOM 1507 CD1 LEU A 604 17.621 -9.382 -5.712 1.00 0.00 C ATOM 1508 CD2 LEU A 604 18.387 -8.141 -3.689 1.00 0.00 C ATOM 0 H LEU A 604 18.184 -12.368 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 604 17.941 -9.854 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 604 16.604 -11.056 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 604 16.139 -9.507 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 604 18.959 -10.125 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 604 18.406 -8.891 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 604 17.434 -10.373 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 604 16.708 -8.789 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 604 19.163 -7.670 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 604 17.492 -7.519 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 604 18.741 -8.251 -2.664 1.00 0.00 H new ATOM 1520 N GLN A 605 15.927 -10.240 -0.228 1.00 0.00 N ATOM 1521 CA GLN A 605 14.744 -10.431 0.602 1.00 0.00 C ATOM 1522 C GLN A 605 14.152 -9.080 0.960 1.00 0.00 C ATOM 1523 O GLN A 605 14.866 -8.073 0.983 1.00 0.00 O ATOM 1524 CB GLN A 605 15.056 -11.234 1.853 1.00 0.00 C ATOM 1525 CG GLN A 605 16.080 -10.590 2.753 1.00 0.00 C ATOM 1526 CD GLN A 605 16.607 -11.572 3.760 1.00 0.00 C ATOM 1527 OE1 GLN A 605 16.091 -11.688 4.871 1.00 0.00 O ATOM 1528 NE2 GLN A 605 17.620 -12.309 3.358 1.00 0.00 N ATOM 0 H GLN A 605 16.506 -9.444 0.039 1.00 0.00 H new ATOM 0 HA GLN A 605 14.014 -11.005 0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.135 -11.384 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 605 15.414 -12.221 1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.903 -10.202 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.633 -9.740 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 605 18.012 -12.173 2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 605 18.014 -13.017 3.978 1.00 0.00 H new ATOM 1537 N TRP A 606 12.853 -9.043 1.208 1.00 0.00 N ATOM 1538 CA TRP A 606 12.168 -7.795 1.482 1.00 0.00 C ATOM 1539 C TRP A 606 12.285 -7.475 2.962 1.00 0.00 C ATOM 1540 O TRP A 606 11.727 -8.180 3.803 1.00 0.00 O ATOM 1541 CB TRP A 606 10.692 -7.890 1.083 1.00 0.00 C ATOM 1542 CG TRP A 606 10.455 -7.723 -0.384 1.00 0.00 C ATOM 1543 CD1 TRP A 606 10.329 -8.705 -1.324 1.00 0.00 C ATOM 1544 CD2 TRP A 606 10.312 -6.484 -1.076 1.00 0.00 C ATOM 1545 NE1 TRP A 606 10.120 -8.144 -2.563 1.00 0.00 N ATOM 1546 CE2 TRP A 606 10.105 -6.779 -2.434 1.00 0.00 C ATOM 1547 CE3 TRP A 606 10.341 -5.152 -0.671 1.00 0.00 C ATOM 1548 CZ2 TRP A 606 9.927 -5.781 -3.392 1.00 0.00 C ATOM 1549 CZ3 TRP A 606 10.165 -4.168 -1.616 1.00 0.00 C ATOM 1550 CH2 TRP A 606 9.960 -4.482 -2.962 1.00 0.00 C ATOM 0 H TRP A 606 12.252 -9.867 1.225 1.00 0.00 H new ATOM 0 HA TRP A 606 12.630 -7.000 0.896 1.00 0.00 H new ATOM 0 HB2 TRP A 606 10.301 -8.858 1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 606 10.129 -7.128 1.622 1.00 0.00 H new ATOM 0 HD1 TRP A 606 10.385 -9.765 -1.125 1.00 0.00 H new ATOM 0 HE1 TRP A 606 9.996 -8.659 -3.435 1.00 0.00 H new ATOM 0 HE3 TRP A 606 10.499 -4.896 0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 606 9.769 -6.024 -4.