USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 725 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 709 THR OG1 : rot 180:sc= 0.459 USER MOD Set 1.2: A 711 SER OG : rot 180:sc= 0 USER MOD Single : A 679 LYS NZ :NH3+ -156:sc= 0.858 (180deg=0.448) USER MOD Single : A 680 GLN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : A 681 LYS NZ :NH3+ -173:sc= -0.894! (180deg=-1.01!) USER MOD Single : A 687 TYR OH : rot 180:sc= -0.305 USER MOD Single : A 693 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 694 SER OG : rot 127:sc= 0.959 USER MOD Single : A 695 LYS NZ :NH3+ 158:sc= -2.35! (180deg=-3.46!) USER MOD Single : A 698 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 704 SER OG : rot -82:sc= -3.09! USER MOD Single : A 705 LYS NZ :NH3+ -166:sc= 1.99 (180deg=1.63) USER MOD Single : A 707 ASN : amide:sc= -0.0648 X(o=-0.065,f=-0.034) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 73:sc= -0.81 USER MOD Single : A 718 SER OG : rot 126:sc= -1.75! USER MOD Single : A 719 GLN : amide:sc= -0.703 K(o=-0.7,f=-0.17) USER MOD Single : A 720 SER OG : rot 84:sc= 1.26 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 724 LYS NZ :NH3+ -149:sc= 0.427 (180deg=0) USER MOD Single : A 727 ASN : amide:sc= -6.13! C(o=-6.1!,f=-8.9!) USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.2) USER MOD Single : A 739 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 745 SER OG : rot 180:sc= 0 USER MOD Single : A 746 HIS : no HE2:sc= 1.05 K(o=1,f=-6!) USER MOD Single : A 747 SER OG : rot 180:sc= 0.0949 USER MOD Single : A 750 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 SER OG : rot 180:sc= 0.388 USER MOD Single : A 754 SER OG : rot 180:sc= 0 USER MOD Single : A 756 THR OG1 : rot -132:sc= -2.07 USER MOD Single : A 759 CYS SG : rot 58:sc= 0.299 USER MOD Single : A 764 SER OG : rot 180:sc= -0.0502 USER MOD Single : A 765 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -10.669 8.433 6.196 1.00 0.86 N ATOM 2 CA LYS A 679 -9.205 8.653 6.258 1.00 0.72 C ATOM 3 C LYS A 679 -8.533 7.580 7.116 1.00 0.66 C ATOM 4 O LYS A 679 -7.366 7.259 6.907 1.00 1.02 O ATOM 5 CB LYS A 679 -8.903 10.044 6.833 1.00 0.92 C ATOM 6 CG LYS A 679 -7.418 10.369 6.970 1.00 0.97 C ATOM 7 CD LYS A 679 -6.766 10.663 5.625 1.00 1.12 C ATOM 8 CE LYS A 679 -5.294 11.001 5.792 1.00 1.43 C ATOM 9 NZ LYS A 679 -4.711 11.600 4.561 1.00 2.26 N ATOM 0 HA LYS A 679 -8.806 8.590 5.246 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -9.368 10.795 6.194 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -9.371 10.126 7.814 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -7.296 11.230 7.627 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -6.907 9.531 7.444 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -6.872 9.798 4.970 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -7.280 11.494 5.142 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -5.175 11.696 6.623 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -4.743 10.097 6.050 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -3.683 11.444 4.552 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -5.136 11.154 3.723 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -4.906 12.621 4.546 1.00 2.26 H new ATOM 25 N GLN A 680 -9.263 7.022 8.077 1.00 0.54 N ATOM 26 CA GLN A 680 -8.681 6.025 8.972 1.00 0.71 C ATOM 27 C GLN A 680 -9.131 4.603 8.630 1.00 0.50 C ATOM 28 O GLN A 680 -10.309 4.263 8.734 1.00 0.78 O ATOM 29 CB GLN A 680 -9.032 6.337 10.427 1.00 1.24 C ATOM 30 CG GLN A 680 -8.425 7.631 10.945 1.00 1.84 C ATOM 31 CD GLN A 680 -8.654 7.830 12.432 1.00 2.28 C ATOM 32 OE1 GLN A 680 -7.830 8.429 13.123 1.00 2.61 O ATOM 33 NE2 GLN A 680 -9.775 7.335 12.934 1.00 2.98 N ATOM 0 H GLN A 680 -10.244 7.238 8.256 1.00 0.54 H new ATOM 0 HA GLN A 680 -7.601 6.075 8.837 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -10.116 6.391 10.525 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -8.696 5.513 11.056 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -7.354 7.632 10.743 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -8.853 8.472 10.400 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -10.433 6.845 12.328 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -9.981 7.444 13.927 1.00 2.98 H new ATOM 42 N LYS A 681 -8.168 3.792 8.212 1.00 0.53 N ATOM 43 CA LYS A 681 -8.363 2.363 7.995 1.00 0.44 C ATOM 44 C LYS A 681 -7.008 1.666 8.124 1.00 0.37 C ATOM 45 O LYS A 681 -6.010 2.165 7.602 1.00 0.55 O ATOM 46 CB LYS A 681 -8.992 2.109 6.620 1.00 0.63 C ATOM 47 CG LYS A 681 -8.339 2.906 5.503 1.00 0.67 C ATOM 48 CD LYS A 681 -8.819 2.491 4.127 1.00 0.70 C ATOM 49 CE LYS A 681 -8.651 1.007 3.893 1.00 0.87 C ATOM 50 NZ LYS A 681 -9.220 0.592 2.589 1.00 1.44 N ATOM 0 H LYS A 681 -7.220 4.110 8.012 1.00 0.53 H new ATOM 0 HA LYS A 681 -9.048 1.960 8.741 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -8.922 1.046 6.387 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -10.052 2.357 6.662 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -8.546 3.966 5.650 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -7.258 2.781 5.558 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -9.869 2.759 4.013 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -8.265 3.043 3.368 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -7.592 0.750 3.927 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -9.139 0.454 4.696 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -9.194 -0.445 2.513 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -10.204 0.920 2.520 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -8.661 1.009 1.818 1.00 1.44 H new ATOM 64 N VAL A 682 -6.948 0.537 8.823 1.00 0.33 N ATOM 65 CA VAL A 682 -5.660 -0.076 9.128 1.00 0.35 C ATOM 66 C VAL A 682 -5.412 -1.352 8.324 1.00 0.37 C ATOM 67 O VAL A 682 -6.023 -2.397 8.558 1.00 0.46 O ATOM 68 CB VAL A 682 -5.541 -0.357 10.644 1.00 0.49 C ATOM 69 CG1 VAL A 682 -6.782 -1.061 11.162 1.00 1.36 C ATOM 70 CG2 VAL A 682 -4.305 -1.178 10.946 1.00 1.32 C ATOM 0 H VAL A 682 -7.760 0.036 9.183 1.00 0.33 H new ATOM 0 HA VAL A 682 -4.890 0.637 8.835 1.00 0.35 H new ATOM 0 HB VAL A 682 -5.450 0.601 11.155 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -6.675 -1.248 12.230 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -7.656 -0.432 10.989 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -6.908 -2.009 10.639 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -4.244 -1.362 12.019 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -4.362 -2.129 10.417 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -3.418 -0.634 10.620 1.00 1.32 H new ATOM 80 N LEU A 683 -4.524 -1.229 7.350 1.00 0.34 N ATOM 81 CA LEU A 683 -4.126 -2.345 6.507 1.00 0.39 C ATOM 82 C LEU A 683 -2.645 -2.672 6.658 1.00 0.38 C ATOM 83 O LEU A 683 -1.794 -1.793 6.478 1.00 0.38 O ATOM 84 CB LEU A 683 -4.438 -2.017 5.057 1.00 0.47 C ATOM 85 CG LEU A 683 -5.899 -1.678 4.799 1.00 0.82 C ATOM 86 CD1 LEU A 683 -6.077 -1.174 3.379 1.00 1.44 C ATOM 87 CD2 LEU A 683 -6.774 -2.894 5.053 1.00 1.55 C ATOM 0 H LEU A 683 -4.058 -0.351 7.121 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.689 -3.224 6.822 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.820 -1.175 4.745 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -4.158 -2.867 4.435 1.00 0.47 H new ATOM 0 HG LEU A 683 -6.204 -0.888 5.485 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -7.126 -0.935 3.207 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -5.472 -0.279 3.232 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -5.761 -1.945 2.677 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -7.817 -2.638 4.865 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -6.474 -3.704 4.388 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.660 -3.214 6.089 1.00 1.55 H new ATOM 99 N PRO A 684 -2.283 -3.909 7.007 1.00 0.41 N ATOM 100 CA PRO A 684 -0.911 -4.345 6.821 1.00 0.40 C ATOM 101 C PRO A 684 -0.673 -4.752 5.365 1.00 0.38 C ATOM 102 O PRO A 684 -1.435 -5.531 4.794 1.00 0.43 O ATOM 103 CB PRO A 684 -0.806 -5.545 7.760 1.00 0.48 C ATOM 104 CG PRO A 684 -2.195 -6.094 7.851 1.00 0.65 C ATOM 105 CD PRO A 684 -3.142 -4.943 7.603 1.00 0.48 C ATOM 0 HA PRO A 684 -0.171 -3.574 7.035 1.00 0.40 H new ATOM 0 HB2 PRO A 684 -0.113 -6.290 7.371 1.00 0.48 H new ATOM 0 HB3 PRO A 684 -0.435 -5.247 8.741 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.347 -6.884 7.115 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -2.372 -6.535 8.832 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -3.951 -5.228 6.931 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.603 -4.597 8.528 1.00 0.48 H new ATOM 113 N VAL A 685 0.385 -4.234 4.767 1.00 0.34 N ATOM 114 CA VAL A 685 0.732 -4.575 3.392 1.00 0.33 C ATOM 115 C VAL A 685 2.010 -5.414 3.333 1.00 0.30 C ATOM 116 O VAL A 685 2.946 -5.134 4.069 1.00 0.33 O ATOM 117 CB VAL A 685 0.874 -3.305 2.533 1.00 0.39 C ATOM 118 CG1 VAL A 685 -0.470 -2.600 2.420 1.00 0.45 C ATOM 119 CG2 VAL A 685 1.909 -2.362 3.121 1.00 0.60 C ATOM 0 H VAL A 685 1.023 -3.573 5.211 1.00 0.34 H new ATOM 0 HA VAL A 685 -0.081 -5.176 2.984 1.00 0.33 H new ATOM 0 HB VAL A 685 1.209 -3.601 1.539 1.00 0.39 H new ATOM 0 HG11 VAL A 685 -0.360 -1.703 1.811 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -1.194 -3.269 1.954 1.00 0.45 H new ATOM 0 HG13 VAL A 685 -0.820 -2.323 3.414 1.00 0.45 H new ATOM 0 HG21 VAL A 685 1.989 -1.474 2.495 1.00 0.60 H new ATOM 0 HG22 VAL A 685 1.606 -2.071 4.127 1.00 0.60 H new ATOM 0 HG23 VAL A 685 2.876 -2.864 3.164 1.00 0.60 H new ATOM 129 N PHE A 686 2.071 -6.408 2.448 1.00 0.33 N ATOM 130 CA PHE A 686 3.265 -7.258 2.349 1.00 0.37 C ATOM 131 C PHE A 686 4.046 -6.969 1.079 1.00 0.44 C ATOM 132 O PHE A 686 3.705 -7.422 -0.007 1.00 0.70 O ATOM 133 CB PHE A 686 2.951 -8.762 2.448 1.00 0.62 C ATOM 134 CG PHE A 686 1.892 -9.330 1.515 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.152 -8.533 0.648 1.00 1.55 C ATOM 136 CD2 PHE A 686 1.645 -10.695 1.520 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.198 -9.088 -0.188 1.00 2.32 C ATOM 138 CE2 PHE A 686 0.693 -11.251 0.688 1.00 2.43 C ATOM 139 CZ PHE A 686 -0.030 -10.447 -0.168 1.00 2.65 C ATOM 0 H PHE A 686 1.322 -6.645 1.797 1.00 0.33 H new ATOM 0 HA PHE A 686 3.880 -7.003 3.212 1.00 0.37 H new ATOM 0 HB2 PHE A 686 3.878 -9.309 2.275 1.00 0.62 H new ATOM 0 HB3 PHE A 686 2.643 -8.973 3.472 1.00 0.62 H new ATOM 0 HD1 PHE A 686 1.324 -7.467 0.627 1.00 1.55 H new ATOM 0 HD2 PHE A 686 2.207 -11.334 2.186 1.00 1.65 H new ATOM 0 HE1 PHE A 686 -0.368 -8.456 -0.856 1.00 2.32 H new ATOM 0 HE2 PHE A 686 0.515 -12.316 0.708 1.00 2.43 H new ATOM 0 HZ PHE A 686 -0.773 -10.881 -0.821 1.00 2.65 H new ATOM 149 N TYR A 687 5.114 -6.229 1.222 1.00 0.46 N ATOM 150 CA TYR A 687 5.850 -5.761 0.081 1.00 0.69 C ATOM 151 C TYR A 687 7.323 -6.073 0.190 1.00 0.50 C ATOM 152 O TYR A 687 7.895 -6.104 1.280 1.00 0.64 O ATOM 153 CB TYR A 687 5.612 -4.283 -0.143 1.00 1.33 C ATOM 154 CG TYR A 687 5.973 -3.373 1.007 1.00 2.53 C ATOM 155 CD1 TYR A 687 5.007 -2.948 1.909 1.00 3.44 C ATOM 156 CD2 TYR A 687 7.267 -2.906 1.165 1.00 3.03 C ATOM 157 CE1 TYR A 687 5.321 -2.078 2.933 1.00 4.64 C ATOM 158 CE2 TYR A 687 7.590 -2.046 2.192 1.00 4.21 C ATOM 159 CZ TYR A 687 6.615 -1.633 3.071 1.00 4.97 C ATOM 160 OH TYR A 687 6.933 -0.754 4.079 1.00 6.20 O ATOM 0 H TYR A 687 5.494 -5.937 2.123 1.00 0.46 H new ATOM 0 HA TYR A 687 5.479 -6.300 -0.791 1.00 0.69 H new ATOM 0 HB2 TYR A 687 6.181 -3.972 -1.019 1.00 1.33 H new ATOM 0 HB3 TYR A 687 4.558 -4.137 -0.379 1.00 1.33 H new ATOM 0 HD1 TYR A 687 3.993 -3.304 1.808 1.00 3.44 H new ATOM 0 HD2 TYR A 687 8.034 -3.220 0.473 1.00 3.03 H new ATOM 0 HE1 TYR A 687 4.556 -1.749 3.621 1.00 4.64 H new ATOM 0 HE2 TYR A 687 8.606 -1.697 2.307 1.00 4.21 H new ATOM 0 HH TYR A 687 7.888 -0.540 4.037 1.00 6.20 H new ATOM 170 N PHE A 688 7.943 -6.344 -0.932 1.00 0.57 N ATOM 171 CA PHE A 688 9.358 -6.638 -0.900 1.00 0.60 C ATOM 172 C PHE A 688 10.098 -5.327 -1.036 1.00 0.63 C ATOM 173 O PHE A 688 10.097 -4.690 -2.092 1.00 0.69 O ATOM 174 CB PHE A 688 9.750 -7.616 -2.005 1.00 0.81 C ATOM 175 CG PHE A 688 9.120 -8.972 -1.859 1.00 1.20 C ATOM 176 CD1 PHE A 688 7.902 -9.254 -2.457 1.00 1.75 C ATOM 177 CD2 PHE A 688 9.746 -9.963 -1.123 1.00 1.41 C ATOM 178 CE1 PHE A 688 7.323 -10.501 -2.324 1.00 2.40 C ATOM 179 CE2 PHE A 688 9.172 -11.211 -0.985 1.00 2.00 C ATOM 180 CZ PHE A 688 7.959 -11.481 -1.586 1.00 2.48 C ATOM 0 H PHE A 688 7.508 -6.368 -1.854 1.00 0.57 H new ATOM 0 HA PHE A 688 9.620 -7.122 0.041 1.00 0.60 H new ATOM 0 HB2 PHE A 688 9.466 -7.195 -2.969 1.00 0.81 H new ATOM 0 HB3 PHE A 688 10.834 -7.727 -2.013 1.00 0.81 H new ATOM 0 HD1 PHE A 688 7.400 -8.491 -3.033 1.00 1.75 H new ATOM 0 HD2 PHE A 688 10.695 -9.757 -0.651 1.00 1.41 H new ATOM 0 HE1 PHE A 688 6.374 -10.710 -2.796 1.00 2.40 H new ATOM 0 HE2 PHE A 688 9.671 -11.975 -0.408 1.00 2.00 H new ATOM 0 HZ PHE A 688 7.508 -12.456 -1.480 1.00 2.48 H new ATOM 190 N ALA A 689 10.728 -4.940 0.058 1.00 0.73 N ATOM 191 CA ALA A 689 11.210 -3.588 0.232 1.00 0.85 C ATOM 192 C ALA A 689 12.508 -3.363 -0.483 1.00 0.81 C ATOM 193 O ALA A 689 13.402 -4.208 -0.457 1.00 0.80 O ATOM 194 CB ALA A 689 11.381 -3.276 1.712 1.00 1.07 C ATOM 0 H ALA A 689 10.918 -5.556 0.849 1.00 0.73 H new ATOM 0 HA ALA A 689 10.466 -2.919 -0.200 1.00 0.85 H new ATOM 0 HB1 ALA A 689 11.744 -2.255 1.829 1.00 1.07 H new ATOM 0 HB2 ALA A 689 10.422 -3.380 2.219 1.00 1.07 H new ATOM 0 HB3 ALA A 689 12.100 -3.969 2.149 1.00 1.07 H new ATOM 200 N ARG A 690 12.619 -2.217 -1.121 1.00 0.87 N ATOM 201 CA ARG A 690 13.887 -1.838 -1.687 1.00 0.87 C ATOM 202 C ARG A 690 14.642 -1.014 -0.678 1.00 0.85 C ATOM 203 O ARG A 690 14.639 0.220 -0.667 1.00 0.97 O ATOM 204 CB ARG A 690 13.704 -1.109 -3.006 1.00 1.06 C ATOM 205 CG ARG A 690 13.796 -2.045 -4.197 1.00 1.22 C ATOM 206 CD ARG A 690 12.956 -3.298 -4.000 1.00 1.47 C ATOM 207 NE ARG A 690 13.741 -4.504 -4.272 1.00 2.19 N ATOM 208 CZ ARG A 690 13.229 -5.724 -4.413 1.00 2.74 C ATOM 209 NH1 ARG A 690 11.940 -5.942 -4.197 1.00 2.85 N ATOM 210 NH2 ARG A 690 14.026 -6.735 -4.733 1.00 3.57 N ATOM 0 H ARG A 690 11.862 -1.547 -1.257 1.00 0.87 H new ATOM 0 HA ARG A 690 14.471 -2.730 -1.914 1.00 0.87 H new ATOM 0 HB2 ARG A 690 12.735 -0.611 -3.012 1.00 1.06 H new ATOM 0 HB3 ARG A 690 14.463 -0.332 -3.098 1.00 1.06 H new ATOM 0 HG2 ARG A 690 13.465 -1.523 -5.095 1.00 1.22 H new ATOM 0 HG3 ARG A 690 14.837 -2.327 -4.358 1.00 1.22 H new ATOM 0 HD2 ARG A 690 12.577 -3.329 -2.979 1.00 1.47 H new ATOM 0 HD3 ARG A 690 12.090 -3.267 -4.661 1.00 1.47 H new ATOM 0 HE ARG A 690 14.752 -4.401 -4.360 1.00 2.19 H new ATOM 0 HH11 ARG A 690 11.332 -5.171 -3.920 1.00 2.85 H new ATOM 0 HH12 ARG A 690 11.556 -6.880 -4.307 1.00 2.85 H new ATOM 0 HH21 ARG A 690 15.024 -6.574 -4.869 1.00 3.57 H new ATOM 0 HH22 ARG A 690 13.641 -7.673 -4.843 1.00 3.57 H new ATOM 224 N GLU A 691 15.258 -1.771 0.178 1.00 0.74 N ATOM 225 CA GLU A 691 16.146 -1.314 1.203 1.00 0.73 C ATOM 226 C GLU A 691 17.567 -1.643 0.769 1.00 0.72 C ATOM 227 O GLU A 691 17.754 -2.218 -0.307 1.00 0.76 O ATOM 228 CB GLU A 691 15.792 -1.955 2.553 1.00 0.70 C ATOM 229 CG GLU A 691 14.425 -1.557 3.090 1.00 0.99 C ATOM 230 CD GLU A 691 14.248 -1.884 4.565 1.00 1.45 C ATOM 231 OE1 GLU A 691 14.608 -3.008 4.989 1.00 1.87 O ATOM 232 OE2 GLU A 691 13.745 -1.015 5.308 1.00 1.98 O ATOM 0 H GLU A 691 15.147 -2.785 0.179 1.00 0.74 H new ATOM 0 HA GLU A 691 16.052 -0.237 1.341 1.00 0.73 H new ATOM 0 HB2 GLU A 691 15.828 -3.039 2.449 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.552 -1.680 3.284 1.00 0.70 H new ATOM 0 HG2 GLU A 691 14.279 -0.487 2.941 1.00 0.99 H new ATOM 0 HG3 GLU A 691 13.652 -2.067 2.515 1.00 0.99 H new ATOM 239 N PRO A 692 18.576 -1.218 1.538 1.00 0.77 N ATOM 240 CA PRO A 692 19.980 -1.678 1.427 1.00 0.85 C ATOM 241 C PRO A 692 20.152 -3.208 1.224 1.00 0.85 C ATOM 242 O PRO A 692 21.274 -3.713 1.219 1.00 1.01 O ATOM 243 CB PRO A 692 20.610 -1.253 2.762 1.00 0.96 C ATOM 244 CG PRO A 692 19.505 -0.650 3.571 1.00 0.96 C ATOM 245 CD PRO A 692 18.457 -0.210 2.596 1.00 0.88 C ATOM 0 HA PRO A 692 20.445 -1.245 0.541 1.00 0.85 H new ATOM 0 HB2 PRO A 692 21.047 -2.109 3.276 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.413 -0.533 2.602 1.00 0.96 H new ATOM 0 HG2 PRO A 692 19.099 -1.376 4.276 1.00 0.96 H new ATOM 0 HG3 PRO A 692 19.869 0.194 4.157 1.00 0.96 H new ATOM 0 HD2 PRO A 692 17.463 -0.204 3.042 1.00 0.88 H new ATOM 0 HD3 PRO A 692 18.645 0.797 2.222 1.00 0.88 H new ATOM 253 N HIS A 693 19.027 -3.916 1.079 1.00 0.76 N ATOM 254 CA HIS A 693 18.920 -5.367 1.121 1.00 0.84 C ATOM 255 C HIS A 693 18.985 -5.838 2.551 1.00 0.83 C ATOM 256 O HIS A 693 19.776 -6.697 2.937 1.00 1.01 O ATOM 257 CB HIS A 693 19.977 -6.060 0.245 1.00 1.08 C ATOM 258 CG HIS A 693 19.806 -7.548 0.148 1.00 1.45 C ATOM 259 ND1 HIS A 693 20.843 -8.433 0.336 1.00 1.93 N ATOM 260 CD2 HIS A 693 18.713 -8.303 -0.118 1.00 2.20 C ATOM 261 CE1 HIS A 693 20.399 -9.665 0.191 1.00 2.48 C ATOM 262 NE2 HIS A 693 19.110 -9.616 -0.086 1.00 2.61 N ATOM 0 H HIS A 693 18.126 -3.465 0.922 1.00 0.76 H new ATOM 0 HA HIS A 693 17.954 -5.648 0.700 1.00 0.84 H new ATOM 0 HB2 HIS A 693 19.940 -5.634 -0.758 1.00 1.08 H new ATOM 0 HB3 HIS A 693 20.967 -5.843 0.647 1.00 1.08 H new ATOM 0 HD2 HIS A 693 17.716 -7.939 -0.318 1.00 2.20 H new ATOM 0 HE1 HIS A 693 20.991 -10.564 0.283 1.00 2.48 H new ATOM 0 HE2 HIS A 693 18.507 -10.422 -0.250 1.00 2.61 H new ATOM 271 N SER A 694 18.136 -5.203 3.329 1.00 0.71 N ATOM 272 CA SER A 694 17.725 -5.706 4.606 1.00 0.76 C ATOM 273 C SER A 694 16.470 -6.544 4.396 1.00 0.68 C ATOM 274 O SER A 694 16.060 -6.766 3.254 1.00 0.62 O ATOM 275 CB SER A 694 17.478 -4.557 5.580 1.00 0.82 C ATOM 276 OG SER A 694 17.213 -3.353 4.883 1.00 1.14 O ATOM 0 H SER A 694 17.710 -4.310 3.082 1.00 0.71 H new ATOM 0 HA SER A 694 18.507 -6.326 5.044 1.00 0.76 H new ATOM 0 HB2 SER A 694 16.636 -4.799 6.229 1.00 0.82 H new ATOM 0 HB3 SER A 694 18.349 -4.426 6.223 1.00 0.82 H new ATOM 0 HG SER A 694 16.373 -2.966 5.207 1.00 1.14 H new ATOM 282 N LYS A 695 15.875 -7.007 5.472 1.00 0.75 N ATOM 283 CA LYS A 695 14.713 -7.879 5.391 1.00 0.73 C ATOM 284 C LYS A 695 13.538 -7.203 4.667 1.00 0.59 C ATOM 285 O LYS A 695 13.242 -6.026 4.896 1.00 0.56 O ATOM 286 CB LYS A 695 14.265 -8.281 6.812 1.00 0.91 C ATOM 287 CG LYS A 695 13.718 -7.119 7.649 1.00 1.71 C ATOM 288 CD LYS A 695 14.814 -6.169 8.120 1.00 2.33 C ATOM 289 CE LYS A 695 14.252 -4.844 8.614 1.00 3.33 C ATOM 290 NZ LYS A 695 13.672 -4.027 7.506 1.00 4.08 N ATOM 0 H LYS A 695 16.176 -6.795 6.423 1.00 0.75 H new ATOM 0 HA LYS A 695 15.003 -8.760 4.819 1.00 0.73 H new ATOM 0 HB2 LYS A 695 13.498 -9.052 6.735 1.00 0.91 H new ATOM 0 HB3 LYS A 695 15.111 -8.725 7.336 1.00 0.91 H new ATOM 0 HG2 LYS A 695 12.989 -6.563 7.059 1.00 1.71 H new ATOM 0 HG3 LYS A 695 13.190 -7.517 8.516 1.00 1.71 H new ATOM 0 HD2 LYS A 695 15.383 -6.642 8.921 1.00 2.33 H new ATOM 0 HD3 LYS A 695 15.509 -5.984 7.301 1.00 2.33 H new ATOM 0 HE2 LYS A 695 13.483 -5.034 9.363 1.00 3.33 H new ATOM 0 HE3 LYS A 695 15.043 -4.277 9.105 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 12.992 -3.344 7.897 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 14.434 -3.515 7.016 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 13.186 -4.652 6.832 1.00 4.08 H new ATOM 304 N PRO A 696 12.877 -7.955 3.757 1.00 0.58 N ATOM 305 CA PRO A 696 11.655 -7.505 3.076 1.00 0.49 C ATOM 306 C PRO A 696 10.598 -7.072 4.081 1.00 0.45 C ATOM 307 O PRO A 696 10.546 -7.595 5.199 1.00 0.57 O ATOM 308 CB PRO A 696 11.194 -8.745 2.307 1.00 0.63 C ATOM 309 CG PRO A 696 12.436 -9.535 2.093 1.00 0.94 C ATOM 310 CD PRO A 696 13.291 -9.297 3.306 1.00 0.74 C ATOM 0 HA PRO A 696 11.825 -6.642 2.432 1.00 0.49 H new ATOM 0 HB2 PRO A 696 10.456 -9.312 2.874 1.00 0.63 H new ATOM 0 HB3 PRO A 696 10.728 -8.474 1.360 1.00 0.63 H new ATOM 0 HG2 PRO A 696 12.209 -10.595 1.977 1.00 0.94 H new ATOM 0 HG3 PRO A 696 12.949 -9.217 1.185 1.00 0.94 H new ATOM 0 HD2 PRO A 696 13.117 -10.051 4.074 1.00 0.74 H new ATOM 0 HD3 PRO A 696 14.353 -9.329 3.062 1.00 0.74 H new ATOM 318 N ILE A 697 9.733 -6.144 3.695 1.00 0.46 N ATOM 319 CA ILE A 697 8.924 -5.463 4.681 1.00 0.56 C ATOM 320 C ILE A 697 7.434 -5.509 4.396 1.00 0.51 C ATOM 321 O ILE A 697 6.942 -4.987 3.404 1.00 0.63 O ATOM 322 CB ILE A 697 9.376 -3.995 4.851 1.00 0.82 C ATOM 323 CG1 ILE A 697 10.677 -3.957 5.644 1.00 1.02 C ATOM 324 CG2 ILE A 697 8.301 -3.179 5.564 1.00 1.01 C ATOM 325 CD1 ILE A 697 10.533 -4.557 7.027 1.00 1.15 C ATOM 0 H ILE A 697 9.579 -5.854 2.729 1.00 0.46 H new ATOM 0 HA ILE A 697 9.083 -6.011 5.610 1.00 0.56 H new ATOM 0 HB ILE A 697 9.537 -3.557 3.866 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.448 -4.498 5.096 1.00 1.02 H new ATOM 0 HG13 ILE A 697 11.014 -2.924 5.733 1.00 1.02 H new ATOM 0 HG21 ILE A 697 8.639 -2.149 5.674 1.00 1.01 H new ATOM 0 HG22 ILE A 697 7.381 -3.199 4.979 1.00 1.01 H new ATOM 0 HG23 ILE A 697 8.114 -3.606 6.549 1.00 1.01 H new ATOM 0 HD11 ILE A 697 11.489 -4.504 7.548 1.00 1.15 H new ATOM 0 HD12 ILE A 697 9.782 -4.001 7.589 1.00 1.15 H new ATOM 0 HD13 ILE A 697 10.224 -5.599 6.941 1.00 1.15 H new ATOM 337 N LYS A 698 6.727 -6.145 5.296 1.00 0.56 N ATOM 338 CA LYS A 698 5.305 -5.966 5.399 1.00 0.65 C ATOM 339 C LYS A 698 5.049 -4.904 6.454 1.00 0.46 C ATOM 340 O LYS A 698 5.369 -5.106 7.626 1.00 0.52 O ATOM 341 CB LYS A 698 4.645 -7.286 5.793 1.00 1.04 C ATOM 342 CG LYS A 698 3.195 -7.151 6.222 1.00 1.91 C ATOM 343 CD LYS A 698 2.847 -8.166 7.289 