USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 359 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 Single : B 712 CYS SG : rot 180:sc= 0 USER MOD Single : B 716 LYS NZ :NH3+ 160:sc= -0.0728 (180deg=-0.564) USER MOD Single : B 720 THR OG1 : rot 180:sc= 0 USER MOD Single : B 722 HIS : no HD1:sc= 0 X(o=0,f=-0.00012) USER MOD Single : B 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 744 ASN : amide:sc= -0.079 K(o=-0.079,f=-1.9!) USER MOD Single : B 747 TYR OH : rot 180:sc= 0 USER MOD Single : B 748 LYS NZ :NH3+ -167:sc=-0.00785 (180deg=-0.194) USER MOD Single : B 751 THR OG1 : rot 5:sc= 0.333 USER MOD Single : B 752 SER OG : rot 180:sc= 0 USER MOD Single : B 753 THR OG1 : rot 180:sc= 0 USER MOD Single : B 755 THR OG1 : rot 23:sc= -0.665 USER MOD Single : B 756 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 758 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N PRO B 710 -9.994 -6.823 21.948 1.00 0.00 N ATOM 13 CA PRO B 710 -8.666 -7.358 22.375 1.00 0.00 C ATOM 14 C PRO B 710 -7.835 -7.845 21.188 1.00 0.00 C ATOM 15 O PRO B 710 -8.376 -8.296 20.179 1.00 0.00 O ATOM 16 CB PRO B 710 -9.019 -8.518 23.329 1.00 0.00 C ATOM 17 CG PRO B 710 -10.443 -8.281 23.733 1.00 0.00 C ATOM 18 CD PRO B 710 -11.104 -7.568 22.557 1.00 0.00 C ATOM 0 HA PRO B 710 -8.051 -6.594 22.851 1.00 0.00 H new ATOM 0 HB2 PRO B 710 -8.906 -9.482 22.834 1.00 0.00 H new ATOM 0 HB3 PRO B 710 -8.360 -8.527 24.197 1.00 0.00 H new ATOM 0 HG2 PRO B 710 -10.948 -9.222 23.952 1.00 0.00 H new ATOM 0 HG3 PRO B 710 -10.496 -7.674 24.636 1.00 0.00 H new ATOM 0 HD2 PRO B 710 -11.547 -8.275 21.855 1.00 0.00 H new ATOM 0 HD3 PRO B 710 -11.902 -6.903 22.887 1.00 0.00 H new ATOM 26 N GLU B 711 -6.517 -7.744 21.320 1.00 0.00 N ATOM 27 CA GLU B 711 -5.621 -8.173 20.255 1.00 0.00 C ATOM 28 C GLU B 711 -5.970 -9.587 19.804 1.00 0.00 C ATOM 29 O GLU B 711 -5.672 -9.979 18.677 1.00 0.00 O ATOM 30 CB GLU B 711 -4.172 -8.136 20.750 1.00 0.00 C ATOM 31 CG GLU B 711 -3.759 -6.690 21.043 1.00 0.00 C ATOM 32 CD GLU B 711 -3.731 -5.881 19.750 1.00 0.00 C ATOM 33 OE1 GLU B 711 -3.625 -6.489 18.697 1.00 0.00 O ATOM 34 OE2 GLU B 711 -3.814 -4.667 19.831 1.00 0.00 O ATOM 0 H GLU B 711 -6.049 -7.372 22.147 1.00 0.00 H new ATOM 0 HA GLU B 711 -5.735 -7.495 19.409 1.00 0.00 H new ATOM 0 HB2 GLU B 711 -4.070 -8.742 21.650 1.00 0.00 H new ATOM 0 HB3 GLU B 711 -3.511 -8.567 19.999 1.00 0.00 H new ATOM 0 HG2 GLU B 711 -4.458 -6.240 21.748 1.00 0.00 H new ATOM 0 HG3 GLU B 711 -2.776 -6.673 21.514 1.00 0.00 H new ATOM 41 N CYS B 712 -6.603 -10.349 20.691 1.00 0.00 N ATOM 42 CA CYS B 712 -6.987 -11.715 20.364 1.00 0.00 C ATOM 43 C CYS B 712 -8.063 -11.729 19.281 1.00 0.00 C ATOM 44 O CYS B 712 -7.983 -12.491 18.315 1.00 0.00 O ATOM 45 CB CYS B 712 -7.512 -12.420 21.617 1.00 0.00 C ATOM 46 SG CYS B 712 -6.175 -12.577 22.825 1.00 0.00 S ATOM 0 H CYS B 712 -6.858 -10.047 21.631 1.00 0.00 H new ATOM 0 HA CYS B 712 -6.108 -12.240 19.990 1.00 0.00 H new ATOM 0 HB2 CYS B 712 -8.339 -11.855 22.046 1.00 0.00 H new ATOM 0 HB3 CYS B 712 -7.900 -13.405 21.358 1.00 0.00 H new ATOM 0 HG CYS B 712 -6.621 -13.174 23.891 1.00 0.00 H new ATOM 52 N LEU B 713 -9.072 -10.879 19.447 1.00 0.00 N ATOM 53 CA LEU B 713 -10.159 -10.803 18.479 1.00 0.00 C ATOM 54 C LEU B 713 -9.639 -10.337 17.123 1.00 0.00 C ATOM 55 O LEU B 713 -10.015 -10.875 16.082 1.00 0.00 O ATOM 56 CB LEU B 713 -11.233 -9.829 18.992 1.00 0.00 C ATOM 57 CG LEU B 713 -12.139 -10.535 20.018 1.00 0.00 C ATOM 58 CD1 LEU B 713 -13.017 -11.607 19.331 1.00 0.00 C ATOM 59 CD2 LEU B 713 -11.260 -11.184 21.096 1.00 0.00 C ATOM 0 H LEU B 713 -9.159 -10.239 20.236 1.00 0.00 H new ATOM 0 HA LEU B 713 -10.594 -11.795 18.357 1.00 0.00 H new ATOM 0 HB2 LEU B 713 -10.759 -8.961 19.450 1.00 0.00 H new ATOM 0 HB3 LEU B 713 -11.831 -9.463 18.158 1.00 0.00 H new ATOM 0 HG LEU B 713 -12.802 -9.800 20.474 1.00 0.00 H new ATOM 0 HD11 LEU B 713 -13.648 -12.092 20.076 1.00 0.00 H new ATOM 0 HD12 LEU B 713 -13.645 -11.134 18.576 1.00 0.00 H new ATOM 0 HD13 LEU B 713 -12.378 -12.352 18.857 1.00 0.00 H new ATOM 0 HD21 LEU B 713 -11.893 -11.687 21.827 1.00 0.00 H new ATOM 0 HD22 LEU B 713 -10.593 -11.911 20.633 1.00 0.00 H new ATOM 0 HD23 LEU B 713 -10.669 -10.416 21.595 1.00 0.00 H new ATOM 71 N ILE B 714 -8.768 -9.338 17.141 1.00 0.00 N ATOM 72 CA ILE B 714 -8.212 -8.810 15.905 1.00 0.00 C ATOM 73 C ILE B 714 -7.439 -9.900 15.173 1.00 0.00 C ATOM 74 O ILE B 714 -7.549 -10.042 13.955 1.00 0.00 O ATOM 75 CB ILE B 714 -7.285 -7.632 16.215 1.00 0.00 C ATOM 76 CG1 ILE B 714 -8.113 -6.460 16.755 1.00 0.00 C ATOM 77 CG2 ILE B 714 -6.561 -7.199 14.938 1.00 0.00 C ATOM 78 CD1 ILE B 714 -7.182 -5.373 17.301 1.00 0.00 C ATOM 0 H ILE B 714 -8.434 -8.881 17.990 1.00 0.00 H new ATOM 0 HA ILE B 714 -9.026 -8.466 15.268 1.00 0.00 H new ATOM 0 HB ILE B 714 -6.551 -7.935 16.962 1.00 0.00 H new ATOM 0 HG12 ILE B 714 -8.740 -6.050 15.963 1.00 0.00 H new ATOM 0 HG13 ILE B 714 -8.782 -6.808 17.542 1.00 0.00 H new ATOM 0 HG21 ILE B 714 -5.901 -6.360 15.160 1.00 0.00 H new ATOM 0 HG22 ILE B 714 -5.972 -8.032 14.553 1.00 0.00 H new ATOM 0 HG23 ILE B 714 -7.293 -6.896 14.189 1.00 0.00 H new ATOM 0 HD11 ILE B 714 -7.776 -4.543 17.683 1.00 0.00 H new ATOM 0 HD12 ILE B 714 -6.574 -5.785 18.107 1.00 0.00 H new ATOM 0 HD13 ILE B 714 -6.532 -5.016 16.502 1.00 0.00 H