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 606 10.186 -3.132 -1.311 1.00 0.00 H new ATOM 0 HH2 TRP A 606 9.825 -3.684 -3.677 1.00 0.00 H new ATOM 1561 N VAL A 607 13.030 -6.434 3.289 1.00 0.00 N ATOM 1562 CA VAL A 607 13.215 -6.053 4.676 1.00 0.00 C ATOM 1563 C VAL A 607 12.179 -5.022 5.087 1.00 0.00 C ATOM 1564 O VAL A 607 12.044 -3.970 4.464 1.00 0.00 O ATOM 1565 CB VAL A 607 14.630 -5.480 4.907 1.00 0.00 C ATOM 1566 CG1 VAL A 607 14.854 -5.153 6.376 1.00 0.00 C ATOM 1567 CG2 VAL A 607 15.688 -6.451 4.405 1.00 0.00 C ATOM 0 H VAL A 607 13.514 -5.840 2.616 1.00 0.00 H new ATOM 0 HA VAL A 607 13.094 -6.948 5.286 1.00 0.00 H new ATOM 0 HB VAL A 607 14.716 -4.553 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 607 15.858 -4.751 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 607 14.121 -4.414 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 607 14.743 -6.059 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 607 16.679 -6.030 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 607 15.598 -7.396 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.547 -6.624 3.338 1.00 0.00 H new ATOM 1577 N GLN A 608 11.450 -5.348 6.137 1.00 0.00 N ATOM 1578 CA GLN A 608 10.361 -4.520 6.614 1.00 0.00 C ATOM 1579 C GLN A 608 10.904 -3.278 7.304 1.00 0.00 C ATOM 1580 O GLN A 608 11.835 -3.348 8.109 1.00 0.00 O ATOM 1581 CB GLN A 608 9.470 -5.314 7.575 1.00 0.00 C ATOM 1582 CG GLN A 608 8.342 -4.496 8.182 1.00 0.00 C ATOM 1583 CD GLN A 608 7.426 -5.320 9.052 1.00 0.00 C ATOM 1584 OE1 GLN A 608 7.665 -5.487 10.247 1.00 0.00 O ATOM 1585 NE2 GLN A 608 6.361 -5.826 8.467 1.00 0.00 N ATOM 0 H GLN A 608 11.597 -6.196 6.684 1.00 0.00 H new ATOM 0 HA GLN A 608 9.761 -4.209 5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 608 9.044 -6.164 7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 608 10.087 -5.718 8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 608 8.765 -3.685 8.774 1.00 0.00 H new ATOM 0 HG3 GLN A 608 7.761 -4.037 7.382 1.00 0.00 H new ATOM 0 HE21 GLN A 608 6.200 -5.664 7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 608 5.697 -6.380 9.008 1.00 0.00 H new ATOM 1594 N LEU A 609 10.306 -2.145 6.984 1.00 0.00 N ATOM 1595 CA LEU A 609 10.732 -0.868 7.514 1.00 0.00 C ATOM 1596 C LEU A 609 9.863 -0.535 8.710 1.00 0.00 C ATOM 1597 O LEU A 609 8.670 -0.849 8.708 1.00 0.00 O ATOM 1598 CB LEU A 609 10.557 0.221 6.452 1.00 0.00 C ATOM 1599 CG LEU A 609 11.324 0.001 5.151 1.00 0.00 C ATOM 1600 CD1 LEU A 609 10.741 0.863 4.041 1.00 0.00 C ATOM 1601 CD2 LEU A 609 12.797 0.316 5.353 1.00 0.00 C ATOM 0 H LEU A 609 9.510 -2.087 6.348 1.00 0.00 H new ATOM 0 HA LEU A 609 11.782 -0.920 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 609 9.496 0.308 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 609 10.868 1.174 6.880 1.00 0.00 H new ATOM 0 HG LEU A 609 11.229 -1.045 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 609 11.298 0.695 3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 609 9.695 0.598 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 609 10.811 1.914 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 609 13.335 0.156 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 609 12.908 1.355 5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 609 13.206 -0.337 6.124 1.00 0.00 H new