1.00 2.12 C ATOM 344 CE LYS A 698 1.354 -8.195 7.569 1.00 2.62 C ATOM 345 NZ LYS A 698 0.971 -9.335 8.441 1.00 3.17 N ATOM 0 H LYS A 698 7.121 -6.798 5.974 1.00 0.56 H new ATOM 0 HA LYS A 698 4.883 -5.652 4.444 1.00 0.65 H new ATOM 0 HB2 LYS A 698 4.700 -7.974 4.949 1.00 1.04 H new ATOM 0 HB3 LYS A 698 5.213 -7.735 6.608 1.00 1.04 H new ATOM 0 HG2 LYS A 698 3.017 -6.145 6.601 1.00 1.91 H new ATOM 0 HG3 LYS A 698 2.543 -7.287 5.359 1.00 1.91 H new ATOM 0 HD2 LYS A 698 3.177 -9.155 6.972 1.00 2.12 H new ATOM 0 HD3 LYS A 698 3.385 -7.929 8.207 1.00 2.12 H new ATOM 0 HE2 LYS A 698 1.056 -7.260 8.044 1.00 2.62 H new ATOM 0 HE3 LYS A 698 0.810 -8.261 6.627 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 -0.056 -9.316 8.606 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 1.231 -10.229 7.978 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 1.469 -9.259 9.351 1.00 3.17 H new ATOM 359 N PHE A 699 4.496 -3.771 6.056 1.00 0.41 N ATOM 360 CA PHE A 699 4.254 -2.709 7.006 1.00 0.33 C ATOM 361 C PHE A 699 2.769 -2.541 7.216 1.00 0.32 C ATOM 362 O PHE A 699 1.989 -2.583 6.265 1.00 0.33 O ATOM 363 CB PHE A 699 4.854 -1.384 6.530 1.00 0.41 C ATOM 364 CG PHE A 699 5.134 -0.416 7.644 1.00 0.77 C ATOM 365 CD1 PHE A 699 4.187 0.517 8.024 1.00 1.08 C ATOM 366 CD2 PHE A 699 6.348 -0.442 8.309 1.00 1.27 C ATOM 367 CE1 PHE A 699 4.443 1.409 9.047 1.00 1.58 C ATOM 368 CE2 PHE A 699 6.611 0.448 9.334 1.00 1.76 C ATOM 369 CZ PHE A 699 5.656 1.375 9.702 1.00 1.84 C ATOM 0 H PHE A 699 4.212 -3.568 5.098 1.00 0.41 H new ATOM 0 HA PHE A 699 4.735 -2.983 7.945 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.781 -1.586 5.994 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.170 -0.920 5.820 1.00 0.41 H new ATOM 0 HD1 PHE A 699 3.235 0.549 7.515 1.00 1.08 H new ATOM 0 HD2 PHE A 699 7.098 -1.165 8.024 1.00 1.27 H new ATOM 0 HE1 PHE A 699 3.694 2.132 9.334 1.00 1.58 H new ATOM 0 HE2 PHE A 699 7.562 0.418 9.846 1.00 1.76 H new ATOM 0 HZ PHE A 699 5.859 2.072 10.501 1.00 1.84 H new ATOM 379 N LEU A 700 2.371 -2.377 8.455 1.00 0.32 N ATOM 380 CA LEU A 700 1.001 -2.060 8.743 1.00 0.31 C ATOM 381 C LEU A 700 0.864 -0.550 8.797 1.00 0.28 C ATOM 382 O LEU A 700 1.299 0.099 9.752 1.00 0.34 O ATOM 383 CB LEU A 700 0.590 -2.712 10.071 1.00 0.38 C ATOM 384 CG LEU A 700 -0.873 -2.538 10.488 1.00 0.49 C ATOM 385 CD1 LEU A 700 -1.305 -3.688 11.383 1.00 0.98 C ATOM 386 CD2 LEU A 700 -1.068 -1.217 11.219 1.00 0.73 C ATOM 0 H LEU A 700 2.975 -2.458 9.273 1.00 0.32 H new ATOM 0 HA LEU A 700 0.340 -2.448 7.968 1.00 0.31 H new ATOM 0 HB2 LEU A 700 0.803 -3.779 10.009 1.00 0.38 H new ATOM 0 HB3 LEU A 700 1.222 -2.306 10.861 1.00 0.38 H new ATOM 0 HG LEU A 700 -1.487 -2.535 9.587 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -2.347 -3.552 11.672 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -1.198 -4.629 10.843 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -0.680 -3.709 12.276 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -2.114 -1.112 11.507 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -0.442 -1.199 12.111 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -0.788 -0.393 10.563 1.00 0.73 H new ATOM 398 N VAL A 701 0.275 0.004 7.755 1.00 0.25 N ATOM 399 CA VAL A 701 -0.020 1.416 7.717 1.00 0.27 C ATOM 400 C VAL A 701 -1.501 1.631 7.968 1.00 0.24 C ATOM 401 O VAL A 701 -2.342 0.933 7.398 1.00 0.28 O ATOM 402 CB VAL A 701 0.333 2.069 6.364 1.00 0.35 C ATOM 403 CG1 VAL A 701 1.835 2.145 6.157 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.334 1.316 5.228 1.00 0.41 C ATOM 0 H VAL A 701 -0.009 -0.509 6.920 1.00 0.25 H new ATOM 0 HA VAL A 701 0.592 1.882 8.489 1.00 0.27 H new ATOM 0 HB VAL A 701 -0.045 3.091 6.374 1.00 0.35 H new ATOM 0 HG11 VAL A 701 2.047 2.610 5.194 1.00 0.36 H new ATOM 0 HG12 VAL A 701 2.282 2.740 6.953 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.256 1.140 6.174 1.00 0.36 H new ATOM 0 HG21 VAL A 701 -0.077 1.787 4.279 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.011 0.282 5.225 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.415 1.338 5.363 1.00 0.41 H new ATOM 414 N SER A 702 -1.848 2.555 8.829 1.00 0.26 N ATOM 415 CA SER A 702 -3.231 2.932 8.911 1.00 0.27 C ATOM 416 C SER A 702 -3.425 4.257 8.190 1.00 0.28 C ATOM 417 O SER A 702 -3.076 5.326 8.695 1.00 0.34 O ATOM 418 CB SER A 702 -3.658 3.003 10.375 1.00 0.34 C ATOM 419 OG SER A 702 -2.615 3.526 11.185 1.00 1.39 O ATOM 0 H SER A 702 -1.215 3.044 9.462 1.00 0.26 H new ATOM 0 HA SER A 702 -3.862 2.188 8.425 1.00 0.27 H new ATOM 0 HB2 SER A 702 -4.545 3.630 10.469 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.932 2.008 10.726 1.00 0.34 H new ATOM 0 HG SER A 702 -2.913 3.563 12.118 1.00 1.39 H new ATOM 425 N VAL A 703 -3.980 4.158 6.989 1.00 0.28 N ATOM 426 CA VAL A 703 -4.273 5.304 6.158 1.00 0.34 C ATOM 427 C VAL A 703 -5.413 4.982 5.229 1.00 0.36 C ATOM 428 O VAL A 703 -5.601 3.831 4.847 1.00 0.40 O ATOM 429 CB VAL A 703 -3.087 5.730 5.269 1.00 0.42 C ATOM 430 CG1 VAL A 703 -2.612 7.125 5.643 1.00 0.77 C ATOM 431 CG2 VAL A 703 -1.947 4.727 5.341 1.00 0.56 C ATOM 0 H VAL A 703 -4.240 3.267 6.566 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.511 6.116 6.845 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.435 5.752 4.236 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -1.775 7.408 5.005 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -3.427 7.835 5.508 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -2.293 7.133 6.685 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.129 5.060 4.702 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -1.595 4.649 6.370 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -2.298 3.752 5.003 1.00 0.56 H new ATOM 441 N SER A 704 -6.147 5.992 4.853 1.00 0.44 N ATOM 442 CA SER A 704 -6.988 5.910 3.693 1.00 0.48 C ATOM 443 C SER A 704 -6.798 7.167 2.911 1.00 0.66 C ATOM 444 O SER A 704 -6.530 8.227 3.481 1.00 0.82 O ATOM 445 CB SER A 704 -8.462 5.744 4.029 1.00 0.49 C ATOM 446 OG SER A 704 -9.132 5.219 2.901 1.00 1.19 O ATOM 0 H SER A 704 -6.179 6.889 5.338 1.00 0.44 H new ATOM 0 HA SER A 704 -6.701 5.024 3.126 1.00 0.48 H new ATOM 0 HB2 SER A 704 -8.581 5.077 4.883 1.00 0.49 H new ATOM 0 HB3 SER A 704 -8.895 6.704 4.312 1.00 0.49 H new ATOM 0 HG SER A 704 -9.347 5.946 2.281 1.00 1.19 H new ATOM 452 N LYS A 705 -6.889 7.031 1.616 1.00 0.87 N ATOM 453 CA LYS A 705 -6.864 8.164 0.744 1.00 1.08 C ATOM 454 C LYS A 705 -7.921 9.155 1.164 1.00 0.96 C ATOM 455 O LYS A 705 -9.108 8.838 1.204 1.00 1.22 O ATOM 456 CB LYS A 705 -7.112 7.717 -0.687 1.00 1.57 C ATOM 457 CG LYS A 705 -8.327 6.831 -0.864 1.00 2.47 C ATOM 458 CD LYS A 705 -9.107 7.222 -2.102 1.00 3.17 C ATOM 459 CE LYS A 705 -9.859 8.528 -1.904 1.00 3.91 C ATOM 460 NZ LYS A 705 -10.935 8.395 -0.887 1.00 4.66 N ATOM 0 H LYS A 705 -6.982 6.133 1.141 1.00 0.87 H new ATOM 0 HA LYS A 705 -5.886 8.641 0.803 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -7.227 8.600 -1.316 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -6.232 7.182 -1.045 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -8.014 5.790 -0.940 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -8.969 6.908 0.014 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -8.425 7.320 -2.946 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -9.813 6.430 -2.353 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -9.161 9.306 -1.596 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -10.292 8.846 -2.852 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -11.572 9.215 -0.946 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -11.475 7.524 -1.065 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -10.512 8.352 0.062 1.00 4.66 H new ATOM 474 N GLU A 706 -7.493 10.339 1.526 1.00 0.96 N ATOM 475 CA GLU A 706 -8.429 11.407 1.700 1.00 1.16 C ATOM 476 C GLU A 706 -8.862 11.819 0.306 1.00 1.49 C ATOM 477 O GLU A 706 -8.379 11.254 -0.678 1.00 1.84 O ATOM 478 CB GLU A 706 -7.816 12.570 2.480 1.00 1.55 C ATOM 479 CG GLU A 706 -8.839 13.351 3.286 1.00 1.85 C ATOM 480 CD GLU A 706 -8.202 14.388 4.184 1.00 2.27 C ATOM 481 OE1 GLU A 706 -7.852 14.046 5.332 1.00 2.69 O ATOM 482 OE2 GLU A 706 -8.055 15.551 3.752 1.00 2.79 O ATOM 0 H GLU A 706 -6.518 10.580 1.702 1.00 0.96 H new ATOM 0 HA GLU A 706 -9.287 11.088 2.291 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -7.050 12.185 3.153 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -7.319 13.245 1.783 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -9.534 13.843 2.605 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -9.423 12.659 3.893 1.00 1.85 H new ATOM 489 N ASN A 707 -9.749 12.773 0.196 1.00 1.81 N ATOM 490 CA ASN A 707 -10.316 13.129 -1.095 1.00 2.13 C ATOM 491 C ASN A 707 -9.256 13.683 -2.069 1.00 1.71 C ATOM 492 O ASN A 707 -9.592 14.100 -3.177 1.00 1.87 O ATOM 493 CB ASN A 707 -11.468 14.122 -0.901 1.00 2.79 C ATOM 494 CG ASN A 707 -12.426 14.152 -2.083 1.00 3.37 C ATOM 495 OD1 ASN A 707 -13.318 13.310 -2.194 1.00 3.87 O ATOM 496 ND2 ASN A 707 -12.281 15.144 -2.945 1.00 3.89 N ATOM 0 H ASN A 707 -10.100 13.323 0.980 1.00 1.81 H new ATOM 0 HA ASN A 707 -10.705 12.219 -1.552 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -12.020 13.859 0.002 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -11.059 15.120 -0.745 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -12.920 15.231 -3.735 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -11.530 15.823 -2.820 1.00 3.89 H new ATOM 503 N SER A 708 -7.974 13.680 -1.680 1.00 1.30 N ATOM 504 CA SER A 708 -6.956 14.293 -2.522 1.00 1.07 C ATOM 505 C SER A 708 -6.350 13.289 -3.504 1.00 0.94 C ATOM 506 O SER A 708 -6.454 13.457 -4.719 1.00 1.14 O ATOM 507 CB SER A 708 -5.830 14.814 -1.625 1.00 1.20 C ATOM 508 OG SER A 708 -6.353 15.581 -0.551 1.00 1.82 O ATOM 0 H SER A 708 -7.630 13.271 -0.811 1.00 1.30 H new ATOM 0 HA SER A 708 -7.427 15.095 -3.090 1.00 1.07 H new ATOM 0 HB2 SER A 708 -5.255 13.976 -1.232 1.00 1.20 H new ATOM 0 HB3 SER A 708 -5.144 15.424 -2.213 1.00 1.20 H new ATOM 0 HG SER A 708 -5.617 15.902 0.010 1.00 1.82 H new ATOM 514 N THR A 709 -5.724 12.248 -2.977 1.00 0.79 N ATOM 515 CA THR A 709 -5.239 11.154 -3.795 1.00 0.73 C ATOM 516 C THR A 709 -5.455 9.819 -3.088 1.00 0.64 C ATOM 517 O THR A 709 -5.587 9.787 -1.868 1.00 0.67 O ATOM 518 CB THR A 709 -3.752 11.344 -4.160 1.00 0.81 C ATOM 519 OG1 THR A 709 -3.316 10.283 -5.017 1.00 0.90 O ATOM 520 CG2 THR A 709 -2.874 11.401 -2.919 1.00 0.85 C ATOM 0 H THR A 709 -5.540 12.140 -1.979 1.00 0.79 H new ATOM 0 HA THR A 709 -5.811 11.150 -4.723 1.00 0.73 H new ATOM 0 HB THR A 709 -3.657 12.296 -4.683 1.00 0.81 H new ATOM 0 HG1 THR A 709 -2.372 10.413 -5.244 1.00 0.90 H new ATOM 0 HG21 THR A 709 -1.834 11.535 -3.215 1.00 0.85 H new ATOM 0 HG22 THR A 709 -3.184 12.237 -2.292 1.00 0.85 H new ATOM 0 HG23 THR A 709 -2.975 10.471 -2.359 1.00 0.85 H new ATOM 528 N ALA A 710 -5.447 8.726 -3.850 1.00 0.68 N ATOM 529 CA ALA A 710 -5.412 7.377 -3.302 1.00 0.65 C ATOM 530 C ALA A 710 -4.008 7.057 -2.806 1.00 0.48 C ATOM 531 O ALA A 710 -3.800 6.176 -1.976 1.00 0.46 O ATOM 532 CB ALA A 710 -5.850 6.370 -4.355 1.00 0.86 C ATOM 0 H ALA A 710 -5.465 8.755 -4.869 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.103 7.316 -2.461 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -5.819 5.366 -3.933 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -6.866 6.598 -4.676 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -5.178 6.424 -5.212 1.00 0.86 H new ATOM 538 N SER A 711 -3.059 7.813 -3.331 1.00 0.49 N ATOM 539 CA SER A 711 -1.637 7.588 -3.135 1.00 0.51 C ATOM 540 C SER A 711 -1.229 7.688 -1.674 1.00 0.43 C ATOM 541 O SER A 711 -0.278 7.044 -1.270 1.00 0.43 O ATOM 542 CB SER A 711 -0.821 8.563 -3.985 1.00 0.70 C ATOM 543 OG SER A 711 -1.107 8.385 -5.364 1.00 1.55 O ATOM 0 H SER A 711 -3.261 8.621 -3.920 1.00 0.49 H new ATOM 0 HA SER A 711 -1.427 6.568 -3.456 1.00 0.51 H new ATOM 0 HB2 SER A 711 -1.047 9.588 -3.691 1.00 0.70 H new ATOM 0 HB3 SER A 711 0.243 8.408 -3.806 1.00 0.70 H new ATOM 0 HG SER A 711 -0.577 9.018 -5.892 1.00 1.55 H new ATOM 549 N GLU A 712 -1.961 8.469 -0.881 1.00 0.43 N ATOM 550 CA GLU A 712 -1.572 8.749 0.496 1.00 0.46 C ATOM 551 C GLU A 712 -1.326 7.456 1.278 1.00 0.39 C ATOM 552 O GLU A 712 -0.477 7.410 2.172 1.00 0.42 O ATOM 553 CB GLU A 712 -2.665 9.556 1.211 1.00 0.56 C ATOM 554 CG GLU A 712 -2.998 10.910 0.589 1.00 0.67 C ATOM 555 CD GLU A 712 -3.850 11.745 1.520 1.00 1.19 C ATOM 556 OE1 GLU A 712 -3.417 12.852 1.900 1.00 1.54 O ATOM 557 OE2 GLU A 712 -4.945 11.278 1.901 1.00 1.78 O ATOM 0 H GLU A 712 -2.829 8.919 -1.172 1.00 0.43 H new ATOM 0 HA GLU A 712 -0.648 9.326 0.460 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.575 8.956 1.240 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -2.356 9.717 2.244 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -2.076 11.444 0.358 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -3.524 10.761 -0.354 1.00 0.67 H new ATOM 564 N VAL A 713 -2.065 6.407 0.947 1.00 0.34 N ATOM 565 CA VAL A 713 -1.866 5.126 1.591 1.00 0.33 C ATOM 566 C VAL A 713 -0.549 4.482 1.153 1.00 0.29 C ATOM 567 O VAL A 713 0.216 4.000 1.983 1.00 0.29 O ATOM 568 CB VAL A 713 -3.053 4.177 1.345 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.315 4.817 1.868 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.213 3.822 -0.124 1.00 0.40 C ATOM 0 H VAL A 713 -2.801 6.421 0.241 1.00 0.34 H new ATOM 0 HA VAL A 713 -1.808 5.309 2.664 1.00 0.33 H new ATOM 0 HB VAL A 713 -2.856 3.246 1.876 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.159 4.149 1.697 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.212 5.005 2.937 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.487 5.760 1.349 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -4.063 3.151 -0.246 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.383 4.731 -0.702 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.308 3.329 -0.480 1.00 0.40 H new ATOM 580 N LEU A 714 -0.285 4.492 -0.149 1.00 0.33 N ATOM 581 CA LEU A 714 0.953 3.947 -0.692 1.00 0.37 C ATOM 582 C LEU A 714 2.134 4.820 -0.263 1.00 0.34 C ATOM 583 O LEU A 714 3.237 4.320 -0.044 1.00 0.37 O ATOM 584 CB LEU A 714 0.863 3.803 -2.219 1.00 0.46 C ATOM 585 CG LEU A 714 1.267 5.018 -3.041 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.730 4.925 -3.412 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.405 5.121 -4.282 1.00 0.84 C ATOM 0 H LEU A 714 -0.917 4.875 -0.852 1.00 0.33 H new ATOM 0 HA LEU A 714 1.113 2.946 -0.291 1.00 0.37 H new ATOM 0 HB2 LEU A 714 1.490 2.964 -2.520 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.163 3.543 -2.477 1.00 0.46 H new ATOM 0 HG LEU A 714 1.116 5.918 -2.445 1.00 0.45 H new ATOM 0 HD11 LEU A 714 3.012 5.798 -4.000 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.334 4.888 -2.505 1.00 0.64 H new ATOM 0 HD13 LEU A 714 2.900 4.022 -3.998 1.00 0.64 H new ATOM 0 HD21 LEU A 714 0.704 5.994 -4.861 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.530 4.223 -4.888 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.641 5.219 -3.991 1.00 0.84 H new ATOM 599 N ASP A 715 1.884 6.131 -0.151 1.00 0.32 N ATOM 600 CA ASP A 715 2.876 7.081 0.347 1.00 0.34 C ATOM 601 C ASP A 715 3.357 6.660 1.721 1.00 0.32 C ATOM 602 O ASP A 715 4.516 6.861 2.080 1.00 0.36 O ATOM 603 CB ASP A 715 2.272 8.486 0.442 1.00 0.40 C ATOM 604 CG ASP A 715 2.459 9.313 -0.814 1.00 0.99 C ATOM 605 OD1 ASP A 715 1.742 9.079 -1.807 1.00 1.94 O ATOM 606 OD2 ASP A 715 3.306 10.234 -0.797 1.00 1.37 O ATOM 0 H ASP A 715 0.992 6.557 -0.403 1.00 0.32 H new ATOM 0 HA ASP A 715 3.714 7.093 -0.349 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.207 8.401 0.655 1.00 0.40 H new ATOM 0 HB3 ASP A 715 2.725 9.011 1.283 1.00 0.40 H new ATOM 611 N SER A 716 2.451 6.079 2.493 1.00 0.28 N ATOM 612 CA SER A 716 2.788 5.532 3.786 1.00 0.28 C ATOM 613 C SER A 716 3.749 4.349 3.649 1.00 0.30 C ATOM 614 O SER A 716 4.688 4.199 4.431 1.00 0.33 O ATOM 615 CB SER A 716 1.508 5.112 4.487 1.00 0.29 C ATOM 616 OG SER A 716 0.749 6.248 4.881 1.00 0.41 O ATOM 0 H SER A 716 1.469 5.977 2.237 1.00 0.28 H new ATOM 0 HA SER A 716 3.296 6.292 4.379 1.00 0.28 H new ATOM 0 HB2 SER A 716 0.914 4.485 3.822 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.749 4.509 5.363 1.00 0.29 H new ATOM 0 HG SER A 716 0.342 6.659 4.090 1.00 0.41 H new ATOM 622 N LEU A 717 3.513 3.523 2.641 1.00 0.32 N ATOM 623 CA LEU A 717 4.298 2.307 2.441 1.00 0.39 C ATOM 624 C LEU A 717 5.713 2.667 2.002 1.00 0.37 C ATOM 625 O LEU A 717 6.695 2.211 2.586 1.00 0.43 O ATOM 626 CB LEU A 717 3.670 1.406 1.371 1.00 0.52 C ATOM 627 CG LEU A 717 2.151 1.493 1.229 1.00 0.75 C ATOM 628 CD1 LEU A 717 1.671 0.639 0.078 1.00 1.42 C ATOM 629 CD2 LEU A 717 1.482 1.076 2.515 1.00 1.42 C ATOM 0 H LEU A 717 2.782 3.670 1.945 1.00 0.32 H new ATOM 0 HA LEU A 717 4.319 1.770 3.389 1.00 0.39 H new ATOM 0 HB2 LEU A 717 4.120 1.651 0.409 1.00 0.52 H new ATOM 0 HB3 LEU A 717 3.936 0.372 1.593 1.00 0.52 H new ATOM 0 HG LEU A 717 1.883 2.528 1.017 1.00 0.75 H new ATOM 0 HD11 LEU A 717 0.587 0.716 -0.005 1.00 1.42 H new ATOM 0 HD12 LEU A 717 2.131 0.984 -0.848 1.00 1.42 H new ATOM 0 HD13 LEU A 717 1.949 -0.400 0.255 1.00 1.42 H new ATOM 0 HD21 LEU A 717 0.400 1.143 2.400 1.00 1.42 H new ATOM 0 HD22 LEU A 717 1.759 0.049 2.753 1.00 1.42 H new ATOM 0 HD23 LEU A 717 1.803 1.735 3.322 1.00 1.42 H new ATOM 641 N SER A 718 5.804 3.477 0.946 1.00 0.33 N ATOM 642 CA SER A 718 7.084 3.925 0.419 1.00 0.38 C ATOM 643 C SER A 718 7.934 4.649 1.466 1.00 0.30 C ATOM 644 O SER A 718 9.132 4.398 1.572 1.00 0.31 O ATOM 645 CB SER A 718 6.849 4.835 -0.779 1.00 0.50 C ATOM 646 OG SER A 718 5.946 5.875 -0.449 1.00 1.52 O ATOM 0 H SER A 718 4.996 3.836 0.438 1.00 0.33 H new ATOM 0 HA SER A 718 7.641 3.038 0.117 1.00 0.38 H new ATOM 0 HB2 SER A 718 7.796 5.261 -1.110 1.00 0.50 H new ATOM 0 HB3 SER A 718 6.453 4.253 -1.611 1.00 0.50 H new ATOM 0 HG SER A 718 6.352 6.741 -0.662 1.00 1.52 H new ATOM 652 N GLN A 719 7.332 5.546 2.238 1.00 0.29 N ATOM 653 CA GLN A 719 8.088 6.306 3.231 1.00 0.31 C ATOM 654 C GLN A 719 8.585 5.385 4.343 1.00 0.35 C ATOM 655 O GLN A 719 9.627 5.631 4.951 1.00 0.41 O ATOM 656 CB GLN A 719 7.256 7.448 3.799 1.00 0.37 C ATOM 657 CG GLN A 719 6.192 6.988 4.765 1.00 0.39 C ATOM 658 CD GLN A 719 5.378 8.133 5.326 1.00 0.48 C ATOM 659 OE1 GLN A 719 5.713 8.697 6.367 1.00 1.10 O ATOM 660 NE2 GLN A 719 4.313 8.495 4.631 1.00 1.35 N ATOM 0 H GLN A 719 6.336 5.764 2.199 1.00 0.29 H new ATOM 0 HA GLN A 719 8.955 6.744 2.736 1.00 0.31 H new ATOM 0 HB2 GLN A 719 7.916 8.153 4.305 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.783 7.987 2.978 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.527 6.288 4.260 1.00 0.39 H new ATOM 0 HG3 GLN A 719 6.662 6.446 5.585 1.00 0.39 H new ATOM 0 HE21 GLN A 719 4.072 8.000 3.773 1.00 1.35 H new ATOM 0 HE22 GLN A 719 3.733 9.270 4.953 1.00 1.35 H new ATOM 669 N SER A 720 7.828 4.325 4.601 1.00 0.35 N ATOM 670 CA SER A 720 8.266 3.260 5.490 1.00 0.45 C ATOM 671 C SER A 720 9.546 2.613 4.967 1.00 0.49 C ATOM 672 O SER A 720 10.358 2.093 5.735 1.00 0.60 O ATOM 673 CB SER A 720 7.158 2.217 5.599 1.00 0.50 C ATOM 674 OG SER A 720 6.035 2.736 6.290 1.00 0.51 O ATOM 0 H SER A 720 6.900 4.181 4.202 1.00 0.35 H new ATOM 0 HA SER A 720 8.477 3.679 6.474 1.00 0.45 H new ATOM 0 HB2 SER A 720 6.858 1.895 4.602 1.00 0.50 H new ATOM 0 HB3 SER A 720 7.534 1.336 6.119 1.00 0.50 H new ATOM 0 HG SER A 720 5.464 3.227 5.663 1.00 0.51 H new ATOM 680 N VAL A 721 9.711 2.672 3.655 1.00 0.45 N ATOM 681 CA VAL A 721 10.870 2.115 2.976 1.00 0.54 C ATOM 682 C VAL A 721 11.972 3.171 2.831 1.00 0.53 C ATOM 683 O VAL A 721 13.103 2.871 2.436 1.00 0.67 O ATOM 684 CB VAL A 721 10.446 1.565 1.588 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.634 1.188 0.729 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.529 0.377 1.759 1.00 0.70 C ATOM 0 H VAL A 721 9.039 3.111 3.026 1.00 0.45 H new ATOM 0 HA VAL A 721 11.271 1.296 3.572 1.00 0.54 H new ATOM 0 HB VAL A 721 9.916 2.365 1.071 1.00 0.58 H new ATOM 0 HG11 VAL A 721 11.283 0.809 -0.231 1.00 0.65 H new ATOM 0 HG12 VAL A 721 12.259 2.066 0.566 1.00 0.65 H new ATOM 0 HG13 VAL A 721 12.217 0.417 1.232 1.00 0.65 H new ATOM 0 HG21 VAL A 721 9.237 -0.001 0.779 1.00 0.70 H new ATOM 0 HG22 VAL A 721 10.048 -0.407 2.311 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.639 0.681 2.310 1.00 0.70 H new ATOM 696 N HIS A 722 11.639 4.404 3.220 1.00 0.44 N ATOM 697 CA HIS A 722 12.544 5.547 3.070 1.00 0.50 C ATOM 698 C HIS A 722 12.800 5.816 1.598 1.00 0.47 C ATOM 699 O HIS A 722 13.925 6.055 1.166 1.00 0.60 O ATOM 700 CB HIS A 722 13.862 5.304 3.806 1.00 0.69 C ATOM 701 CG HIS A 722 13.731 5.375 5.293 1.00 1.37 C ATOM 702 ND1 HIS A 722 13.679 4.261 6.104 1.00 2.03 N ATOM 703 CD2 HIS A 722 13.635 6.443 6.118 1.00 2.30 C ATOM 704 CE1 HIS A 722 13.554 4.641 7.361 1.00 2.74 C ATOM 705 NE2 HIS A 722 13.525 5.961 7.399 1.00 2.91 N ATOM 0 H HIS A 722 10.742 4.638 3.645 1.00 0.44 H new ATOM 0 HA HIS A 722 12.069 6.422 3.513 1.00 0.50 H new ATOM 0 HB2 HIS A 722 14.249 4.324 3.529 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.595 6.041 3.477 1.00 0.69 H new ATOM 0 HD2 HIS A 722 13.643 7.482 5.824 1.00 2.30 H new ATOM 0 HE1 HIS A 722 13.487 3.984 8.215 1.00 2.74 H new ATOM 0 HE2 HIS A 722 13.436 6.529 8.242 1.00 2.91 H new ATOM 714 N VAL A 723 11.730 5.738 0.838 1.00 0.36 N ATOM 715 CA VAL A 723 11.766 5.982 -0.589 1.00 0.39 C ATOM 716 C VAL A 723 10.525 6.756 -1.027 1.00 0.36 C ATOM 717 O VAL