new ATOM 90 N TRP B 715 -6.659 -10.667 15.921 1.00 0.00 N ATOM 91 CA TRP B 715 -5.875 -11.742 15.330 1.00 0.00 C ATOM 92 C TRP B 715 -6.778 -12.693 14.552 1.00 0.00 C ATOM 93 O TRP B 715 -6.409 -13.174 13.482 1.00 0.00 O ATOM 94 CB TRP B 715 -5.135 -12.514 16.421 1.00 0.00 C ATOM 95 CG TRP B 715 -4.257 -13.548 15.793 1.00 0.00 C ATOM 96 CD1 TRP B 715 -4.500 -14.878 15.794 1.00 0.00 C ATOM 97 CD2 TRP B 715 -3.004 -13.360 15.073 1.00 0.00 C ATOM 98 NE1 TRP B 715 -3.474 -15.519 15.121 1.00 0.00 N ATOM 99 CE2 TRP B 715 -2.528 -14.626 14.658 1.00 0.00 C ATOM 100 CE3 TRP B 715 -2.242 -12.224 14.743 1.00 0.00 C ATOM 101 CZ2 TRP B 715 -1.338 -14.762 13.942 1.00 0.00 C ATOM 102 CZ3 TRP B 715 -1.043 -12.358 14.022 1.00 0.00 C ATOM 103 CH2 TRP B 715 -0.593 -13.624 13.623 1.00 0.00 C ATOM 0 H TRP B 715 -6.552 -10.567 16.930 1.00 0.00 H new ATOM 0 HA TRP B 715 -5.149 -11.303 14.645 1.00 0.00 H new ATOM 0 HB2 TRP B 715 -4.536 -11.830 17.023 1.00 0.00 H new ATOM 0 HB3 TRP B 715 -5.849 -12.988 17.094 1.00 0.00 H new ATOM 0 HD1 TRP B 715 -5.354 -15.361 16.246 1.00 0.00 H new ATOM 0 HE1 TRP B 715 -3.423 -16.528 14.984 1.00 0.00 H new ATOM 0 HE3 TRP B 715 -2.580 -11.244 15.045 1.00 0.00 H new ATOM 0 HZ2 TRP B 715 -0.995 -15.740 13.637 1.00 0.00 H new ATOM 0 HZ3 TRP B 715 -0.465 -11.480 13.774 1.00 0.00 H new ATOM 0 HH2 TRP B 715 0.329 -13.720 13.069 1.00 0.00 H new ATOM 114 N LYS B 716 -7.960 -12.963 15.098 1.00 0.00 N ATOM 115 CA LYS B 716 -8.904 -13.864 14.443 1.00 0.00 C ATOM 116 C LYS B 716 -9.265 -13.349 13.054 1.00 0.00 C ATOM 117 O LYS B 716 -9.330 -14.117 12.094 1.00 0.00 O ATOM 118 CB LYS B 716 -10.174 -13.991 15.287 1.00 0.00 C ATOM 119 CG LYS B 716 -11.108 -15.027 14.659 1.00 0.00 C ATOM 120 CD LYS B 716 -12.335 -15.216 15.553 1.00 0.00 C ATOM 121 CE LYS B 716 -13.270 -16.250 14.923 1.00 0.00 C ATOM 122 NZ LYS B 716 -12.572 -17.563 14.836 1.00 0.00 N ATOM 0 H LYS B 716 -8.285 -12.575 15.984 1.00 0.00 H new ATOM 0 HA LYS B 716 -8.433 -14.842 14.343 1.00 0.00 H new ATOM 0 HB2 LYS B 716 -9.918 -14.287 16.304 1.00 0.00 H new ATOM 0 HB3 LYS B 716 -10.677 -13.026 15.353 1.00 0.00 H new ATOM 0 HG2 LYS B 716 -11.415 -14.700 13.666 1.00 0.00 H new ATOM 0 HG3 LYS B 716 -10.586 -15.976 14.535 1.00 0.00 H new ATOM 0 HD2 LYS B 716 -12.028 -15.545 16.546 1.00 0.00 H new ATOM 0 HD3 LYS B 716 -12.856 -14.267 15.679 1.00 0.00 H new ATOM 0 HE2 LYS B 716 -14.177 -16.347 15.520 1.00 0.00 H new ATOM 0 HE3 LYS B 716 -13.576 -15.922 13.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 716 -13.274 -18.324 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 716 -11.939 -17.566 14.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 716 -12.014 -17.718 15.700 1.00 0.00 H new ATOM 136 N LEU B 717 -9.492 -12.044 12.948 1.00 0.00 N ATOM 137 CA LEU B 717 -9.835 -11.448 11.658 1.00 0.00 C ATOM 138 C LEU B 717 -8.703 -11.657 10.662 1.00 0.00 C ATOM 139 O LEU B 717 -8.941 -11.929 9.484 1.00 0.00 O ATOM 140 CB LEU B 717 -10.116 -9.945 11.832 1.00 0.00 C ATOM 141 CG LEU B 717 -11.585 -9.721 12.234 1.00 0.00 C ATOM 142 CD1 LEU B 717 -12.528 -10.038 11.049 1.00 0.00 C ATOM 143 CD2 LEU B 717 -11.931 -10.618 13.432 1.00 0.00 C ATOM 0 H LEU B 717 -9.446 -11.386 13.726 1.00 0.00 H new ATOM 0 HA LEU B 717 -10.732 -11.934 11.274 1.00 0.00 H new ATOM 0 HB2 LEU B 717 -9.456 -9.530 12.594 1.00 0.00 H new ATOM 0 HB3 LEU B 717 -9.901 -9.418 10.903 1.00 0.00 H new ATOM 0 HG LEU B 717 -11.719 -8.675 12.511 1.00 0.00 H new ATOM 0 HD11 LEU B 717 -13.562 -9.874 11.353 1.00 0.00 H new ATOM 0 HD12 LEU B 717 -12.289 -9.386 10.209 1.00 0.00 H new ATOM 0 HD13 LEU B 717 -12.399 -11.078 10.749 1.00 0.00 H new ATOM 0 HD21 LEU B 717 -12.971 -10.459 13.717 1.00 0.00 H new ATOM 0 HD22 LEU B 717 -11.785 -11.663 13.158 1.00 0.00 H new ATOM 0 HD23 LEU B 717 -11.283 -10.369 14.272 1.00 0.00 H new ATOM 155 N LEU B 718 -7.475 -11.534 11.134 1.00 0.00 N ATOM 156 CA LEU B 718 -6.328 -11.720 10.264 1.00 0.00 C ATOM 157 C LEU B 718 -6.324 -13.134 9.697 1.00 0.00 C ATOM 158 O LEU B 718 -5.993 -13.340 8.529 1.00 0.00 O ATOM 159 CB LEU B 718 -5.034 -11.466 11.043 1.00 0.00 C ATOM 160 CG LEU B 718 -3.814 -11.732 10.147 1.00 0.00 C ATOM 161 CD1 LEU B 718 -3.885 -10.867 8.878 1.00 0.00 C ATOM 162 CD2 LEU B 718 -2.539 -11.404 10.931 1.00 0.00 C ATOM 0 H LEU B 718 -7.248 -11.309 12.103 1.00 0.00 H new ATOM 0 HA LEU B 718 -6.392 -11.010 9.440 1.00 0.00 H new ATOM 0 HB2 LEU B 718 -5.013 -10.437 11.402 1.00 0.00 H new ATOM 0 HB3 LEU B 718 -4.997 -12.111 11.921 1.00 0.00 H new ATOM 0 HG LEU B 718 -3.805 -12.781 9.850 1.00 0.00 H new ATOM 0 HD11 LEU B 718 -3.014 -11.066 8.253 1.00 0.00 H new ATOM 0 HD12 LEU B 718 -4.792 -11.108 8.324 1.00 0.00 H new ATOM 0 HD13 LEU B 718 -3.899 -9.813 9.156 1.00 0.00 H new ATOM 0 HD21 LEU B 718 -1.668 -11.590 10.303 1.00 0.00 H new ATOM 0 HD22 LEU B 718 -2.555 -10.356 11.229 1.00 0.00 H new ATOM 0 HD23 LEU B 718 -2.486 -12.033 11.820 1.00 0.00 H new ATOM 174 N ILE B 719 -6.672 -14.108 10.532 1.00 0.00 N ATOM 175 CA ILE B 719 -6.680 -15.497 10.097 1.00 0.00 C ATOM 176 C ILE B 719 -7.676 -15.689 8.957 1.00 0.00 C ATOM 177 O ILE B 719 -7.378 -16.360 7.970 1.00 0.00 O ATOM 178 CB ILE B 719 -7.073 -16.401 11.270 1.00 0.00 C ATOM 179 CG1 ILE B 719 -5.991 -16.311 12.353 1.00 0.00 C ATOM 180 CG2 ILE B 719 -7.191 -17.849 10.776 1.00 0.00 C ATOM 181 CD1 ILE B 719 -6.418 -17.106 13.589 1.00 0.00 C ATOM 0 H ILE B 719 -6.949 -13.962 11.503 1.00 0.00 H new ATOM 0 HA ILE B 719 -5.682 -15.760 9.747 1.00 0.00 H new ATOM 0 HB ILE B 719 -8.030 -16.082 11.682 1.00 0.00 H new ATOM 0 HG12 ILE B 719 -5.048 -16.699 11.969 1.00 0.00 H new ATOM 0 HG13 ILE B 719 -5.821 -15.269 12.622 1.00 0.00 H new ATOM 0 HG21 ILE B 719 -7.471 -18.496 11.608 1.00 0.00 H new ATOM 0 HG22 ILE B 719 -7.953 -17.907 9.999 1.00 0.00 H new ATOM 0 HG23 ILE B 719 -6.233 -18.174 10.370 1.00 0.00 H new ATOM 0 HD11 ILE B 719 -5.643 -17.036 14.352 1.00 0.00 H new ATOM 0 HD12 ILE B 719 -7.350 -16.698 13.980 1.00 0.00 H new ATOM 0 HD13 ILE B 719 -6.565 -18.151 13.316 1.00 0.00 H new ATOM 193 N THR B 720 -8.858 -15.100 9.102 1.00 0.00 N ATOM 194 CA THR B 720 -9.890 -15.220 8.079 1.00 0.00 C ATOM 195 C THR B 720 -9.424 -14.594 6.769 1.00 0.00 C ATOM 196 O THR B 720 -9.583 -15.181 5.700 1.00 0.00 O ATOM 197 CB THR B 720 -11.173 -14.529 8.546 1.00 0.00 C ATOM 198 OG1 THR B 720 -11.481 -14.948 9.867 1.00 0.00 O ATOM 199 CG2 THR B 720 -12.324 -14.901 7.612 1.00 0.00 C ATOM 0 H THR B 720 -9.124 -14.539 9.911 1.00 0.00 H new ATOM 0 HA THR B 720 -10.086 -16.279 7.913 1.00 0.00 H new ATOM 0 HB THR B 720 -11.029 -13.449 8.531 1.00 0.00 H new ATOM 0 HG1 THR B 720 -12.302 -14.505 10.168 1.00 0.00 H new ATOM 0 HG21 THR B 720 -13.237 -14.408 7.946 1.00 0.00 H new ATOM 0 HG22 THR B 720 -12.088 -14.579 6.598 1.00 0.00 H new ATOM 0 HG23 THR B 720 -12.469 -15.981 7.626 1.00 0.00 H new ATOM 207 N ILE B 721 -8.850 -13.397 6.862 1.00 0.00 N ATOM 208 CA ILE B 721 -8.370 -12.696 5.676 1.00 0.00 C ATOM 209 C ILE B 721 -7.247 -13.486 5.010 1.00 0.00 C ATOM 210 O ILE B 721 -7.213 -13.628 3.787 1.00 0.00 O ATOM 211 CB ILE B 721 -7.859 -11.305 6.067 1.00 0.00 C ATOM 212 CG1 ILE B 721 -9.034 -10.448 6.544 1.00 0.00 C ATOM 213 CG2 ILE B 721 -7.207 -10.636 4.851 1.00 0.00 C ATOM 214 CD1 ILE B 721 -8.501 -9.172 7.200 1.00 0.00 C ATOM 0 H ILE B 721 -8.707 -12.896 7.739 1.00 0.00 H new ATOM 0 HA ILE B 721 -9.196 -12.595 4.972 1.00 0.00 H new ATOM 0 HB ILE B 721 -7.125 -11.401 6.867 1.00 0.00 H new ATOM 0 HG12 ILE B 721 -9.679 -10.195 5.702 1.00 0.00 H new ATOM 0 HG13 ILE B 721 -9.642 -11.008 7.254 1.00 0.00 H new ATOM 0 HG21 ILE B 721 -6.844 -9.647 5.131 1.00 0.00 H new ATOM 0 HG22 ILE B 721 -6.371 -11.245 4.505 1.00 0.00 H new ATOM 0 HG23 ILE B 721 -7.941 -10.540 4.051 1.00 0.00 H new ATOM 0 HD11 ILE B 721 -9.337 -8.561 7.540 1.00 0.00 H new ATOM 0 HD12 ILE B 721 -7.874 -9.435 8.052 1.00 0.00 H new ATOM 0 HD13 ILE B 721 -7.912 -8.610 6.476 1.00 0.00 H new ATOM 226 N HIS B 722 -6.331 -13.998 5.824 1.00 0.00 N ATOM 227 CA HIS B 722 -5.209 -14.774 5.309 1.00 0.00 C ATOM 228 C HIS B 722 -5.705 -16.026 4.596 1.00 0.00 C ATOM 229 O HIS B 722 -5.107 -16.474 3.617 1.00 0.00 O ATOM 230 CB HIS B 722 -4.271 -15.166 6.451 1.00 0.00 C ATOM 231 CG HIS B 722 -3.106 -15.940 5.898 1.00 0.00 C ATOM 232 ND1 HIS B 722 -2.112 -15.340 5.140 1.00 0.00 N ATOM 233 CD2 HIS B 722 -2.762 -17.267 5.985 1.00 0.00 C ATOM 234 CE1 HIS B 722 -1.227 -16.296 4.803 1.00 0.00 C ATOM 235 NE2 HIS B 722 -1.575 -17.489 5.292 1.00 0.00 N ATOM 0 H HIS B 722 -6.343 -13.891 6.838 1.00 0.00 H new ATOM 0 HA HIS B 722 -4.665 -14.157 4.594 1.00 0.00 H new ATOM 0 HB2 HIS B 722 -3.917 -14.274 6.968 1.00 0.00 H new ATOM 0 HB3 HIS B 722 -4.806 -15.768 7.185 1.00 0.00 H new ATOM 0 HD2 HIS B 722 -3.326 -18.023 6.511 1.00 0.00 H new ATOM 0 HE1 HIS B 722 -0.342 -16.120 4.209 1.00 0.00 H new ATOM 0 HE2 HIS B 722 -1.078 -18.373 5.182 1.00 0.00 H new ATOM 244 N ASP B 723 -6.798 -16.591 5.097 1.00 0.00 N ATOM 245 CA ASP B 723 -7.364 -17.798 4.503 1.00 0.00 C ATOM 246 C ASP B 723 -7.948 -17.494 3.127 1.00 0.00 C ATOM 247 O ASP B 723 -7.889 -18.327 2.222 1.00 0.00 O ATOM 248 CB ASP B 723 -8.460 -18.360 5.411 1.00 0.00 C ATOM 249 CG ASP B 723 -7.837 -18.991 6.651 1.00 0.00 C ATOM 250 OD1 ASP B 723 -6.624 -19.110 6.687 1.00 0.00 O ATOM 251 OD2 ASP B 723 -8.585 -19.347 7.548 1.00 0.00 O ATOM 0 H ASP B 723 -7.307 -16.237 5.907 1.00 0.00 H new ATOM 0 HA ASP B 723 -6.569 -18.535 4.393 1.00 0.00 H new ATOM 0 HB2 ASP B 723 -9.145 -17.564 5.703 1.00 0.00 H new ATOM 0 HB3 ASP B 723 -9.046 -19.103 4.870 1.00 0.00 H new ATOM 256 N ARG B 724 -8.509 -16.299 2.972 1.00 0.00 N ATOM 257 CA ARG B 724 -9.096 -15.905 1.696 1.00 0.00 C ATOM 258 C ARG B 724 -8.033 -15.877 0.604 1.00 0.00 C ATOM 259 O ARG B 724 -7.070 -15.116 0.679 1.00 0.00 O ATOM 260 CB ARG B 724 -9.731 -14.520 1.822 1.00 0.00 C ATOM 261 CG ARG B 724 -10.985 -14.608 2.694 1.00 0.00 C ATOM 262 CD ARG B 724 -11.587 -13.213 2.864 1.00 0.00 C ATOM 263 NE ARG B 724 -12.762 -13.275 3.726 1.00 0.00 N ATOM 264 CZ ARG B 724 -13.961 -13.588 3.241 1.00 0.00 C ATOM 265 NH1 ARG B 724 -14.101 -13.849 1.970 1.00 0.00 N ATOM 266 NH2 ARG B 724 -14.994 -13.634 4.035 1.00 0.00 N ATOM 0 H ARG B 724 -8.570 -15.593 3.706 1.00 0.00 H new ATOM 0 HA ARG B 724 -9.860 -16.635 1.427 1.00 0.00 H new ATOM 0 HB2 ARG B 724 -9.019 -13.821 2.261 1.00 0.00 H new ATOM 0 HB3 ARG B 724 -9.988 -14.136 0.835 1.00 0.00 H new ATOM 0 HG2 ARG B 724 -11.714 -15.277 2.235 1.00 0.00 H new ATOM 0 HG3 ARG B 724 -10.735 -15.029 3.668 1.00 0.00 H new ATOM 0 HD2 ARG B 724 -10.846 -12.539 3.294 1.00 0.00 H new ATOM 0 HD3 ARG B 724 -11.862 -12.806 1.891 1.00 0.00 H new ATOM 0 HE ARG B 724 -12.663 -13.074 4.721 1.00 