ATOM 1613 N SER A 610 10.426 0.081 9.732 1.00 0.00 N ATOM 1614 CA SER A 610 9.655 0.536 10.860 1.00 0.00 C ATOM 1615 C SER A 610 8.967 1.834 10.489 1.00 0.00 C ATOM 1616 O SER A 610 9.326 2.461 9.490 1.00 0.00 O ATOM 1617 CB SER A 610 10.575 0.725 12.064 1.00 0.00 C ATOM 1618 OG SER A 610 11.405 -0.413 12.242 1.00 0.00 O ATOM 0 H SER A 610 11.425 0.277 9.799 1.00 0.00 H new ATOM 0 HA SER A 610 8.897 -0.201 11.126 1.00 0.00 H new ATOM 0 HB2 SER A 610 11.191 1.613 11.922 1.00 0.00 H new ATOM 0 HB3 SER A 610 9.979 0.891 12.961 1.00 0.00 H new ATOM 0 HG SER A 610 11.989 -0.274 13.017 1.00 0.00 H new ATOM 1624 N ALA A 611 7.984 2.233 11.276 1.00 0.00 N ATOM 1625 CA ALA A 611 7.217 3.437 11.002 1.00 0.00 C ATOM 1626 C ALA A 611 8.122 4.647 10.797 1.00 0.00 C ATOM 1627 O ALA A 611 7.808 5.536 10.010 1.00 0.00 O ATOM 1628 CB ALA A 611 6.232 3.698 12.128 1.00 0.00 C ATOM 0 H ALA A 611 7.695 1.736 12.118 1.00 0.00 H new ATOM 0 HA ALA A 611 6.666 3.277 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 611 5.663 4.602 11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 611 5.550 2.853 12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 611 6.775 3.826 13.064 1.00 0.00 H new ATOM 1634 N GLU A 612 9.241 4.674 11.505 1.00 0.00 N ATOM 1635 CA GLU A 612 10.164 5.801 11.424 1.00 0.00 C ATOM 1636 C GLU A 612 11.048 5.720 10.178 1.00 0.00 C ATOM 1637 O GLU A 612 11.548 6.737 9.699 1.00 0.00 O ATOM 1638 CB GLU A 612 11.023 5.875 12.684 1.00 0.00 C ATOM 1639 CG GLU A 612 10.217 6.117 13.949 1.00 0.00 C ATOM 1640 CD GLU A 612 9.417 7.402 13.896 1.00 0.00 C ATOM 1641 OE1 GLU A 612 8.268 7.376 13.405 1.00 0.00 O ATOM 1642 OE2 GLU A 612 9.930 8.444 14.355 1.00 0.00 O ATOM 0 H GLU A 612 9.533 3.932 12.141 1.00 0.00 H new ATOM 0 HA GLU A 612 9.569 6.711 11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 612 11.581 4.945 12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 612 11.755 6.675 12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 612 9.539 5.278 14.109 1.00 0.00 H new ATOM 0 HG3 GLU A 612 10.892 6.149 14.804 1.00 0.00 H new ATOM 1649 N GLU A 613 11.240 4.516 9.651 1.00 0.00 N ATOM 1650 CA GLU A 613 12.024 4.325 8.434 1.00 0.00 C ATOM 1651 C GLU A 613 11.176 4.603 7.204 1.00 0.00 C ATOM 1652 O GLU A 613 11.691 4.975 6.146 1.00 0.00 O ATOM 1653 CB GLU A 613 12.570 2.903 8.375 1.00 0.00 C ATOM 1654 CG GLU A 613 13.650 2.631 9.403 1.00 0.00 C ATOM 1655 CD GLU A 613 14.934 3.371 9.097 1.00 0.00 C ATOM 1656 OE1 GLU A 613 15.057 4.549 9.480 1.00 0.00 O ATOM 1657 OE2 GLU A 613 15.829 2.772 8.466 1.00 0.00 O ATOM 0 H GLU A 613 10.863 3.655 10.048 1.00 0.00 H new ATOM 0 HA GLU A 613 12.858 5.026 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 613 11.750 2.200 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 613 12.971 2.717 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 613 13.291 2.924 10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 613 13.851 1.560 9.441 1.00 0.00 H new ATOM 1664 N ILE A 614 9.874 4.403 7.364 1.00 0.00 N ATOM 1665 CA ILE A 614 8.899 4.635 6.303 1.00 0.00 C ATOM 1666 C ILE A 614 9.091 5.990 5.594 1.00 0.00 C ATOM 1667 O ILE A 614 9.338 6.019 4.388 1.00 0.00 O ATOM 1668 CB ILE A 614 7.462 4.548 6.868 1.00 0.00 C ATOM 1669 CG1 ILE A 614 7.109 