A 723 9.499 6.735 -0.345 1.00 0.34 O ATOM 718 CB VAL A 723 11.841 4.660 -1.372 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.567 3.859 -1.182 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.115 4.919 -2.842 1.00 0.62 C ATOM 0 H VAL A 723 10.804 5.502 1.194 1.00 0.36 H new ATOM 0 HA VAL A 723 12.658 6.571 -0.803 1.00 0.39 H new ATOM 0 HB VAL A 723 12.671 4.072 -0.980 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.636 2.927 -1.742 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.431 3.637 -0.124 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.716 4.437 -1.543 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.164 3.970 -3.376 1.00 0.62 H new ATOM 0 HG22 VAL A 723 11.314 5.529 -3.259 1.00 0.62 H new ATOM 0 HG23 VAL A 723 13.064 5.444 -2.948 1.00 0.62 H new ATOM 730 N LYS A 724 10.639 7.465 -2.139 1.00 0.45 N ATOM 731 CA LYS A 724 9.493 8.115 -2.756 1.00 0.52 C ATOM 732 C LYS A 724 8.440 7.072 -3.141 1.00 0.44 C ATOM 733 O LYS A 724 8.768 5.907 -3.375 1.00 0.37 O ATOM 734 CB LYS A 724 9.925 8.898 -4.006 1.00 0.67 C ATOM 735 CG LYS A 724 10.656 10.205 -3.719 1.00 1.41 C ATOM 736 CD LYS A 724 12.067 9.990 -3.183 1.00 1.48 C ATOM 737 CE LYS A 724 12.937 9.234 -4.174 1.00 0.91 C ATOM 738 NZ LYS A 724 14.378 9.271 -3.798 1.00 1.46 N ATOM 0 H LYS A 724 11.519 7.606 -2.635 1.00 0.45 H new ATOM 0 HA LYS A 724 9.064 8.811 -2.035 1.00 0.52 H new ATOM 0 HB2 LYS A 724 10.571 8.262 -4.611 1.00 0.67 H new ATOM 0 HB3 LYS A 724 9.041 9.116 -4.605 1.00 0.67 H new ATOM 0 HG2 LYS A 724 10.706 10.796 -4.634 1.00 1.41 H new ATOM 0 HG3 LYS A 724 10.083 10.785 -2.996 1.00 1.41 H new ATOM 0 HD2 LYS A 724 12.523 10.955 -2.961 1.00 1.48 H new ATOM 0 HD3 LYS A 724 12.019 9.437 -2.245 1.00 1.48 H new ATOM 0 HE2 LYS A 724 12.604 8.198 -4.231 1.00 0.91 H new ATOM 0 HE3 LYS A 724 12.811 9.664 -5.168 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 14.962 9.243 -4.658 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 14.577 10.146 -3.273 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 14.602 8.450 -3.200 1.00 1.46 H new ATOM 752 N PRO A 725 7.159 7.503 -3.189 1.00 0.52 N ATOM 753 CA PRO A 725 5.969 6.647 -3.392 1.00 0.54 C ATOM 754 C PRO A 725 6.122 5.549 -4.446 1.00 0.49 C ATOM 755 O PRO A 725 5.488 4.501 -4.351 1.00 0.54 O ATOM 756 CB PRO A 725 4.875 7.641 -3.827 1.00 0.68 C ATOM 757 CG PRO A 725 5.537 8.979 -3.913 1.00 0.83 C ATOM 758 CD PRO A 725 6.745 8.902 -3.030 1.00 0.67 C ATOM 0 HA PRO A 725 5.756 6.093 -2.478 1.00 0.54 H new ATOM 0 HB2 PRO A 725 4.449 7.355 -4.789 1.00 0.68 H new ATOM 0 HB3 PRO A 725 4.056 7.657 -3.108 1.00 0.68 H new ATOM 0 HG2 PRO A 725 5.819 9.209 -4.940 1.00 0.83 H new ATOM 0 HG3 PRO A 725 4.863 9.769 -3.583 1.00 0.83 H new ATOM 0 HD2 PRO A 725 7.525 9.595 -3.346 1.00 0.67 H new ATOM 0 HD3 PRO A 725 6.507 9.141 -1.993 1.00 0.67 H new ATOM 766 N GLU A 726 6.983 5.783 -5.421 1.00 0.44 N ATOM 767 CA GLU A 726 7.065 4.964 -6.622 1.00 0.48 C ATOM 768 C GLU A 726 7.408 3.511 -6.345 1.00 0.51 C ATOM 769 O GLU A 726 7.257 2.664 -7.219 1.00 0.62 O ATOM 770 CB GLU A 726 8.135 5.528 -7.536 1.00 0.45 C ATOM 771 CG GLU A 726 8.135 7.032 -7.592 1.00 0.67 C ATOM 772 CD GLU A 726 6.871 7.585 -8.215 1.00 1.53 C ATOM 773 OE1 GLU A 726 6.078 8.224 -7.498 1.00 2.38 O ATOM 774 OE2 GLU A 726 6.666 7.375 -9.429 1.00 1.89 O ATOM 0 H GLU A 726 7.652 6.553 -5.403 1.00 0.44 H new ATOM 0 HA GLU A 726 6.076 4.989 -7.079 1.00 0.48 H new ATOM 0 HB2 GLU A 726 9.112 5.184 -7.197 1.00 0.45 H new ATOM 0 HB3 GLU A 726 7.990 5.133 -8.542 1.00 0.45 H new ATOM 0 HG2 GLU A 726 8.244 7.431 -6.583 1.00 0.67 H new ATOM 0 HG3 GLU A 726 8.998 7.372 -8.165 1.00 0.67 H new ATOM 781 N ASN A 727 7.814 3.215 -5.133 1.00 0.45 N ATOM 782 CA ASN A 727 8.331 1.888 -4.827 1.00 0.48 C ATOM 783 C ASN A 727 7.224 0.880 -4.565 1.00 0.48 C ATOM 784 O ASN A 727 7.480 -0.334 -4.586 1.00 0.52 O ATOM 785 CB ASN A 727 9.243 1.944 -3.606 1.00 0.51 C ATOM 786 CG ASN A 727 10.711 1.932 -3.976 1.00 1.11 C ATOM 787 OD1 ASN A 727 11.095 2.386 -5.050 1.00 1.74 O ATOM 788 ND2 ASN A 727 11.545 1.422 -3.081 1.00 1.84 N ATOM 0 H ASN A 727 7.800 3.863 -4.345 1.00 0.45 H new ATOM 0 HA ASN A 727 8.889 1.561 -5.704 1.00 0.48 H new ATOM 0 HB2 ASN A 727 9.023 2.845 -3.034 1.00 0.51 H new ATOM 0 HB3 ASN A 727 9.028 1.095 -2.957 1.00 0.51 H new ATOM 0 HD21 ASN A 727 12.546 1.397 -3.273 1.00 1.84 H new ATOM 0 HD22 ASN A 727 11.185 1.055 -2.200 1.00 1.84 H new ATOM 795 N LEU A 728 6.000 1.358 -4.332 1.00 0.48 N ATOM 796 CA LEU A 728 4.893 0.452 -4.069 1.00 0.47 C ATOM 797 C LEU A 728 3.575 0.893 -4.685 1.00 0.47 C ATOM 798 O LEU A 728 3.131 2.009 -4.466 1.00 0.63 O ATOM 799 CB LEU A 728 4.755 0.405 -2.566 1.00 0.70 C ATOM 800 CG LEU A 728 5.811 -0.458 -1.920 1.00 1.26 C ATOM 801 CD1 LEU A 728 6.107 -0.009 -0.506 1.00 1.83 C ATOM 802 CD2 LEU A 728 5.345 -1.881 -1.963 1.00 1.87 C ATOM 0 H LEU A 728 5.758 2.349 -4.321 1.00 0.48 H new ATOM 0 HA LEU A 728 5.110 -0.517 -4.519 1.00 0.47 H new ATOM 0 HB2 LEU A 728 4.821 1.417 -2.166 1.00 0.70 H new ATOM 0 HB3 LEU A 728 3.768 0.023 -2.306 1.00 0.70 H new ATOM 0 HG LEU A 728 6.748 -0.365 -2.469 1.00 1.26 H new ATOM 0 HD11 LEU A 728 6.872 -0.653 -0.072 1.00 1.83 H new ATOM 0 HD12 LEU A 728 6.464 1.021 -0.518 1.00 1.83 H new ATOM 0 HD13 LEU A 728 5.198 -0.071 0.093 1.00 1.83 H new ATOM 0 HD21 LEU A 728 6.094 -2.523 -1.501 1.00 1.87 H new ATOM 0 HD22 LEU A 728 4.404 -1.972 -1.420 1.00 1.87 H new ATOM 0 HD23 LEU A 728 5.197 -2.184 -2.999 1.00 1.87 H new ATOM 814 N ARG A 729 2.952 0.010 -5.471 1.00 0.36 N ATOM 815 CA ARG A 729 1.518 0.101 -5.729 1.00 0.41 C ATOM 816 C ARG A 729 0.941 -1.283 -6.094 1.00 0.32 C ATOM 817 O ARG A 729 1.299 -1.869 -7.106 1.00 0.34 O ATOM 818 CB ARG A 729 1.238 1.141 -6.835 1.00 0.56 C ATOM 819 CG ARG A 729 1.513 0.674 -8.266 1.00 0.70 C ATOM 820 CD ARG A 729 2.954 0.216 -8.483 1.00 0.54 C ATOM 821 NE ARG A 729 3.914 1.320 -8.400 1.00 1.21 N ATOM 822 CZ ARG A 729 4.449 1.917 -9.468 1.00 1.75 C ATOM 823 NH1 ARG A 729 4.046 1.584 -10.690 1.00 2.18 N ATOM 824 NH2 ARG A 729 5.376 2.854 -9.315 1.00 2.58 N ATOM 0 H ARG A 729 3.417 -0.770 -5.935 1.00 0.36 H new ATOM 0 HA ARG A 729 1.018 0.435 -4.820 1.00 0.41 H new ATOM 0 HB2 ARG A 729 0.194 1.446 -6.766 1.00 0.56 H new ATOM 0 HB3 ARG A 729 1.843 2.026 -6.638 1.00 0.56 H new ATOM 0 HG2 ARG A 729 0.837 -0.146 -8.510 1.00 0.70 H new ATOM 0 HG3 ARG A 729 1.289 1.487 -8.956 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.208 -0.538 -7.738 1.00 0.54 H new ATOM 0 HD3 ARG A 729 3.037 -0.260 -9.460 1.00 0.54 H new ATOM 0 HE ARG A 729 4.189 1.651 -7.475 1.00 1.21 H new ATOM 0 HH11 ARG A 729 3.327 0.871 -10.813 1.00 2.18 H new ATOM 0 HH12 ARG A 729 4.456 2.041 -11.504 1.00 2.18 H new ATOM 0 HH21 ARG A 729 5.682 3.120 -8.379 1.00 2.58 H new ATOM 0 HH22 ARG A 729 5.782 3.308 -10.133 1.00 2.58 H new ATOM 838 N LEU A 730 0.119 -1.849 -5.234 1.00 0.32 N ATOM 839 CA LEU A 730 -0.751 -2.962 -5.603 1.00 0.34 C ATOM 840 C LEU A 730 -1.921 -2.993 -4.657 1.00 0.42 C ATOM 841 O LEU A 730 -1.664 -3.170 -3.485 1.00 0.73 O ATOM 842 CB LEU A 730 -0.030 -4.295 -5.499 1.00 0.37 C ATOM 843 CG LEU A 730 -0.814 -5.461 -6.088 1.00 0.53 C ATOM 844 CD1 LEU A 730 -0.886 -5.342 -7.603 1.00 1.23 C ATOM 845 CD2 LEU A 730 -0.208 -6.789 -5.679 1.00 1.22 C ATOM 0 H LEU A 730 0.031 -1.556 -4.261 1.00 0.32 H new ATOM 0 HA LEU A 730 -1.069 -2.814 -6.635 1.00 0.34 H new ATOM 0 HB2 LEU A 730 0.930 -4.220 -6.009 1.00 0.37 H new ATOM 0 HB3 LEU A 730 0.181 -4.503 -4.450 1.00 0.37 H new ATOM 0 HG LEU A 730 -1.828 -5.423 -5.691 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -1.449 -6.183 -8.008 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.383 -4.410 -7.872 1.00 1.23 H new ATOM 0 HD13 LEU A 730 0.122 -5.348 -8.017 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.788 -7.603 -6.114 1.00 1.22 H new ATOM 0 HD22 LEU A 730 0.820 -6.845 -6.036 1.00 1.22 H new ATOM 0 HD23 LEU A 730 -0.220 -6.875 -4.592 1.00 1.22 H new ATOM 857 N ALA A 731 -3.172 -2.892 -5.081 1.00 0.34 N ATOM 858 CA ALA A 731 -4.217 -3.025 -4.097 1.00 0.37 C ATOM 859 C ALA A 731 -5.145 -4.187 -4.403 1.00 0.37 C ATOM 860 O ALA A 731 -5.887 -4.156 -5.378 1.00 0.50 O ATOM 861 CB ALA A 731 -5.016 -1.731 -4.016 1.00 0.46 C ATOM 0 H ALA A 731 -3.471 -2.728 -6.042 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.742 -3.229 -3.137 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -5.805 -1.836 -3.271 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.355 -0.912 -3.731 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.461 -1.517 -4.988 1.00 0.46 H new ATOM 867 N GLU A 732 -5.198 -5.171 -3.520 1.00 0.39 N ATOM 868 CA GLU A 732 -6.170 -6.221 -3.682 1.00 0.46 C ATOM 869 C GLU A 732 -7.151 -6.260 -2.529 1.00 0.57 C ATOM 870 O GLU A 732 -6.788 -6.511 -1.390 1.00 0.66 O ATOM 871 CB GLU A 732 -5.464 -7.570 -3.851 1.00 0.66 C ATOM 872 CG GLU A 732 -4.652 -8.035 -2.653 1.00 0.76 C ATOM 873 CD GLU A 732 -3.929 -9.339 -2.926 1.00 0.78 C ATOM 874 OE1 GLU A 732 -2.794 -9.296 -3.442 1.00 1.02 O ATOM 875 OE2 GLU A 732 -4.495 -10.418 -2.642 1.00 1.19 O ATOM 0 H GLU A 732 -4.592 -5.259 -2.704 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.746 -6.012 -4.583 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -6.214 -8.328 -4.076 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -4.803 -7.509 -4.715 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -3.926 -7.267 -2.388 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -5.312 -8.160 -1.795 1.00 0.76 H new ATOM 882 N VAL A 733 -8.417 -6.093 -2.861 1.00 0.69 N ATOM 883 CA VAL A 733 -9.470 -6.060 -1.865 1.00 0.90 C ATOM 884 C VAL A 733 -10.155 -7.415 -1.815 1.00 1.17 C ATOM 885 O VAL A 733 -10.665 -7.882 -2.826 1.00 1.35 O ATOM 886 CB VAL A 733 -10.519 -4.956 -2.172 1.00 1.19 C ATOM 887 CG1 VAL A 733 -9.942 -3.575 -1.954 1.00 1.64 C ATOM 888 CG2 VAL A 733 -11.032 -5.058 -3.593 1.00 1.64 C ATOM 0 H VAL A 733 -8.742 -5.977 -3.821 1.00 0.69 H new ATOM 0 HA VAL A 733 -9.017 -5.829 -0.901 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.349 -5.112 -1.482 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -10.700 -2.824 -2.177 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -9.625 -3.473 -0.916 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -9.085 -3.431 -2.611 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -11.764 -4.271 -3.773 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -10.200 -4.947 -4.289 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -11.501 -6.030 -3.741 1.00 1.64 H new ATOM 898 N ILE A 734 -10.164 -8.059 -0.660 1.00 1.30 N ATOM 899 CA ILE A 734 -10.754 -9.384 -0.576 1.00 1.65 C ATOM 900 C ILE A 734 -12.024 -9.384 0.258 1.00 1.93 C ATOM 901 O ILE A 734 -12.007 -9.054 1.444 1.00 2.17 O ATOM 902 CB ILE A 734 -9.749 -10.421 -0.031 1.00 1.81 C ATOM 903 CG1 ILE A 734 -9.056 -9.892 1.232 1.00 1.91 C ATOM 904 CG2 ILE A 734 -8.726 -10.778 -1.103 1.00 2.43 C ATOM 905 CD1 ILE A 734 -8.048 -10.854 1.823 1.00 2.42 C ATOM 0 H ILE A 734 -9.780 -7.697 0.213 1.00 1.30 H new ATOM 0 HA ILE A 734 -11.021 -9.673 -1.593 1.00 1.65 H new ATOM 0 HB ILE A 734 -10.294 -11.325 0.239 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -8.554 -8.954 0.994 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -9.813 -9.666 1.983 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -8.023 -11.510 -0.706 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -9.238 -11.199 -1.969 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -8.185 -9.881 -1.402 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -7.600 -10.411 2.712 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -8.548 -11.784 2.094 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -7.269 -11.061 1.089 1.00 2.42 H new ATOM 917 N LYS A 735 -13.114 -9.758 -0.417 1.00 2.29 N ATOM 918 CA LYS A 735 -14.469 -9.791 0.126 1.00 2.61 C ATOM 919 C LYS A 735 -15.427 -9.692 -1.051 1.00 2.77 C ATOM 920 O LYS A 735 -15.072 -10.079 -2.166 1.00 2.76 O ATOM 921 CB LYS A 735 -14.733 -8.652 1.122 1.00 2.76 C ATOM 922 CG LYS A 735 -15.478 -9.092 2.379 1.00 3.27 C ATOM 923 CD LYS A 735 -14.579 -9.843 3.368 1.00 3.69 C ATOM 924 CE LYS A 735 -14.038 -11.153 2.795 1.00 3.70 C ATOM 925 NZ LYS A 735 -13.333 -11.965 3.816 1.00 4.16 N ATOM 0 H LYS A 735 -13.073 -10.056 -1.392 1.00 2.29 H new ATOM 0 HA LYS A 735 -14.610 -10.718 0.682 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -13.781 -8.208 1.412 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -15.309 -7.873 0.624 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -15.900 -8.216 2.871 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -16.314 -9.732 2.096 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -13.744 -9.203 3.652 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -15.142 -10.054 4.277 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -14.862 -11.733 2.379 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -13.356 -10.933 1.974 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -12.984 -12.843 3.381 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -12.530 -11.424 4.196 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -13.990 -12.198 4.588 1.00 4.16 H new ATOM 939 N ASN A 736 -16.623 -9.159 -0.821 1.00 3.04 N ATOM 940 CA ASN A 736 -17.537 -8.815 -1.916 1.00 3.32 C ATOM 941 C ASN A 736 -16.860 -7.827 -2.875 1.00 3.14 C ATOM 942 O ASN A 736 -17.331 -7.588 -3.987 1.00 3.36 O ATOM 943 CB ASN A 736 -18.822 -8.191 -1.365 1.00 3.66 C ATOM 944 CG ASN A 736 -19.534 -9.089 -0.372 1.00 4.18 C ATOM 945 OD1 ASN A 736 -19.280 -9.028 0.832 1.00 4.64 O ATOM 946 ND2 ASN A 736 -20.428 -9.929 -0.865 1.00 4.60 N ATOM 0 H ASN A 736 -16.986 -8.954 0.110 1.00 3.04 H new ATOM 0 HA ASN A 736 -17.789 -9.729 -2.454 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -18.582 -7.243 -0.883 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -19.495 -7.967 -2.192 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -20.936 -10.557 -0.242 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -20.610 -9.949 -1.868 1.00 4.60 H new ATOM 953 N ARG A 737 -15.758 -7.249 -2.403 1.00 2.79 N ATOM 954 CA ARG A 737 -14.939 -6.310 -3.164 1.00 2.61 C ATOM 955 C ARG A 737 -14.314 -7.000 -4.384 1.00 2.47 C ATOM 956 O ARG A 737 -14.735 -6.791 -5.521 1.00 3.05 O ATOM 957 CB ARG A 737 -13.813 -5.795 -2.260 1.00 2.49 C ATOM 958 CG ARG A 737 -14.227 -5.577 -0.814 1.00 2.59 C ATOM 959 CD ARG A 737 -15.191 -4.411 -0.659 1.00 3.00 C ATOM 960 NE ARG A 737 -15.733 -4.332 0.697 1.00 3.54 N ATOM 961 CZ ARG A 737 -16.322 -3.253 1.208 1.00 4.23 C ATOM 962 NH1 ARG A 737 -16.471 -2.159 0.471 1.00 4.51 N ATOM 963 NH2 ARG A 737 -16.770 -3.274 2.459 1.00 4.95 N ATOM 0 H ARG A 737 -15.403 -7.424 -1.463 1.00 2.79 H new ATOM 0 HA ARG A 737 -15.569 -5.489 -3.507 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -12.987 -6.506 -2.287 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -13.438 -4.855 -2.665 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -14.694 -6.485 -0.431 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -13.340 -5.395 -0.208 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -14.678 -3.480 -0.900 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -16.009 -4.518 -1.372 1.00 3.00 H new ATOM 0 HE ARG A 737 -15.655 -5.158 1.290 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -16.134 -2.143 -0.491 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -16.923 -1.335 0.867 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -16.662 -4.115 3.025 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -17.222 -2.449 2.853 1.00 4.95 H new ATOM 977 N PHE A 738 -13.293 -7.810 -4.104 1.00 2.24 N ATOM 978 CA PHE A 738 -12.579 -8.616 -5.100 1.00 2.27 C ATOM 979 C PHE A 738 -11.900 -7.765 -6.178 1.00 2.12 C ATOM 980 O PHE A 738 -12.424 -7.571 -7.275 1.00 2.16 O ATOM 981 CB PHE A 738 -13.499 -9.657 -5.734 1.00 2.70 C ATOM 982 CG PHE A 738 -12.755 -10.867 -6.227 1.00 3.11 C ATOM 983 CD1 PHE A 738 -12.427 -11.006 -7.565 1.00 3.38 C ATOM 984 CD2 PHE A 738 -12.378 -11.864 -5.342 1.00 3.68 C ATOM 985 CE1 PHE A 738 -11.739 -12.118 -8.013 1.00 4.26 C ATOM 986 CE2 PHE A 738 -11.690 -12.978 -5.785 1.00 4.52 C ATOM 987 CZ PHE A 738 -11.371 -13.105 -7.121 1.00 4.83 C ATOM 0 H PHE A 738 -12.930 -7.928 -3.158 1.00 2.24 H new ATOM 0 HA PHE A 738 -11.787 -9.135 -4.561 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -14.246 -9.968 -5.004 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -14.036 -9.202 -6.566 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -12.712 -10.236 -8.267 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -12.624 -11.770 -4.295 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -11.490 -12.214 -9.059 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -11.402 -13.749 -5.085 1.00 4.52 H new ATOM 0 HZ PHE A 738 -10.834 -13.975 -7.469 1.00 4.83 H new ATOM 997 N HIS A 739 -10.716 -7.274 -5.838 1.00 2.05 N ATOM 998 CA HIS A 739 -9.824 -6.589 -6.772 1.00 2.04 C ATOM 999 C HIS A 739 -8.400 -6.951 -6.376 1.00 1.03 C ATOM 1000 O HIS A 739 -8.213 -7.586 -5.342 1.00 1.01 O ATOM 1001 CB HIS A 739 -10.024 -5.064 -6.746 1.00 2.97 C ATOM 1002 CG HIS A 739 -11.308 -4.603 -7.374 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -12.261 -3.871 -6.700 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -11.790 -4.775 -8.628 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -13.272 -3.619 -7.511 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -13.012 -4.154 -8.688 1.00 5.71 N ATOM 0 H HIS A 739 -10.340 -7.340 -4.892 1.00 2.05 H new ATOM 0 HA HIS A 739 -10.042 -6.906 -7.792 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -9.995 -4.722 -5.711 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -9.189 -4.590 -7.262 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -11.302 -5.304 -9.433 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -14.164 -3.067 -7.253 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -13.619 -4.113 -9.507 1.00 5.71 H new ATOM 1015 N ARG A 740 -7.399 -6.570 -7.165 1.00 0.94 N ATOM 1016 CA ARG A 740 -6.037 -7.039 -6.902 1.00 1.03 C ATOM 1017 C ARG A 740 -4.953 -5.988 -7.161 1.00 0.82 C ATOM 1018 O ARG A 740 -3.830 -6.137 -6.681 1.00 1.05 O ATOM 1019 CB ARG A 740 -5.752 -8.303 -7.711 1.00 2.21 C ATOM 1020 CG ARG A 740 -5.901 -8.130 -9.211 1.00 3.05 C ATOM 1021 CD ARG A 740 -5.777 -9.464 -9.918 1.00 4.00 C ATOM 1022 NE ARG A 740 -5.879 -9.342 -11.368 1.00 4.84 N ATOM 1023 CZ ARG A 740 -6.027 -10.386 -12.183 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -6.239 -11.596 -11.674 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -6.004 -10.219 -13.499 1.00 6.71 N ATOM 0 H ARG A 740 -7.497 -5.954 -7.972 1.00 0.94 H new ATOM 0 HA ARG A 740 -5.993 -7.256 -5.835 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -4.738 -8.638 -7.495 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -6.426 -9.093 -7.379 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -6.869 -7.682 -9.436 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -5.138 -7.444 -9.581 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -4.820 -9.919 -9.662 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -6.556 -10.136 -9.558 1.00 4.00 H new ATOM 0 HE ARG A 740 -5.835 -8.410 -11.779 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -6.288 -11.723 -10.663 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -6.353 -12.398 -12.294 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -5.872 -9.287 -13.893 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -6.118 -11.022 -14.117 1.00 6.71 H new ATOM 1039 N VAL A 741 -5.320 -4.884 -7.802 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.355 -3.900 -8.280 1.00 0.46 C ATOM 1041 C VAL A 741 -4.596 -2.556 -7.604 1.00 0.43 C ATOM 1042 O VAL A 741 -5.685 -2.287 -7.137 1.00 0.46 O ATOM 1043 CB VAL A 741 -4.443 -3.721 -9.806 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -3.932 -4.958 -10.525 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -5.868 -3.402 -10.234 1.00 1.06 C ATOM 0 H VAL A 741 -6.291 -4.646 -8.005 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.360 -4.268 -8.030 1.00 0.46 H new ATOM 0 HB VAL A 741 -3.809 -2.879 -10.083 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -4.004 -4.808 -11.602 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -2.892 -5.134 -10.252 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -4.533 -5.820 -10.238 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -5.904 -3.280 -11.317 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -6.528 -4.218 -9.939 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -6.194 -2.479 -9.754 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.567 -1.730 -7.502 1.00 0.42 N ATOM 1056 CA PHE A 742 -3.709 -0.444 -6.839 1.00 0.42 C ATOM 1057 C PHE A 742 -4.575 0.480 -7.669 1.00 0.45 C ATOM 1058 O PHE A 742 -4.199 0.906 -8.762 1.00 0.55 O ATOM 1059 CB PHE A 742 -2.344 0.189 -6.581 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.361 1.185 -5.463 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -1.855 0.829 -4.233 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -2.889 2.458 -5.630 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -1.869 1.716 -3.179 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -2.904 3.356 -4.579 1.00 0.75 C ATOM 1065 CZ PHE A 742 -2.394 2.983 -3.352 1.00 1.13 C ATOM 0 H PHE A 742 -2.634 -1.924 -7.866 1.00 0.42 H new ATOM 0 HA PHE A 742 -4.193 -0.606 -5.876 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -1.624 -0.596 -6.350 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -1.999 