0.00 H new ATOM 0 HH11 ARG B 724 -13.292 -13.813 1.350 1.00 0.00 H new ATOM 0 HH12 ARG B 724 -15.019 -14.089 1.597 1.00 0.00 H new ATOM 0 HH21 ARG B 724 -14.883 -13.430 5.028 1.00 0.00 H new ATOM 0 HH22 ARG B 724 -15.913 -13.874 3.663 1.00 0.00 H new ATOM 280 N LYS B 725 -8.214 -16.715 -0.409 1.00 0.00 N ATOM 281 CA LYS B 725 -7.268 -16.783 -1.515 1.00 0.00 C ATOM 282 C LYS B 725 -7.262 -15.476 -2.297 1.00 0.00 C ATOM 283 O LYS B 725 -6.210 -14.998 -2.718 1.00 0.00 O ATOM 284 CB LYS B 725 -7.644 -17.939 -2.445 1.00 0.00 C ATOM 285 CG LYS B 725 -7.606 -19.272 -1.683 1.00 0.00 C ATOM 286 CD LYS B 725 -6.166 -19.626 -1.289 1.00 0.00 C ATOM 287 CE LYS B 725 -6.081 -21.112 -0.934 1.00 0.00 C ATOM 288 NZ LYS B 725 -4.679 -21.443 -0.553 1.00 0.00 N ATOM 0 H LYS B 725 -9.004 -17.355 -0.488 1.00 0.00 H new ATOM 0 HA LYS B 725 -6.270 -16.950 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS B 725 -8.641 -17.775 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS B 725 -6.954 -17.975 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS B 725 -8.227 -19.205 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS B 725 -8.025 -20.064 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS B 725 -5.487 -19.399 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS B 725 -5.851 -19.020 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS B 725 -6.758 -21.341 -0.111 1.00 0.00 H new ATOM 0 HE3 LYS B 725 -6.393 -21.720 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 725 -4.614 -22.452 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 725 -4.045 -21.237 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 725 -4.398 -20.871 0.269 1.00 0.00 H new ATOM 302 N GLU B 726 -8.442 -14.904 -2.490 1.00 0.00 N ATOM 303 CA GLU B 726 -8.555 -13.655 -3.229 1.00 0.00 C ATOM 304 C GLU B 726 -7.715 -12.571 -2.564 1.00 0.00 C ATOM 305 O GLU B 726 -7.164 -11.701 -3.238 1.00 0.00 O ATOM 306 CB GLU B 726 -10.019 -13.216 -3.282 1.00 0.00 C ATOM 307 CG GLU B 726 -10.611 -13.245 -1.871 1.00 0.00 C ATOM 308 CD GLU B 726 -12.065 -12.784 -1.907 1.00 0.00 C ATOM 309 OE1 GLU B 726 -12.371 -11.916 -2.707 1.00 0.00 O ATOM 310 OE2 GLU B 726 -12.850 -13.309 -1.135 1.00 0.00 O ATOM 0 H GLU B 726 -9.327 -15.280 -2.149 1.00 0.00 H new ATOM 0 HA GLU B 726 -8.188 -13.811 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU B 726 -10.094 -12.212 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU B 726 -10.585 -13.877 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU B 726 -10.551 -14.254 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU B 726 -10.032 -12.599 -1.211 1.00 0.00 H new ATOM 317 N PHE B 727 -7.616 -12.633 -1.241 1.00 0.00 N ATOM 318 CA PHE B 727 -6.832 -11.653 -0.501 1.00 0.00 C ATOM 319 C PHE B 727 -5.368 -11.698 -0.934 1.00 0.00 C ATOM 320 O PHE B 727 -4.749 -10.661 -1.166 1.00 0.00 O ATOM 321 CB PHE B 727 -6.934 -11.927 1.000 1.00 0.00 C ATOM 322 CG PHE B 727 -6.160 -10.877 1.761 1.00 0.00 C ATOM 323 CD1 PHE B 727 -6.646 -9.566 1.829 1.00 0.00 C ATOM 324 CD2 PHE B 727 -4.959 -11.212 2.399 1.00 0.00 C ATOM 325 CE1 PHE B 727 -5.931 -8.590 2.533 1.00 0.00 C ATOM 326 CE2 PHE B 727 -4.245 -10.236 3.103 1.00 0.00 C ATOM 327 CZ PHE B 727 -4.731 -8.926 3.171 1.00 0.00 C ATOM 0 H PHE B 727 -8.064 -13.345 -0.664 1.00 0.00 H new ATOM 0 HA PHE B 727 -7.230 -10.661 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE B 727 -7.979 -11.920 1.311 1.00 0.00 H new ATOM 0 HB3 PHE B 727 -6.541 -12.918 1.226 1.00 0.00 H new ATOM 0 HD1 PHE B 727 -7.573 -9.308 1.338 1.00 0.00 H new ATOM 0 HD2 PHE B 727 -4.584 -12.224 2.348 1.00 0.00 H new ATOM 0 HE1 PHE B 727 -6.305 -7.578 2.584 1.00 0.00 H new ATOM 0 HE2 PHE B 727 -3.318 -10.494 3.594 1.00 0.00 H new ATOM 0 HZ PHE B 727 -4.180 -8.174 3.716 1.00 0.00 H new ATOM 337 N ALA B 728 -4.821 -12.907 -1.037 1.00 0.00 N ATOM 338 CA ALA B 728 -3.431 -13.073 -1.443 1.00 0.00 C ATOM 339 C ALA B 728 -3.223 -12.581 -2.870 1.00 0.00 C ATOM 340 O ALA B 728 -2.210 -11.957 -3.179 1.00 0.00 O ATOM 341 CB ALA B 728 -3.037 -14.549 -1.350 1.00 0.00 C ATOM 0 H ALA B 728 -5.316 -13.778 -0.846 1.00 0.00 H new ATOM 0 HA ALA B 728 -2.805 -12.482 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA B 728 -1.997 -14.668 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA B 728 -3.156 -14.893 -0.323 1.00 0.00 H new ATOM 0 HB3 ALA B 728 -3.677 -15.138 -2.007 1.00 0.00 H new ATOM 347 N LYS B 729 -4.190 -12.863 -3.739 1.00 0.00 N ATOM 348 CA LYS B 729 -4.095 -12.443 -5.133 1.00 0.00 C ATOM 349 C LYS B 729 -4.029 -10.917 -5.219 1.00 0.00 C ATOM 350 O LYS B 729 -3.249 -10.365 -5.993 1.00 0.00 O ATOM 351 CB LYS B 729 -5.317 -12.972 -5.920 1.00 0.00 C ATOM 352 CG LYS B 729 -4.982 -14.309 -6.597 1.00 0.00 C ATOM 353 CD LYS B 729 -4.721 -15.367 -5.528 1.00 0.00 C ATOM 354 CE LYS B 729 -4.375 -16.695 -6.198 1.00 0.00 C ATOM 355 NZ LYS B 729 -4.132 -17.729 -5.155 1.00 0.00 N ATOM 0 H LYS B 729 -5.040 -13.376 -3.505 1.00 0.00 H new ATOM 0 HA LYS B 729 -3.185 -12.855 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS B 729 -6.163 -13.101 -5.245 1.00 0.00 H new ATOM 0 HB3 LYS B 729 -5.617 -12.242 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS B 729 -5.806 -14.621 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS B 729 -4.105 -14.197 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS B 729 -3.903 -15.051 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS B 729 -5.601 -15.485 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS B 729 -5.189 -17.007 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS B 729 -3.490 -16.579 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS B 729 -3.896 -18.633 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 729 -3.342 -17.431 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 729 -4.988 -17.846 -4.576 1.00 0.00 H new ATOM 369 N PHE B 730 -4.849 -10.245 -4.422 1.00 0.00 N ATOM 370 CA PHE B 730 -4.864 -8.794 -4.423 1.00 0.00 C ATOM 371 C PHE B 730 -3.491 -8.251 -4.045 1.00 0.00 C ATOM 372 O PHE B 730 -2.973 -7.339 -4.691 1.00 0.00 O ATOM 373 CB PHE B 730 -5.912 -8.291 -3.433 1.00 0.00 C ATOM 374 CG PHE B 730 -5.964 -6.787 -3.485 1.00 0.00 C ATOM 375 CD1 PHE B 730 -6.641 -6.151 -4.532 1.00 0.00 C ATOM 376 CD2 PHE B 730 -5.338 -6.029 -2.492 1.00 0.00 C ATOM 377 CE1 PHE B 730 -6.691 -4.755 -4.585 1.00 0.00 C ATOM 378 CE2 PHE B 730 -5.388 -4.633 -2.544 1.00 0.00 C ATOM 379 CZ PHE B 730 -6.064 -3.994 -3.591 1.00 0.00 C ATOM 0 H PHE B 730 -5.506 -10.679 -3.773 1.00 0.00 H new ATOM 0 HA PHE B 730 -5.115 -8.443 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE B 730 -6.889 -8.709 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE B 730 -5.665 -8.623 -2.425 1.00 0.00 H new ATOM 0 HD1 PHE B 730 -7.124 -6.738 -5.299 1.00 0.00 H new ATOM 0 HD2 PHE B 730 -4.816 -6.521 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE B 730 -7.213 -4.264 -5.393 1.00 0.00 H new ATOM 0 HE2 PHE B 730 -4.905 -4.047 -1.776 1.00 0.00 H new ATOM 0 HZ PHE B 730 -6.102 -2.915 -3.632 1.00 0.00 H new ATOM 389 N GLU B 731 -2.904 -8.821 -2.998 1.00 0.00 N ATOM 390 CA GLU B 731 -1.586 -8.390 -2.548 1.00 0.00 C ATOM 391 C GLU B 731 -0.533 -8.656 -3.620 1.00 0.00 C ATOM 392 O GLU B 731 0.270 -7.780 -3.943 1.00 0.00 O ATOM 393 CB GLU B 731 -1.210 -9.128 -1.260 1.00 0.00 C ATOM 394 CG GLU B 731 -2.035 -8.581 -0.095 1.00 0.00 C ATOM 395 CD GLU B 731 -1.660 -9.309 1.191 1.00 0.00 C ATOM 396 OE1 GLU B 731 -0.863 -10.229 1.117 1.00 0.00 O ATOM 397 OE2 GLU B 731 -2.166 -8.927 2.233 1.00 0.00 O ATOM 0 H GLU B 731 -3.316 -9.576 -2.449 1.00 0.00 H new ATOM 0 HA GLU B 731 -1.621 -7.318 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU B 731 -1.390 -10.197 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU B 731 -0.147 -9.004 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU B 731 -1.858 -7.511 0.017 1.00 0.00 H new ATOM 0 HG3 GLU B 731 -3.098 -8.708 -0.299 1.00 0.00 H new ATOM 404 N GLU B 732 -0.542 -9.866 -4.173 1.00 0.00 N ATOM 405 CA GLU B 732 0.415 -10.227 -5.206 1.00 0.00 C ATOM 406 C GLU B 732 0.190 -9.384 -6.457 1.00 0.00 C ATOM 407 O GLU B 732 1.139 -9.024 -7.153 1.00 0.00 O ATOM 408 CB GLU B 732 0.268 -11.707 -5.553 1.00 0.00 C ATOM 409 CG GLU B 732 0.689 -12.551 -4.350 1.00 0.00 C ATOM 410 CD GLU B 732 0.535 -14.034 -4.674 1.00 0.00 C ATOM 411 OE1 GLU B 732 0.115 -14.338 -5.779 1.00 0.00 O ATOM 412 OE2 GLU B 732 0.843 -14.843 -3.815 1.00 0.00 O ATOM 0 H GLU B 732 -1.198 -10.606 -3.923 1.00 0.00 H new ATOM 0 HA GLU B 732 1.421 -10.040 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU B 732 -0.764 -11.928 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU B 732 0.884 -11.953 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU B 732 1.724 -12.333 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU B 732 0.079 -12.294 -3.484 1.00 0.00 H new ATOM 419 N GLU B 733 -1.072 -9.077 -6.739 1.00 0.00 N ATOM 420 CA GLU B 733 -1.408 -8.278 -7.911 1.00 0.00 C ATOM 421 C GLU B 733 -0.836 -6.870 -7.779 1.00 0.00 C ATOM 422 O GLU B 733 -0.375 -6.284 -8.758 1.00 0.00 O ATOM 423 CB GLU B 733 -2.930 -8.202 -8.073 1.00 0.00 C ATOM 424 CG GLU B 733 -3.275 -7.433 -9.352 1.00 0.00 C ATOM 425 CD GLU B 733 -4.786 -7.409 -9.556 1.00 0.00 C ATOM 426 OE1 GLU B 733 -5.494 -7.785 -8.636 1.00 0.00 O ATOM 427 OE2 GLU B 733 -5.214 -7.015 -10.628 1.00 0.00 O ATOM 0 H GLU B 733 -1.873 -9.367 -6.177 1.00 0.00 H new ATOM 0 HA GLU B 733 -0.974 -8.754 -8.790 1.00 0.00 H new ATOM 0 HB2 GLU B 733 -3.351 -9.206 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU B 733 -3.373 -7.707 -7.209 1.00 0.00 H new ATOM 0 HG2 GLU B 733 -2.892 -6.414 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU B 733 -2.792 -7.902 -10.209 1.00 0.00 H new ATOM 434 N ARG B 734 -0.873 -6.332 -6.565 1.00 0.00 N ATOM 435 CA ARG B 734 -0.358 -4.989 -6.323 1.00 0.00 C ATOM 436 C ARG B 734 1.126 -4.918 -6.662 1.00 0.00 C ATOM 437 O ARG B 734 1.584 -3.969 -7.297 1.00 0.00 O ATOM 438 CB ARG B 734 -0.563 -4.611 -4.855 1.00 0.00 C ATOM 439 CG ARG B 734 -0.109 -3.167 -4.626 1.00 0.00 C ATOM 440 CD ARG B 734 -0.373 -2.771 -3.173 1.00 0.00 C ATOM 441 NE ARG B 734 -0.068 -1.357 -2.978 1.00 0.00 N ATOM 442 CZ ARG B 734 -0.959 -0.416 -3.271 1.00 0.00 C ATOM 443 NH1 ARG B 734 -2.126 -0.750 -3.749 1.00 0.00 N ATOM 444 NH2 ARG B 734 -0.666 0.842 -3.085 1.00 0.00 N ATOM 0 H ARG B 734 -1.250 -6.799 -5.741 1.00 0.00 H new ATOM 0 HA ARG B 734 -0.900 -4.290 -6.960 1.00 0.00 H new ATOM 0 HB2 ARG B 734 -1.613 -4.719 -4.585 1.00 0.00 H new ATOM 0 HB3 ARG B 734 0.003 -5.286 -4.213 1.00 0.00 H new ATOM 0 HG2 ARG B 734 0.952 -3.068 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG B 734 -0.643 -2.496 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG B 734 -1.415 -2.965 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG B 734 0.237 -3.379 -2.505 1.00 0.00 H new ATOM 0 HE ARG B 734 0.844 -1.087 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG B 734 -2.354 -1.733 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG B 734 -2.811 -0.028 -3.974 1.00 0.00 H new ATOM 0 HH21 ARG B 734 0.248 1.103 -2.714 1.00 0.00 H new ATOM 0 HH22 ARG B 734 -1.351 1.564 -3.310 1.00 0.00 H new ATOM 458 N ALA B 735 1.870 -5.929 -6.232 1.00 0.00 N ATOM 459 CA ALA B 735 3.304 -5.969 -6.495 1.00 0.00 C ATOM 460 C ALA B 735 3.575 -6.021 -7.994 1.00 0.00 C ATOM 461 O ALA B 735 4.495 -5.370 -8.488 1.00 0.00 O ATOM 462 CB ALA B 735 3.926 -7.193 -5.821 1.00 0.00 C ATOM 0 H ALA B 735 1.510 -6.725 -5.705 1.00 0.00 H new ATOM 0 HA ALA B 735 3.752 -5.063 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA B 735 4.997 -7.215 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA B 735 3.761 -7.139 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA B 735 3.464 -8.099 -6.214 1.00 0.00 H new ATOM 468 N ARG B 736 2.771 -6.796 -8.714 1.00 0.00 N ATOM 469 CA ARG B 736 2.936 -6.922 -10.151 1.00 0.00 C ATOM 470 C ARG B 736 2.668 -5.590 -10.842 1.00 0.00 C ATOM 471 O ARG B 736 3.366 -5.216 -11.784 1.00 0.00 O ATOM 472 CB ARG B 736 1.967 -7.977 -10.680 1.00 0.00 C ATOM 473 CG ARG B 736 2.426 -9.366 -10.232 1.00 0.00 C ATOM 474 CD ARG B 736 1.444 -10.420 -10.749 1.00 0.00 C ATOM 475 NE ARG B 736 1.871 -11.752 -10.335 1.00 0.00 N ATOM 476 CZ ARG B 736 1.374 -12.843 -10.908 1.00 0.00 C ATOM 477 NH1 ARG B 736 0.488 -12.734 -11.861 1.00 0.00 N ATOM 478 NH2 ARG B 736 1.771 -14.024 -10.520 1.00 0.00 N ATOM 0 H ARG B 736 2.003 -7.343 -8.325 1.00 0.00 H new ATOM 0 HA ARG B 736 3.963 -7.222 -10.362 1.00 0.00 H new ATOM 0 HB2 ARG B 736 0.961 -7.779 -10.311 1.00 0.00 H new ATOM 0 HB3 ARG B 736 1.922 -7.931 -11.768 1.00 0.00 H new ATOM 0 HG2 ARG B 736 3.427 -9.570 -10.611 1.00 0.00 H new ATOM 0 HG3 ARG B 736 2.482 -9.409 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG B 736 0.444 -10.215 -10.366 1.00 0.00 H new ATOM 0 HD3 ARG B 736 1.385 -10.371 -11.836 1.00 0.00 H new ATOM 0 HE ARG B 736 2.564 -11.848 -9.592 1.00 0.00 H new ATOM 0 HH11 ARG B 736 0.177 -11.811 -12.166 1.00 0.00 H new ATOM 0 HH12 ARG B 736 0.106 -13.571 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG B 736 2.464 -14.110 -9.776 1.00 0.00 H new ATOM 0 HH22 ARG B 736 1.389 -14.861 -10.961 1.00 0.00 H new ATOM 598 N ASN B 744 7.316 4.300 -8.037 1.00 0.00 N ATOM 599 CA ASN B 744 8.761 4.457 -8.112 1.00 0.00 C ATOM 600 C ASN B 744 9.230 5.567 -7.172 1.00 0.00 C ATOM 601 O ASN B 744 8.520 6.551 -6.962 1.00 0.00 O ATOM 602 CB ASN B 744 9.193 4.784 -9.541 1.00 0.00 C ATOM 603 CG ASN B 744 9.058 3.548 -10.421 1.00 0.00 C ATOM 604 OD1 ASN B 744 9.078 2.423 -9.921 1.00 0.00 O ATOM 605 ND2 ASN B 744 8.926 3.691 -11.709 1.00 0.00 N ATOM 0 HA ASN B 744 9.217 3.515 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN B 744 8.580 5.593 -9.939 1.00 0.00 H new ATOM 0 HB3 ASN B 744 10.225 5.134 -9.547 1.00 0.00 H new ATOM 0 HD21 ASN B 744 8.839 2.869 -12.307 1.00 0.00 H new ATOM 0 HD22 ASN B 744 8.910 4.625 -12.119 1.00 0.00 H new ATOM 612 N PRO B 745 10.397 5.425 -6.595 1.00 0.00 N ATOM 613 CA PRO B 745 10.954 6.438 -5.649 1.00 0.00 C ATOM 614 C PRO B 745 11.261 7.766 -6.327 1.00 0.00 C ATOM 615 O PRO B 745 11.324 8.810 -5.681 1.00 0.00 O ATOM 616 CB PRO B 745 12.231 5.770 -5.115 1.00 0.00 C ATOM 617 CG PRO B 745 12.620 4.767 -6.153 1.00 0.00 C ATOM 618 CD PRO B 745 11.317 4.291 -6.785 1.00 0.00 C ATOM 0 HA PRO B 745 10.245 6.697 -4.863 1.00 0.00 H new ATOM 0 HB2 PRO B 745 13.023 6.503 -4.961 1.00 0.00 H new ATOM 0 HB3 PRO B 745 12.050 5.290 -4.153 1.00 0.00 H new ATOM 0 HG2 PRO B 745 13.276 5.213 -6.900 1.00 0.00 H new ATOM 0 HG3 PRO B 745 13.164 3.935 -5.707 1.00 0.00 H new ATOM 0 HD2 PRO B 745 11.448 4.055 -7.841 1.00 0.00 H new ATOM 0 HD3 PRO B 745 10.944 3.388 -6.301 1.00 0.00 H new ATOM 626 N LEU B 746 11.449 7.710 -7.625 1.00 0.00 N ATOM 627 CA LEU B 746 11.749 8.906 -8.392 1.00 0.00 C ATOM 628 C LEU B 746 10.582 9.886 -8.318 1.00 0.00 C ATOM 629 O LEU B 746 10.780 11.098 -8.255 1.00 0.00 O ATOM 630 CB LEU B 746 12.031 8.528 -9.853 1.00 0.00 C ATOM 631 CG LEU B 746 13.478 8.022 -9.999 1.00 0.00 C ATOM 632 CD1 LEU B 746 14.491 9.165 -9.753 1.00 0.00 C ATOM 633 CD2 LEU B 746 13.709 6.884 -8.996 1.00 0.00 C ATOM 0 H LEU B 746 11.401 6.852 -8.175 1.00 0.00 H new ATOM 0 HA LEU B 746 12.633 9.386 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU B 746 11.333 7.756 -10.178 1.00 0.00 H new ATOM 0 HB3 LEU B 746 11.873 9.393 -10.497 1.00 0.00 H new ATOM 0 HG LEU B 746 13.628 7.657 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU B 746 15.506 8.782 -9.862 1.00 0.00 H new ATOM 0 HD12 LEU B 746 14.324 9.961 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU B 746 14.358 9.558 -8.745 1.00 0.00 H new ATOM 0 HD21 LEU B 746 14.731 6.518 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU B 746 13.548 7.253 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU B 746 13.012 6.071 -9.201 1.00 0.00 H new ATOM 645 N TYR B 747 9.369 9.353 -8.337 1.00 0.00 N ATOM 646 CA TYR B 747 8.183 10.194 -8.280 1.00 0.00 C ATOM 647 C TYR B 747 8.126 10.959 -6.965 1.00 0.00 C ATOM 648 O TYR B 747 7.843 12.157 -6.937 1.00 