3.105 7.231 1.00 0.00 C ATOM 1670 CG2 ILE A 614 6.459 5.131 5.889 1.00 0.00 C ATOM 1671 CD1 ILE A 614 5.706 2.941 7.780 1.00 0.00 C ATOM 0 H ILE A 614 9.462 4.074 8.237 1.00 0.00 H new ATOM 0 HA ILE A 614 9.060 3.854 5.559 1.00 0.00 H new ATOM 0 HB ILE A 614 7.418 5.142 7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 614 7.218 2.480 6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 614 7.823 2.740 7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 614 5.456 5.058 6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 614 6.699 6.178 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 614 6.501 4.576 4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 614 5.528 1.892 8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 614 5.597 3.539 8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 614 4.983 3.274 7.036 1.00 0.00 H new ATOM 1683 N PRO A 615 9.023 7.127 6.325 1.00 0.00 N ATOM 1684 CA PRO A 615 9.112 8.462 5.718 1.00 0.00 C ATOM 1685 C PRO A 615 10.442 8.705 5.021 1.00 0.00 C ATOM 1686 O PRO A 615 10.509 9.438 4.036 1.00 0.00 O ATOM 1687 CB PRO A 615 8.948 9.417 6.902 1.00 0.00 C ATOM 1688 CG PRO A 615 9.288 8.601 8.095 1.00 0.00 C ATOM 1689 CD PRO A 615 8.835 7.215 7.780 1.00 0.00 C ATOM 0 HA PRO A 615 8.359 8.595 4.941 1.00 0.00 H new ATOM 0 HB2 PRO A 615 9.609 10.279 6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 615 7.930 9.802 6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 615 10.359 8.627 8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 615 8.789 8.983 8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 615 9.426 6.467 8.309 1.00 0.00 H new ATOM 0 HD3 PRO A 615 7.794 7.057 8.063 1.00 0.00 H new ATOM 1697 N SER A 616 11.494 8.065 5.513 1.00 0.00 N ATOM 1698 CA SER A 616 12.818 8.222 4.931 1.00 0.00 C ATOM 1699 C SER A 616 12.840 7.636 3.522 1.00 0.00 C ATOM 1700 O SER A 616 13.433 8.204 2.604 1.00 0.00 O ATOM 1701 CB SER A 616 13.854 7.531 5.813 1.00 0.00 C ATOM 1702 OG SER A 616 13.686 7.912 7.168 1.00 0.00 O ATOM 0 H SER A 616 11.456 7.433 6.313 1.00 0.00 H new ATOM 0 HA SER A 616 13.061 9.283 4.869 1.00 0.00 H new ATOM 0 HB2 SER A 616 13.757 6.449 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 616 14.858 7.792 5.478 1.00 0.00 H new ATOM 0 HG SER A 616 14.357 7.459 7.721 1.00 0.00 H new ATOM 1708 N ARG A 617 12.160 6.506 3.362 1.00 0.00 N ATOM 1709 CA ARG A 617 12.011 5.868 2.064 1.00 0.00 C ATOM 1710 C ARG A 617 11.055 6.655 1.182 1.00 0.00 C ATOM 1711 O ARG A 617 11.279 6.797 -0.022 1.00 0.00 O ATOM 1712 CB ARG A 617 11.534 4.426 2.224 1.00 0.00 C ATOM 1713 CG ARG A 617 12.665 3.423 2.379 1.00 0.00 C ATOM 1714 CD ARG A 617 13.518 3.699 3.607 1.00 0.00 C ATOM 1715 NE ARG A 617 14.654 2.785 3.681 1.00 0.00 N ATOM 1716 CZ ARG A 617 15.401 2.592 4.763 1.00 0.00 C ATOM 1717 NH1 ARG A 617 15.176 3.299 5.864 1.00 0.00 N ATOM 1718 NH2 ARG A 617 16.380 1.694 4.733 1.00 0.00 N ATOM 0 H ARG A 617 11.700 6.010 4.126 1.00 0.00 H new ATOM 0 HA ARG A 617 12.987 5.854 1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 617 10.882 4.363 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 617 10.934 4.153 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 617 12.249 2.418 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 