0.679 -7.491 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -1.442 -0.159 -4.093 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -3.291 2.749 -6.589 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -1.470 1.422 -2.219 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.313 4.346 -4.718 1.00 0.75 H new ATOM 0 HZ PHE A 742 -2.405 3.681 -2.528 1.00 1.13 H new ATOM 1075 N LEU A 743 -5.744 0.765 -7.136 1.00 0.48 N ATOM 1076 CA LEU A 743 -6.754 1.515 -7.847 1.00 0.61 C ATOM 1077 C LEU A 743 -6.612 3.017 -7.608 1.00 0.55 C ATOM 1078 O LEU A 743 -6.028 3.444 -6.610 1.00 0.48 O ATOM 1079 CB LEU A 743 -8.140 1.053 -7.394 1.00 0.78 C ATOM 1080 CG LEU A 743 -8.416 -0.445 -7.548 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -9.754 -0.805 -6.919 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -8.391 -0.848 -9.016 1.00 1.67 C ATOM 0 H LEU A 743 -6.020 0.482 -6.196 1.00 0.48 H new ATOM 0 HA LEU A 743 -6.625 1.332 -8.914 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -8.270 1.323 -6.346 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -8.891 1.604 -7.961 1.00 0.78 H new ATOM 0 HG LEU A 743 -7.630 -0.994 -7.030 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -9.936 -1.873 -7.037 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -9.737 -0.555 -5.858 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -10.550 -0.245 -7.411 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -8.589 -1.916 -9.103 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -9.155 -0.291 -9.559 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -7.411 -0.625 -9.438 1.00 1.67 H new ATOM 1094 N PRO A 744 -7.134 3.832 -8.541 1.00 0.66 N ATOM 1095 CA PRO A 744 -7.302 5.279 -8.346 1.00 0.67 C ATOM 1096 C PRO A 744 -8.216 5.578 -7.157 1.00 0.62 C ATOM 1097 O PRO A 744 -8.865 4.667 -6.641 1.00 0.64 O ATOM 1098 CB PRO A 744 -7.950 5.759 -9.651 1.00 0.80 C ATOM 1099 CG PRO A 744 -8.502 4.530 -10.287 1.00 1.06 C ATOM 1100 CD PRO A 744 -7.593 3.410 -9.874 1.00 0.83 C ATOM 0 HA PRO A 744 -6.356 5.776 -8.131 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -8.736 6.488 -9.455 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -7.219 6.244 -10.299 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -9.524 4.345 -9.957 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -8.530 4.630 -11.372 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -8.119 2.456 -9.837 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -6.761 3.288 -10.568 1.00 0.83 H new ATOM 1108 N SER A 745 -8.234 6.833 -6.710 1.00 0.64 N ATOM 1109 CA SER A 745 -9.026 7.255 -5.547 1.00 0.67 C ATOM 1110 C SER A 745 -10.401 6.575 -5.493 1.00 0.73 C ATOM 1111 O SER A 745 -11.189 6.648 -6.437 1.00 0.78 O ATOM 1112 CB SER A 745 -9.193 8.774 -5.563 1.00 0.74 C ATOM 1113 OG SER A 745 -7.932 9.422 -5.568 1.00 1.20 O ATOM 0 H SER A 745 -7.701 7.588 -7.141 1.00 0.64 H new ATOM 0 HA SER A 745 -8.483 6.948 -4.653 1.00 0.67 H new ATOM 0 HB2 SER A 745 -9.763 9.072 -6.443 1.00 0.74 H new ATOM 0 HB3 SER A 745 -9.765 9.090 -4.691 1.00 0.74 H new ATOM 0 HG SER A 745 -8.063 10.393 -5.580 1.00 1.20 H new ATOM 1119 N HIS A 746 -10.665 5.896 -4.382 1.00 0.81 N ATOM 1120 CA HIS A 746 -11.876 5.104 -4.217 1.00 0.91 C ATOM 1121 C HIS A 746 -12.540 5.370 -2.864 1.00 0.96 C ATOM 1122 O HIS A 746 -11.975 6.031 -1.996 1.00 1.15 O ATOM 1123 CB HIS A 746 -11.534 3.619 -4.352 1.00 1.10 C ATOM 1124 CG HIS A 746 -11.834 3.049 -5.706 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -10.985 3.173 -6.781 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -12.895 2.337 -6.152 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -11.508 2.565 -7.828 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -12.666 2.049 -7.473 1.00 3.89 N ATOM 0 H HIS A 746 -10.046 5.880 -3.572 1.00 0.81 H new ATOM 0 HA HIS A 746 -12.584 5.392 -4.994 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -10.475 3.479 -4.136 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -12.090 3.058 -3.601 1.00 1.10 H new ATOM 0 HD1 HIS A 746 -10.089 3.660 -6.770 1.00 2.92 H new ATOM 0 HD2 HIS A 746 -13.761 2.049 -5.575 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -11.062 2.501 -8.810 1.00 3.88 H new ATOM 1137 N SER A 747 -13.740 4.831 -2.710 1.00 0.93 N ATOM 1138 CA SER A 747 -14.595 5.063 -1.547 1.00 1.06 C ATOM 1139 C SER A 747 -14.235 4.183 -0.345 1.00 1.39 C ATOM 1140 O SER A 747 -14.846 4.292 0.718 1.00 1.67 O ATOM 1141 CB SER A 747 -16.039 4.824 -1.955 1.00 1.10 C ATOM 1142 OG SER A 747 -16.134 3.683 -2.792 1.00 1.34 O ATOM 0 H SER A 747 -14.158 4.208 -3.401 1.00 0.93 H new ATOM 0 HA SER A 747 -14.444 6.093 -1.223 1.00 1.06 H new ATOM 0 HB2 SER A 747 -16.656 4.684 -1.067 1.00 1.10 H new ATOM 0 HB3 SER A 747 -16.426 5.699 -2.477 1.00 1.10 H new ATOM 0 HG SER A 747 -17.070 3.540 -3.045 1.00 1.34 H new ATOM 1148 N LEU A 748 -13.261 3.302 -0.530 1.00 1.54 N ATOM 1149 CA LEU A 748 -12.940 2.249 0.437 1.00 1.97 C ATOM 1150 C LEU A 748 -12.352 2.782 1.752 1.00 1.72 C ATOM 1151 O LEU A 748 -11.785 2.006 2.526 1.00 2.07 O ATOM 1152 CB LEU A 748 -11.959 1.236 -0.177 1.00 2.49 C ATOM 1153 CG LEU A 748 -12.552 0.255 -1.202 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -13.773 -0.445 -0.629 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -12.903 0.958 -2.506 1.00 3.52 C ATOM 0 H LEU A 748 -12.665 3.294 -1.358 1.00 1.54 H new ATOM 0 HA LEU A 748 -13.888 1.768 0.677 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -11.152 1.788 -0.658 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -11.512 0.658 0.632 1.00 2.49 H new ATOM 0 HG LEU A 748 -11.792 -0.494 -1.421 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -14.178 -1.135 -1.370 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -13.488 -0.999 0.266 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -14.530 0.296 -0.371 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -13.320 0.236 -3.208 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -13.637 1.740 -2.312 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -12.004 1.402 -2.933 1.00 3.52 H new ATOM 1167 N ASP A 749 -12.446 4.092 1.997 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.849 4.677 3.201 1.00 0.97 C ATOM 1169 C ASP A 749 -12.499 4.123 4.455 1.00 0.91 C ATOM 1170 O ASP A 749 -11.848 3.994 5.488 1.00 1.13 O ATOM 1171 CB ASP A 749 -11.921 6.208 3.224 1.00 0.85 C ATOM 1172 CG ASP A 749 -11.706 6.831 1.859 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -10.662 6.556 1.237 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -12.578 7.597 1.404 1.00 1.85 O ATOM 0 H ASP A 749 -12.922 4.758 1.389 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.796 4.397 3.177 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -12.894 6.515 3.608 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -11.170 6.591 3.915 1.00 0.85 H new ATOM 1179 N THR A 750 -13.786 3.814 4.377 1.00 1.03 N ATOM 1180 CA THR A 750 -14.411 3.025 5.419 1.00 1.16 C ATOM 1181 C THR A 750 -14.842 1.702 4.808 1.00 1.58 C ATOM 1182 O THR A 750 -15.672 1.665 3.894 1.00 2.13 O ATOM 1183 CB THR A 750 -15.617 3.759 6.030 1.00 1.60 C ATOM 1184 OG1 THR A 750 -15.252 5.115 6.319 1.00 2.42 O ATOM 1185 CG2 THR A 750 -16.080 3.072 7.306 1.00 2.13 C ATOM 0 H THR A 750 -14.405 4.093 3.616 1.00 1.03 H new ATOM 0 HA THR A 750 -13.700 2.856 6.228 1.00 1.16 H new ATOM 0 HB THR A 750 -16.437 3.740 5.312 1.00 1.60 H new ATOM 0 HG1 THR A 750 -16.020 5.585 6.707 1.00 2.42 H new ATOM 0 HG21 THR A 750 -16.934 3.609 7.719 1.00 2.13 H new ATOM 0 HG22 THR A 750 -16.371 2.046 7.082 1.00 2.13 H new ATOM 0 HG23 THR A 750 -15.267 3.068 8.032 1.00 2.13 H new ATOM 1193 N VAL A 751 -14.271 0.627 5.312 1.00 1.82 N ATOM 1194 CA VAL A 751 -14.364 -0.654 4.644 1.00 2.44 C ATOM 1195 C VAL A 751 -14.236 -1.804 5.645 1.00 2.14 C ATOM 1196 O VAL A 751 -13.995 -1.576 6.833 1.00 2.27 O ATOM 1197 CB VAL A 751 -13.251 -0.738 3.579 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -11.891 -0.788 4.250 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -13.448 -1.912 2.632 1.00 4.17 C ATOM 0 H VAL A 751 -13.738 0.615 6.182 1.00 1.82 H new ATOM 0 HA VAL A 751 -15.340 -0.742 4.167 1.00 2.44 H new ATOM 0 HB VAL A 751 -13.305 0.162 2.967 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -11.112 -0.847 3.490 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -11.747 0.112 4.848 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -11.836 -1.665 4.895 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -12.640 -1.929 1.901 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -13.443 -2.842 3.200 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -14.402 -1.807 2.116 1.00 4.17 H new ATOM 1209 N SER A 752 -14.415 -3.027 5.162 1.00 2.23 N ATOM 1210 CA SER A 752 -14.049 -4.217 5.908 1.00 2.12 C ATOM 1211 C SER A 752 -12.531 -4.214 6.135 1.00 2.30 C ATOM 1212 O SER A 752 -11.767 -3.966 5.204 1.00 2.26 O ATOM 1213 CB SER A 752 -14.467 -5.452 5.109 1.00 2.47 C ATOM 1214 OG SER A 752 -15.727 -5.240 4.482 1.00 2.95 O ATOM 0 H SER A 752 -14.817 -3.218 4.244 1.00 2.23 H new ATOM 0 HA SER A 752 -14.553 -4.232 6.874 1.00 2.12 H new ATOM 0 HB2 SER A 752 -13.713 -5.676 4.355 1.00 2.47 H new ATOM 0 HB3 SER A 752 -14.524 -6.317 5.770 1.00 2.47 H new ATOM 0 HG SER A 752 -15.978 -6.039 3.974 1.00 2.95 H new ATOM 1220 N PRO A 753 -12.075 -4.485 7.370 1.00 2.99 N ATOM 1221 CA PRO A 753 -10.661 -4.327 7.763 1.00 3.72 C ATOM 1222 C PRO A 753 -9.681 -5.239 7.011 1.00 3.48 C ATOM 1223 O PRO A 753 -8.467 -5.060 7.111 1.00 3.96 O ATOM 1224 CB PRO A 753 -10.658 -4.675 9.258 1.00 4.69 C ATOM 1225 CG PRO A 753 -12.081 -4.568 9.686 1.00 4.49 C ATOM 1226 CD PRO A 753 -12.897 -4.957 8.491 1.00 3.44 C ATOM 0 HA PRO A 753 -10.316 -3.320 7.527 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -10.270 -5.679 9.428 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -10.025 -3.989 9.821 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -12.286 -5.226 10.530 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -12.317 -3.554 10.008 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -13.062 -6.034 8.447 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -13.879 -4.484 8.500 1.00 3.44 H new ATOM 1234 N SER A 754 -10.194 -6.221 6.285 1.00 2.99 N ATOM 1235 CA SER A 754 -9.338 -7.145 5.539 1.00 3.13 C ATOM 1236 C SER A 754 -9.179 -6.703 4.085 1.00 2.22 C ATOM 1237 O SER A 754 -8.623 -7.426 3.256 1.00 2.49 O ATOM 1238 CB SER A 754 -9.905 -8.561 5.608 1.00 3.71 C ATOM 1239 OG SER A 754 -10.152 -8.939 6.956 1.00 4.37 O ATOM 0 H SER A 754 -11.194 -6.402 6.194 1.00 2.99 H new ATOM 0 HA SER A 754 -8.350 -7.137 5.999 1.00 3.13 H new ATOM 0 HB2 SER A 754 -10.830 -8.616 5.035 1.00 3.71 H new ATOM 0 HB3 SER A 754 -9.205 -9.261 5.151 1.00 3.71 H new ATOM 0 HG SER A 754 -10.517 -9.848 6.979 1.00 4.37 H new ATOM 1245 N ASP A 755 -9.703 -5.526 3.789 1.00 1.48 N ATOM 1246 CA ASP A 755 -9.615 -4.924 2.462 1.00 0.96 C ATOM 1247 C ASP A 755 -8.161 -4.665 2.033 1.00 1.01 C ATOM 1248 O ASP A 755 -7.219 -4.959 2.771 1.00 1.88 O ATOM 1249 CB ASP A 755 -10.490 -3.672 2.342 1.00 1.69 C ATOM 1250 CG ASP A 755 -9.727 -2.369 2.368 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -9.681 -1.698 1.319 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -9.209 -1.990 3.428 1.00 2.95 O ATOM 0 H ASP A 755 -10.207 -4.953 4.466 1.00 1.48 H new ATOM 0 HA ASP A 755 -10.015 -5.654 1.759 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -11.057 -3.728 1.412 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -11.214 -3.671 3.157 1.00 1.69 H new ATOM 1257 N THR A 756 -8.022 -4.127 0.825 1.00 0.93 N ATOM 1258 CA THR A 756 -6.816 -4.187 0.000 1.00 0.99 C ATOM 1259 C THR A 756 -5.478 -4.314 0.719 1.00 0.78 C ATOM 1260 O THR A 756 -5.072 -3.490 1.540 1.00 0.89 O ATOM 1261 CB THR A 756 -6.719 -2.963 -0.932 1.00 1.43 C ATOM 1262 OG1 THR A 756 -5.378 -2.827 -1.401 1.00 1.93 O ATOM 1263 CG2 THR A 756 -7.132 -1.679 -0.229 1.00 2.05 C ATOM 0 H THR A 756 -8.779 -3.614 0.373 1.00 0.93 H new ATOM 0 HA THR A 756 -6.961 -5.124 -0.538 1.00 0.99 H new ATOM 0 HB THR A 756 -7.402 -3.127 -1.765 1.00 1.43 H new ATOM 0 HG1 THR A 756 -5.087 -1.897 -1.296 1.00 1.93 H new ATOM 0 HG21 THR A 756 -7.049 -0.842 -0.922 1.00 2.05 H new ATOM 0 HG22 THR A 756 -8.164 -1.766 0.112 1.00 2.05 H new ATOM 0 HG23 THR A 756 -6.480 -1.507 0.628 1.00 2.05 H new ATOM 1271 N LEU A 757 -4.787 -5.370 0.325 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.385 -5.558 0.605 1.00 0.58 C ATOM 1273 C LEU A 757 -2.573 -5.033 -0.570 1.00 0.44 C ATOM 1274 O LEU A 757 -3.035 -5.085 -1.710 1.00 0.46 O ATOM 1275 CB LEU A 757 -3.115 -7.046 0.776 1.00 0.70 C ATOM 1276 CG LEU A 757 -2.737 -7.501 2.183 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -3.797 -7.085 3.185 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -2.550 -9.008 2.200 1.00 1.66 C ATOM 0 H LEU A 757 -5.200 -6.134 -0.210 1.00 0.68 H new ATOM 0 HA LEU A 757 -3.107 -5.024 1.513 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -4.004 -7.594 0.465 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -2.312 -7.330 0.096 1.00 0.70 H new ATOM 0 HG LEU A 757 -1.800 -7.023 2.468 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -3.507 -7.419 4.181 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -3.895 -5.999 3.181 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -4.751 -7.537 2.914 1.00 1.53 H new ATOM 0 HD21 LEU A 757 -2.280 -9.330 3.206 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -3.479 -9.493 1.901 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -1.756 -9.284 1.506 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.379 -4.532 -0.306 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.503 -4.111 -1.332 1.00 0.40 C ATOM 1292 C LEU A 758 0.675 -5.032 -1.396 1.00 0.35 C ATOM 1293 O LEU A 758 1.185 -5.493 -0.362 1.00 0.40 O ATOM 1294 CB LEU A 758 -0.137 -2.645 -1.063 1.00 0.54 C ATOM 1295 CG LEU A 758 1.298 -2.161 -1.309 1.00 0.60 C ATOM 1296 CD1 LEU A 758 2.316 -2.820 -0.401 1.00 1.19 C ATOM 1297 CD2 LEU A 758 1.711 -2.291 -2.761 1.00 1.13 C ATOM 0 H LEU A 758 -1.008 -4.414 0.637 1.00 0.39 H new ATOM 0 HA LEU A 758 -0.968 -4.159 -2.317 1.00 0.40 H new ATOM 0 HB2 LEU A 758 -0.797 -2.028 -1.672 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -0.377 -2.436 -0.020 1.00 0.54 H new ATOM 0 HG LEU A 758 1.286 -1.101 -1.057 1.00 0.60 H new ATOM 0 HD11 LEU A 758 3.310 -2.433 -0.627 1.00 1.19 H new ATOM 0 HD12 LEU A 758 2.070 -2.603 0.639 1.00 1.19 H new ATOM 0 HD13 LEU A 758 2.302 -3.898 -0.560 1.00 1.19 H new ATOM 0 HD21 LEU A 758 2.734 -1.935 -2.881 1.00 1.13 H new ATOM 0 HD22 LEU A 758 1.652 -3.336 -3.064 1.00 1.13 H new ATOM 0 HD23 LEU A 758 1.044 -1.695 -3.384 1.00 1.13 H new ATOM 1309 N CYS A 759 1.036 -5.381 -2.608 1.00 0.35 N ATOM 1310 CA CYS A 759 2.268 -6.110 -2.806 1.00 0.36 C ATOM 1311 C CYS A 759 3.007 -5.532 -3.997 1.00 0.36 C ATOM 1312 O CYS A 759 2.655 -5.823 -5.138 1.00 0.40 O ATOM 1313 CB CYS A 759 1.983 -7.600 -3.019 1.00 0.46 C ATOM 1314 SG CYS A 759 3.448 -8.653 -2.934 1.00 1.55 S ATOM 0 H CYS A 759 0.508 -5.178 -3.457 1.00 0.35 H new ATOM 0 HA CYS A 759 2.890 -6.012 -1.917 1.00 0.36 H new ATOM 0 HB2 CYS A 759 1.266 -7.932 -2.268 1.00 0.46 H new ATOM 0 HB3 CYS A 759 1.510 -7.733 -3.992 1.00 0.46 H new ATOM 0 HG CYS A 759 4.029 -8.496 -1.782 1.00 1.55 H new ATOM 1320 N PHE A 760 4.023 -4.727 -3.774 1.00 0.36 N ATOM 1321 CA PHE A 760 4.839 -4.302 -4.881 1.00 0.41 C ATOM 1322 C PHE A 760 6.316 -4.390 -4.579 1.00 0.36 C ATOM 1323 O PHE A 760 6.740 -4.453 -3.410 1.00 0.50 O ATOM 1324 CB PHE A 760 4.475 -2.911 -5.373 1.00 0.68 C ATOM 1325 CG PHE A 760 4.508 -2.844 -6.866 1.00 1.79 C ATOM 1326 CD1 PHE A 760 3.579 -3.553 -7.606 1.00 2.53 C ATOM 1327 CD2 PHE A 760 5.470 -2.102 -7.530 1.00 2.16 C ATOM 1328 CE1 PHE A 760 3.606 -3.524 -8.987 1.00 3.60 C ATOM 1329 CE2 PHE A 760 5.503 -2.065 -8.911 1.00 3.23 C ATOM 1330 CZ PHE A 760 4.569 -2.777 -9.642 1.00 3.94 C ATOM 0 H PHE A 760 4.296 -4.364 -2.861 1.00 0.36 H new ATOM 0 HA PHE A 760 4.625 -5.004 -5.687 1.00 0.41 H new ATOM 0 HB2 PHE A 760 3.481 -2.644 -5.016 1.00 0.68 H new ATOM 0 HB3 PHE A 760 5.170 -2.181 -4.957 1.00 0.68 H new ATOM 0 HD1 PHE A 760 2.824 -4.136 -7.099 1.00 2.53 H new ATOM 0 HD2 PHE A 760 6.202 -1.546 -6.963 1.00 2.16 H new ATOM 0 HE1 PHE A 760 2.877 -4.083 -9.554 1.00 3.60 H new ATOM 0 HE2 PHE A 760 6.257 -1.481 -9.419 1.00 3.23 H new ATOM 0 HZ PHE A 760 4.591 -2.750 -10.721 1.00 3.94 H new ATOM 1340 N GLU A 761 7.070 -4.544 -5.647 1.00 0.35 N ATOM 1341 CA GLU A 761 8.491 -4.287 -5.621 1.00 0.40 C ATOM 1342 C GLU A 761 8.829 -3.242 -6.677 1.00 0.61 C ATOM 1343 O GLU A 761 8.637 -3.493 -7.868 1.00 0.79 O ATOM 1344 CB GLU A 761 9.309 -5.547 -5.882 1.00 0.52 C ATOM 1345 CG GLU A 761 8.769 -6.802 -5.224 1.00 1.26 C ATOM 1346 CD GLU A 761 9.601 -8.019 -5.564 1.00 1.49 C ATOM 1347 OE1 GLU A 761 10.656 -8.221 -4.925 1.00 1.96 O ATOM 1348 OE2 GLU A 761 9.210 -8.767 -6.482 1.00 1.88 O ATOM 0 H GLU A 761 6.715 -4.850 -6.553 1.00 0.35 H new ATOM 0 HA GLU A 761 8.746 -3.927 -4.624 1.00 0.40 H new ATOM 0 HB2 GLU A 761 9.363 -5.712 -6.958 1.00 0.52 H new ATOM 0 HB3 GLU A 761 10.328 -5.380 -5.534 1.00 0.52 H new ATOM 0 HG2 GLU A 761 8.750 -6.666 -4.143 1.00 1.26 H new ATOM 0 HG3 GLU A 761 7.740 -6.965 -5.543 1.00 1.26 H new ATOM 1355 N LEU A 762 9.313 -2.089 -6.270 1.00 0.89 N ATOM 1356 CA LEU A 762 9.920 -1.159 -7.211 1.00 1.28 C ATOM 1357 C LEU A 762 11.264 -0.735 -6.644 1.00 0.79 C ATOM 1358 O LEU A 762 11.404 -0.643 -5.427 1.00 0.89 O ATOM 1359 CB LEU A 762 8.997 0.046 -7.425 1.00 2.07 C ATOM 1360 CG LEU A 762 9.051 0.706 -8.808 1.00 3.10 C ATOM 1361 CD1 LEU A 762 10.355 1.459 -9.015 1.00 3.72 C ATOM 1362 CD2 LEU A 762 8.853 -0.337 -9.896 1.00 3.94 C ATOM 0 H LEU A 762 9.301 -1.770 -5.301 1.00 0.89 H new ATOM 0 HA LEU A 762 10.068 -1.630 -8.183 1.00 1.28 H new ATOM 0 HB2 LEU A 762 7.971 -0.271 -7.237 1.00 2.07 H new ATOM 0 HB3 LEU A 762 9.240 0.800 -6.676 1.00 2.07 H new ATOM 0 HG LEU A 762 8.241 1.433 -8.867 1.00 3.10 H new ATOM 0 HD11 LEU A 762 10.359 1.914 -10.005 1.00 3.72 H new ATOM 0 HD12 LEU A 762 10.450 2.237 -8.258 1.00 3.72 H new ATOM 0 HD13 LEU A 762 11.192 0.766 -8.931 1.00 3.72 H new ATOM 0 HD21 LEU A 762 8.893 0.144 -10.873 1.00 3.94 H new ATOM 0 HD22 LEU A 762 9.641 -1.087 -9.828 1.00 3.94 H new ATOM 0 HD23 LEU A 762 7.883 -0.817 -9.768 1.00 3.94 H new ATOM 1374 N LEU A 763 12.265 -0.507 -7.488 1.00 1.06 N ATOM 1375 CA LEU A 763 13.579 -0.199 -6.978 1.00 0.98 C ATOM 1376 C LEU A 763 13.830 1.292 -7.025 1.00 0.79 C ATOM 1377 O LEU A 763 13.852 1.909 -8.093 1.00 1.44 O ATOM 1378 CB LEU A 763 14.670 -0.941 -7.764 1.00 1.81 C ATOM 1379 CG LEU A 763 14.795 -2.445 -7.478 1.00 2.42 C ATOM 1380 CD1 LEU A 763 13.628 -3.225 -8.070 1.00 2.97 C ATOM 1381 CD2 LEU A 763 16.115 -2.977 -8.016 1.00 3.32 C ATOM 0 H LEU A 763 12.187 -0.531 -8.505 1.00 1.06 H new ATOM 0 HA LEU A 763 13.619 -0.533 -5.941 1.00 0.98 H new ATOM 0 HB2 LEU A 763 14.478 -0.808 -8.829 1.00 1.81 H new ATOM 0 HB3 LEU A 763 15.629 -0.469 -7.551 1.00 1.81 H new ATOM 0 HG LEU A 763 14.772 -2.582 -6.397 1.00 2.42 H new ATOM 0 HD11 LEU A 763 13.749 -4.285 -7.848 1.00 2.97 H new ATOM 0 HD12 LEU A 763 12.694 -2.868 -7.636 1.00 2.97 H new ATOM 0 HD13 LEU A 763 13.604 -3.080 -9.150 1.00 2.97 H new ATOM 0 HD21 LEU A 763 16.190 -4.044 -7.806 1.00 3.32 H new ATOM 0 HD22 LEU A 763 16.161 -2.815 -9.093 1.00 3.32 H new ATOM 0 HD23 LEU A 763 16.941 -2.454 -7.535 1.00 3.32 H new ATOM 1393 N SER A 764 14.017 1.846 -5.852 1.00 0.58 N ATOM 1394 CA SER A 764 14.457 3.199 -5.680 1.00 0.61 C ATOM 1395 C SER A 764 14.807 3.372 -4.207 1.00 0.71 C ATOM 1396 O SER A 764 14.545 2.468 -3.408 1.00 1.17 O ATOM 1397 CB SER A 764 13.364 4.183 -6.105 1.00 1.02 C ATOM 1398 OG SER A 764 13.813 5.528 -6.029 1.00 1.67 O ATOM 0 H SER A 764 13.862 1.352 -4.973 1.00 0.58 H new ATOM 0 HA SER A 764 15.326 3.405 -6.305 1.00 0.61 H new ATOM 0 HB2 SER A 764 13.050 3.961 -7.125 1.00 1.02 H new ATOM 0 HB3 SER A 764 12.490 4.054 -5.467 1.00 1.02 H new ATOM 0 HG SER A 764 13.092 6.130 -6.309 1.00 1.67 H new ATOM 1404 N SER A 765 15.377 4.506 -3.838 1.00 0.99 N ATOM 1405 CA SER A 765 15.709 4.768 -2.444 1.00 1.18 C ATOM 1406 C SER A 765 15.957 6.252 -2.220 1.00 1.13 C ATOM 1407 O SER A 765 16.178 7.002 -3.175 1.00 1.21 O ATOM 1408 CB SER A 765 16.935 3.947 -2.036 1.00 1.51 C ATOM 1409 OG SER A 765 17.965 4.043 -3.010 1.00 2.10 O ATOM 0 H SER A 765 15.620 5.260 -4.481 1.00 0.99 H new ATOM 0 HA SER A 765 14.865 4.471 -1.821 1.00 1.18 H new ATOM 0 HB2 SER A 765 17.307 4.298 -1.074 1.00 1.51 H new ATOM 0 HB3 SER A 765 16.650 2.903 -1.906 1.00 1.51 H new ATOM 0 HG SER A 765 18.737 3.511 -2.724 1.00 2.10 H new ATOM 1415 N GLU A 766 15.868 6.689 -0.977 1.00 1.43 N ATOM 1416 CA GLU A 766 16.244 8.040 -0.635 1.00 1.74 C ATOM 1417 C GLU A 766 17.525 8.017 0.183 1.00 2.11 C ATOM 1418 O GLU A 766 17.451 7.756 1.398 1.00 2.79 O ATOM 1419 CB GLU A 766 15.129 8.744 0.133 1.00 2.48 C ATOM 1420 CG GLU A 766 15.362 10.234 0.279 1.00 3.22 C ATOM 1421 CD GLU A 766 15.426 10.930 -1.064 1.00 4.06 C ATOM 1422 OE1 GLU A 766 14.361 11.297 -1.591 1.00 4.70 O ATOM 1423 OE2 GLU A 766 16.536 11.089 -1.614 1.00 4.47 O ATOM 1424 OXT GLU A 766 18.605 8.248 -0.398 1.00 2.51 O ATOM 0 H GLU A 766 15.539 6.126 -0.192 1.00 1.43 H new ATOM 0 HA GLU A 766 16.414 8.600 -1.555 1.00 1.74 H new ATOM 0 HB2 GLU A 766 14.181 8.578 -0.379 1.00 2.48 H new ATOM 0 HB3 GLU A 766 15.039 8.297 1.123 1.00 2.48 H new ATOM 0 HG2 GLU A 766 14.561 10.670 0.876 1.00 3.22 H new ATOM 0 HG3 GLU A 766 16.292 10.405 0.821 1.00 3.22 H new