0.00 O ATOM 649 CB TYR B 747 6.934 9.332 -8.427 1.00 0.00 C ATOM 650 CG TYR B 747 5.703 10.196 -8.281 1.00 0.00 C ATOM 651 CD1 TYR B 747 5.267 10.980 -9.357 1.00 0.00 C ATOM 652 CD2 TYR B 747 5.003 10.215 -7.071 1.00 0.00 C ATOM 653 CE1 TYR B 747 4.129 11.785 -9.220 1.00 0.00 C ATOM 654 CE2 TYR B 747 3.865 11.019 -6.934 1.00 0.00 C ATOM 655 CZ TYR B 747 3.427 11.804 -8.008 1.00 0.00 C ATOM 656 OH TYR B 747 2.307 12.597 -7.872 1.00 0.00 O ATOM 0 H TYR B 747 9.181 8.352 -8.391 1.00 0.00 H new ATOM 0 HA TYR B 747 8.230 10.913 -9.097 1.00 0.00 H new ATOM 0 HB2 TYR B 747 6.932 8.839 -9.399 1.00 0.00 H new ATOM 0 HB3 TYR B 747 6.931 8.546 -7.672 1.00 0.00 H new ATOM 0 HD1 TYR B 747 5.808 10.964 -10.292 1.00 0.00 H new ATOM 0 HD2 TYR B 747 5.340 9.610 -6.242 1.00 0.00 H new ATOM 0 HE1 TYR B 747 3.793 12.391 -10.049 1.00 0.00 H new ATOM 0 HE2 TYR B 747 3.324 11.034 -5.999 1.00 0.00 H new ATOM 0 HH TYR B 747 1.939 12.492 -6.970 1.00 0.00 H new ATOM 666 N LYS B 748 8.386 10.249 -5.878 1.00 0.00 N ATOM 667 CA LYS B 748 8.353 10.856 -4.549 1.00 0.00 C ATOM 668 C LYS B 748 9.395 11.961 -4.447 1.00 0.00 C ATOM 669 O LYS B 748 9.143 13.017 -3.869 1.00 0.00 O ATOM 670 CB LYS B 748 8.628 9.798 -3.478 1.00 0.00 C ATOM 671 CG LYS B 748 7.517 8.751 -3.507 1.00 0.00 C ATOM 672 CD LYS B 748 7.791 7.679 -2.448 1.00 0.00 C ATOM 673 CE LYS B 748 6.747 6.565 -2.559 1.00 0.00 C ATOM 674 NZ LYS B 748 5.410 7.090 -2.163 1.00 0.00 N ATOM 0 H LYS B 748 8.621 9.257 -5.885 1.00 0.00 H new ATOM 0 HA LYS B 748 7.362 11.281 -4.390 1.00 0.00 H new ATOM 0 HB2 LYS B 748 9.594 9.325 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS B 748 8.679 10.264 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS B 748 6.553 9.224 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS B 748 7.460 8.294 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS B 748 8.791 7.268 -2.583 1.00 0.00 H new ATOM 0 HD3 LYS B 748 7.760 8.121 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS B 748 6.712 6.186 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS B 748 7.024 5.728 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 748 4.752 6.296 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 748 5.496 7.626 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 748 5.047 7.715 -2.911 1.00 0.00 H new ATOM 688 N GLU B 749 10.567 11.708 -5.014 1.00 0.00 N ATOM 689 CA GLU B 749 11.644 12.692 -4.985 1.00 0.00 C ATOM 690 C GLU B 749 11.239 13.954 -5.735 1.00 0.00 C ATOM 691 O GLU B 749 11.587 15.066 -5.335 1.00 0.00 O ATOM 692 CB GLU B 749 12.914 12.108 -5.610 1.00 0.00 C ATOM 693 CG GLU B 749 13.486 11.024 -4.693 1.00 0.00 C ATOM 694 CD GLU B 749 14.693 10.368 -5.352 1.00 0.00 C ATOM 695 OE1 GLU B 749 15.097 10.834 -6.405 1.00 0.00 O ATOM 696 OE2 GLU B 749 15.200 9.409 -4.792 1.00 0.00 O ATOM 0 H GLU B 749 10.796 10.839 -5.496 1.00 0.00 H new ATOM 0 HA GLU B 749 11.841 12.949 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU B 749 12.689 11.688 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU B 749 13.652 12.896 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU B 749 13.776 11.460 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU B 749 12.723 10.274 -4.483 1.00 0.00 H new ATOM 703 N ALA B 750 10.501 13.775 -6.821 1.00 0.00 N ATOM 704 CA ALA B 750 10.051 14.909 -7.622 1.00 0.00 C ATOM 705 C ALA B 750 9.089 15.783 -6.823 1.00 0.00 C ATOM 706 O ALA B 750 9.153 17.010 -6.887 1.00 0.00 O ATOM 707 CB ALA B 750 9.357 14.411 -8.891 1.00 0.00 C ATOM 0 H ALA B 750 10.202 12.864 -7.168 1.00 0.00 H new ATOM 0 HA ALA B 750 10.923 15.504 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA B 750 9.025 15.264 -9.483 1.00 0.00 H new ATOM 0 HB2 ALA B 750 10.055 13.813 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA B 750 8.496 13.800 -8.619 1.00 0.00 H new ATOM 713 N THR B 751 8.203 15.147 -6.064 1.00 0.00 N ATOM 714 CA THR B 751 7.239 15.872 -5.254 1.00 0.00 C ATOM 715 C THR B 751 7.943 16.643 -4.144 1.00 0.00 C ATOM 716 O THR B 751 7.519 17.735 -3.769 1.00 0.00 O ATOM 717 CB THR B 751 6.235 14.892 -4.650 1.00 0.00 C ATOM 718 OG1 THR B 751 6.931 13.825 -4.025 1.00 0.00 O ATOM 719 CG2 THR B 751 5.324 14.341 -5.747 1.00 0.00 C ATOM 0 H THR B 751 8.135 14.132 -5.995 1.00 0.00 H new ATOM 0 HA THR B 751 6.713 16.584 -5.890 1.00 0.00 H new ATOM 0 HB THR B 751 5.627 15.411 -3.909 1.00 0.00 H new ATOM 0 HG1 THR B 751 7.895 14.001 -4.055 1.00 0.00 H new ATOM 0 HG21 THR B 751 4.610 13.643 -5.310 1.00 0.00 H new ATOM 0 HG22 THR B 751 4.785 15.163 -6.219 1.00 0.00 H new ATOM 0 HG23 THR B 751 5.926 13.824 -6.495 1.00 0.00 H new ATOM 727 N SER B 752 9.016 16.065 -3.619 1.00 0.00 N ATOM 728 CA SER B 752 9.763 16.708 -2.546 1.00 0.00 C ATOM 729 C SER B 752 10.246 18.082 -2.988 1.00 0.00 C ATOM 730 O SER B 752 10.169 19.052 -2.234 1.00 0.00 O ATOM 731 CB SER B 752 10.962 15.839 -2.157 1.00 0.00 C ATOM 732 OG SER B 752 11.439 16.241 -0.879 1.00 0.00 O ATOM 0 H SER B 752 9.386 15.162 -3.915 1.00 0.00 H new ATOM 0 HA SER B 752 9.107 16.826 -1.684 1.00 0.00 H new ATOM 0 HB2 SER B 752 10.673 14.788 -2.136 1.00 0.00 H new ATOM 0 HB3 SER B 752 11.753 15.937 -2.900 1.00 0.00 H new ATOM 0 HG SER B 752 12.206 15.685 -0.626 1.00 0.00 H new ATOM 738 N THR B 753 10.744 18.161 -4.212 1.00 0.00 N ATOM 739 CA THR B 753 11.232 19.428 -4.740 1.00 0.00 C ATOM 740 C THR