617 13.294 3.448 1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 617 13.878 4.728 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 617 12.909 3.599 4.505 1.00 0.00 H new ATOM 0 HE ARG A 617 14.891 2.256 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 617 14.428 3.992 5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 617 15.751 3.149 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 617 16.554 1.158 3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 617 16.957 1.541 5.560 1.00 0.00 H new ATOM 1732 N ILE A 618 9.993 7.172 1.794 1.00 0.00 N ATOM 1733 CA ILE A 618 9.008 7.974 1.083 1.00 0.00 C ATOM 1734 C ILE A 618 9.668 9.166 0.403 1.00 0.00 C ATOM 1735 O ILE A 618 9.316 9.519 -0.713 1.00 0.00 O ATOM 1736 CB ILE A 618 7.903 8.490 2.030 1.00 0.00 C ATOM 1737 CG1 ILE A 618 7.119 7.321 2.627 1.00 0.00 C ATOM 1738 CG2 ILE A 618 6.970 9.444 1.299 1.00 0.00 C ATOM 1739 CD1 ILE A 618 6.007 7.746 3.564 1.00 0.00 C ATOM 0 H ILE A 618 9.794 7.047 2.787 1.00 0.00 H new ATOM 0 HA ILE A 618 8.556 7.326 0.332 1.00 0.00 H new ATOM 0 HB ILE A 618 8.378 9.036 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 618 6.693 6.730 1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 618 7.808 6.671 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 618 6.199 9.796 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 618 7.539 10.295 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 618 6.502 8.926 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 618 5.497 6.862 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 618 6.428 8.311 4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 618 5.295 8.371 3.024 1.00 0.00 H new ATOM 1751 N GLN A 619 10.633 9.768 1.080 1.00 0.00 N ATOM 1752 CA GLN A 619 11.343 10.931 0.555 1.00 0.00 C ATOM 1753 C GLN A 619 12.051 10.626 -0.761 1.00 0.00 C ATOM 1754 O GLN A 619 12.123 11.479 -1.645 1.00 0.00 O ATOM 1755 CB GLN A 619 12.334 11.452 1.586 1.00 0.00 C ATOM 1756 CG GLN A 619 11.655 12.037 2.809 1.00 0.00 C ATOM 1757 CD GLN A 619 10.799 13.242 2.475 1.00 0.00 C ATOM 1758 OE1 GLN A 619 11.283 14.373 2.455 1.00 0.00 O ATOM 1759 NE2 GLN A 619 9.517 13.014 2.230 1.00 0.00 N ATOM 0 H GLN A 619 10.947 9.469 2.003 1.00 0.00 H new ATOM 0 HA GLN A 619 10.601 11.703 0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 619 12.991 10.639 1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 619 12.963 12.214 1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 619 11.034 11.273 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 619 12.412 12.324 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 619 9.154 12.061 2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 619 8.893 13.791 2.015 1.00 0.00 H new ATOM 1768 N ALA A 620 12.555 9.411 -0.899 1.00 0.00 N ATOM 1769 CA ALA A 620 13.276 9.014 -2.103 1.00 0.00 C ATOM 1770 C ALA A 620 12.309 8.756 -3.250 1.00 0.00 C ATOM 1771 O ALA A 620 12.527 9.197 -4.378 1.00 0.00 O ATOM 1772 CB ALA A 620 14.108 7.771 -1.825 1.00 0.00 C ATOM 0 H ALA A 620 12.479 8.679 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 620 13.940 9.828 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 620 14.643 7.482 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 620 14.825 7.983 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 620 13.453 6.957 -1.515 1.00 0.00 H new ATOM 1778 N ILE A 621 11.232 8.047 -2.944 1.00 0.00 N ATOM 1779 CA ILE A 621 10.209 7.745 -3.938 1.00 0.00 C ATOM 1780 C ILE A 621 9.304 8.955 -4.154 1.00 0.00 C ATOM 1781 O ILE A 621 8.393 8.936 -4.980 1.00 0.00 O ATOM 1782 CB ILE A 621 9.361 6.524 -3.528 1.00 0.00 C ATOM 1783 CG1 ILE A 621 8.686 6.759 -2.176 1.00 0.00 C ATOM 1784 CG2 ILE A 621 10.231 5.279 -3.472 1.00 0.00 C ATOM 1785 CD1 ILE A 621 7.780 5.627 -1.752 1.00 0.00 C ATOM 0 H ILE A 621 11.043 7.670 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 621 10.719 7.504 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 621 8.582 6.380 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 621 9.453 6.904 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 621 8.106 7.680 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 621 9.622 4.423 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 621 10.669 5.097 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 621 11.026 5.424 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 621 7.335 5.860 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 621 6.991 5.495 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 621 8.360 4.707 -1.672 1.00 0.00 H new ATOM 1797 N THR A 622 9.576 10.002 -3.395 1.00 0.00 N ATOM 1798 CA THR A 622 8.842 11.242 -3.472 1.00 0.00 C ATOM 1799 C THR A 622 9.201 12.023 -4.741 1.00 0.00 C ATOM 1800 O THR A 622 8.367 12.749 -5.292 1.00 0.00 O ATOM 1801 CB THR A 622 9.117 12.072 -2.196 1.00 0.00 C ATOM 1802 OG1 THR A 622 8.104 11.813 -1.217 1.00 0.00 O ATOM 1803 CG2 THR A 622 9.213 13.555 -2.471 1.00 0.00 C ATOM 0 H THR A 622 10.323 10.010 -2.701 1.00 0.00 H new ATOM 0 HA THR A 622 7.775 11.026 -3.530 1.00 0.00 H new ATOM 0 HB THR A 622 10.089 11.760 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 622 8.186 10.890 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 622 9.407 14.086 -1.539 1.00 0.00 H new ATOM 0 HG22 THR A 622 10.026 13.743 -3.172 1.00 0.00 H new ATOM 0 HG23 THR A 622 8.275 13.907 -2.901 1.00 0.00 H new ATOM 1811 N GLY A 623 10.425 11.852 -5.217 1.00 0.00 N ATOM 1812 CA GLY A 623 10.847 12.550 -6.411 1.00 0.00 C ATOM 1813 C GLY A 623 12.139 12.008 -6.976 1.00 0.00 C ATOM 1814 O GLY A 623 12.135 11.056 -7.755 1.00 0.00 O ATOM 0 H GLY A 623 11.130 11.245 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 623 10.065 12.475 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 623 10.970 13.609 -6.184 1.00 0.00 H new ATOM 1818 N SER A 624 13.246 12.606 -6.572 1.00 0.00 N ATOM 1819 CA SER A 624 14.548 12.228 -7.087 1.00 0.00 C ATOM 1820 C SER A 624 15.585 12.261 -5.969 1.00 0.00 C ATOM 1821 O SER A 624 15.934 11.180 -5.450 1.00 0.00 O ATOM 1822 CB SER A 624 14.951 13.167 -8.226 1.00 0.00 C ATOM 1823 OG SER A 624 13.958 13.191 -9.242 1.00 0.00 O ATOM 1824 OXT SER A 624 16.025 13.368 -5.589 1.00 0.00 O ATOM 0 H SER A 624 13.268 13.359 -5.885 1.00 0.00 H new ATOM 0 HA SER A 624 14.496 11.211 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 624 15.102 14.174 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 624 15.902 12.844 -8.649 1.00 0.00 H new ATOM 0 HG SER A 624 14.237 13.799 -9.958 1.00 0.00 H new TER 1830 SER A 624