B 753 10.094 20.432 -4.889 1.00 0.00 C ATOM 741 O THR B 753 10.200 21.571 -4.443 1.00 0.00 O ATOM 742 CB THR B 753 11.909 19.209 -6.094 1.00 0.00 C ATOM 743 OG1 THR B 753 12.841 18.143 -5.986 1.00 0.00 O ATOM 744 CG2 THR B 753 12.638 20.486 -6.515 1.00 0.00 C ATOM 0 H THR B 753 10.821 17.372 -4.854 1.00 0.00 H new ATOM 0 HA THR B 753 11.958 19.831 -4.034 1.00 0.00 H new ATOM 0 HB THR B 753 11.156 18.961 -6.842 1.00 0.00 H new ATOM 0 HG1 THR B 753 13.275 17.999 -6.853 1.00 0.00 H new ATOM 0 HG21 THR B 753 13.120 20.329 -7.480 1.00 0.00 H new ATOM 0 HG22 THR B 753 11.922 21.304 -6.596 1.00 0.00 H new ATOM 0 HG23 THR B 753 13.392 20.737 -5.769 1.00 0.00 H new ATOM 752 N PHE B 754 9.007 19.995 -5.513 1.00 0.00 N ATOM 753 CA PHE B 754 7.847 20.852 -5.722 1.00 0.00 C ATOM 754 C PHE B 754 7.262 21.299 -4.387 1.00 0.00 C ATOM 755 O PHE B 754 6.832 22.442 -4.241 1.00 0.00 O ATOM 756 CB PHE B 754 6.791 20.084 -6.539 1.00 0.00 C ATOM 757 CG PHE B 754 7.073 20.222 -8.023 1.00 0.00 C ATOM 758 CD1 PHE B 754 8.220 19.638 -8.570 1.00 0.00 C ATOM 759 CD2 PHE B 754 6.190 20.934 -8.847 1.00 0.00 C ATOM 760 CE1 PHE B 754 8.486 19.761 -9.939 1.00 0.00 C ATOM 761 CE2 PHE B 754 6.457 21.058 -10.217 1.00 0.00 C ATOM 762 CZ PHE B 754 7.605 20.473 -10.762 1.00 0.00 C ATOM 0 H PHE B 754 8.905 19.050 -5.884 1.00 0.00 H new ATOM 0 HA PHE B 754 8.154 21.743 -6.270 1.00 0.00 H new ATOM 0 HB2 PHE B 754 6.798 19.031 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE B 754 5.796 20.468 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE B 754 8.902 19.091 -7.935 1.00 0.00 H new ATOM 0 HD2 PHE B 754 5.304 21.387 -8.426 1.00 0.00 H new ATOM 0 HE1 PHE B 754 9.371 19.307 -10.360 1.00 0.00 H new ATOM 0 HE2 PHE B 754 5.776 21.605 -10.852 1.00 0.00 H new ATOM 0 HZ PHE B 754 7.812 20.571 -11.818 1.00 0.00 H new ATOM 772 N THR B 755 7.245 20.397 -3.418 1.00 0.00 N ATOM 773 CA THR B 755 6.708 20.721 -2.115 1.00 0.00 C ATOM 774 C THR B 755 7.512 21.847 -1.475 1.00 0.00 C ATOM 775 O THR B 755 6.966 22.693 -0.768 1.00 0.00 O ATOM 776 CB THR B 755 6.739 19.480 -1.227 1.00 0.00 C ATOM 777 OG1 THR B 755 8.012 18.863 -1.324 1.00 0.00 O ATOM 778 CG2 THR B 755 5.648 18.495 -1.661 1.00 0.00 C ATOM 0 H THR B 755 7.595 19.444 -3.512 1.00 0.00 H new ATOM 0 HA THR B 755 5.677 21.056 -2.228 1.00 0.00 H new ATOM 0 HB THR B 755 6.556 19.773 -0.193 1.00 0.00 H new ATOM 0 HG1 THR B 755 8.674 19.523 -1.618 1.00 0.00 H new ATOM 0 HG21 THR B 755 5.679 17.613 -1.021 1.00 0.00 H new ATOM 0 HG22 THR B 755 4.672 18.972 -1.575 1.00 0.00 H new ATOM 0 HG23 THR B 755 5.817 18.198 -2.696 1.00 0.00 H new ATOM 786 N ASN B 756 8.809 21.857 -1.734 1.00 0.00 N ATOM 787 CA ASN B 756 9.672 22.892 -1.186 1.00 0.00 C ATOM 788 C ASN B 756 9.323 24.255 -1.782 1.00 0.00 C ATOM 789 O ASN B 756 9.229 25.245 -1.063 1.00 0.00 O ATOM 790 CB ASN B 756 11.138 22.563 -1.479 1.00 0.00 C ATOM 791 CG ASN B 756 12.044 23.635 -0.882 1.00 0.00 C ATOM 792 OD1 ASN B 756 11.753 24.171 0.187 1.00 0.00 O ATOM 793 ND2 ASN B 756 13.134 23.980 -1.512 1.00 0.00 N ATOM 0 H ASN B 756 9.285 21.167 -2.315 1.00 0.00 H new ATOM 0 HA ASN B 756 9.519 22.931 -0.108 1.00 0.00 H new ATOM 0 HB2 ASN B 756 11.391 21.588 -1.062 1.00 0.00 H new ATOM 0 HB3 ASN B 756 11.297 22.500 -2.556 1.00 0.00 H new ATOM 0 HD21 ASN B 756 13.746 24.695 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN B 756 13.374 23.535 -2.398 1.00 0.00 H new ATOM 800 N ILE B 757 9.151 24.303 -3.102 1.00 0.00 N ATOM 801 CA ILE B 757 8.825 25.562 -3.772 1.00 0.00 C ATOM 802 C ILE B 757 7.405 26.004 -3.459 1.00 0.00 C ATOM 803 O ILE B 757 7.155 27.160 -3.119 1.00 0.00 O ATOM 804 CB ILE B 757 8.981 25.404 -5.286 1.00 0.00 C ATOM 805 CG1 ILE B 757 10.329 24.740 -5.568 1.00 0.00 C ATOM 806 CG2 ILE B 757 8.935 26.786 -5.947 1.00 0.00 C ATOM 807 CD1 ILE B 757 10.717 24.896 -7.044 1.00 0.00 C ATOM 0 H ILE B 757 9.230 23.497 -3.722 1.00 0.00 H new ATOM 0 HA ILE B 757 9.514 26.323 -3.404 1.00 0.00 H new ATOM 0 HB ILE B 757 8.175 24.790 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE B 757 11.098 25.186 -4.937 1.00 0.00 H new ATOM 0 HG13 ILE B 757 10.279 23.682 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE B 757 9.046 26.677 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE B 757 7.980 27.263 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE B 757 9.746 27.402 -5.559 1.00 0.00 H new ATOM 0 HD11 ILE B 757 11.679 24.416 -7.220 1.00 0.00 H new ATOM 0 HD12 ILE B 757 9.958 24.428 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE B 757 10.790 25.955 -7.291 1.00 0.00 H new ATOM 819 N THR B 758 6.485 25.065 -3.587 1.00 0.00 N ATOM 820 CA THR B 758 5.074 25.339 -3.334 1.00 0.00 C ATOM 821 C THR B 758 4.875 25.770 -1.892 1.00 0.00 C ATOM 822 O THR B 758 3.795 26.218 -1.504 1.00 0.00 O ATOM 823 CB THR B 758 4.233 24.086 -3.649 1.00 0.00 C ATOM 824 OG1 THR B 758 2.966 24.480 -4.158 1.00 0.00 O ATOM 825 CG2 THR B 758 4.023 23.223 -2.395 1.00 0.00 C ATOM 0 H THR B 758 6.685 24.104 -3.865 1.00 0.00 H new ATOM 0 HA THR B 758 4.745 26.151 -3.982 1.00 0.00 H new ATOM 0 HB THR B 758 4.773 23.495 -4.389 1.00 0.00 H new ATOM 0 HG1 THR B 758 2.432 23.683 -4.360 1.00 0.00 H new ATOM 0 HG21 THR B 758 3.426 22.348 -2.651 1.00 0.00 H new ATOM 0 HG22 THR B 758 4.990 22.902 -2.008 1.00 0.00 H new ATOM 0 HG23 THR B 758 3.503 23.806 -1.635 1.00 0.00 H new