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 735 LYS NZ :NH3+ -162:sc= 1.1 (180deg=0.875) USER MOD Set 1.2: A 754 SER OG : rot 49:sc= 0.075 USER MOD Set 2.1: A 709 THR OG1 : rot 160:sc= 0.461 USER MOD Set 2.2: A 711 SER OG : rot 180:sc= 0 USER MOD Single : A 679 LYS NZ :NH3+ -155:sc= 1.02 (180deg=0.0631) USER MOD Single : A 680 GLN : amide:sc= 0.527 K(o=0.53,f=-0.021) USER MOD Single : A 681 LYS NZ :NH3+ 150:sc= 0.24 (180deg=-0.0347) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 693 HIS : no HD1:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 694 SER OG : rot 180:sc= 0 USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 698 LYS NZ :NH3+ 169:sc=-0.00761 (180deg=-0.155) USER MOD Single : A 702 SER OG : rot 179:sc= -2.38! USER MOD Single : A 704 SER OG : rot 136:sc= 0.942 USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 707 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 73:sc= -0.392 USER MOD Single : A 718 SER OG : rot 120:sc= -1.39! USER MOD Single : A 719 GLN : amide:sc=-0.00592 K(o=-0.0059,f=-1.7!) USER MOD Single : A 720 SER OG : rot 78:sc= 1.19 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 724 LYS NZ :NH3+ 171:sc=-0.000418 (180deg=-0.0923) USER MOD Single : A 727 ASN : amide:sc= -6.28! K(o=-6.3!,f=-2.4) USER MOD Single : A 736 ASN : amide:sc=-0.00828 X(o=-0.0083,f=-0.066) USER MOD Single : A 739 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 745 SER OG : rot 180:sc= 0 USER MOD Single : A 746 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-4.3!) USER MOD Single : A 747 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 750 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 752 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 756 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 759 CYS SG : rot 62:sc= 0.444 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 765 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -9.672 9.969 9.110 1.00 0.86 N ATOM 2 CA LYS A 679 -8.840 8.777 8.850 1.00 0.72 C ATOM 3 C LYS A 679 -9.632 7.491 9.051 1.00 0.66 C ATOM 4 O LYS A 679 -10.128 7.196 10.139 1.00 1.02 O ATOM 5 CB LYS A 679 -7.610 8.777 9.754 1.00 0.92 C ATOM 6 CG LYS A 679 -6.401 9.411 9.101 1.00 0.97 C ATOM 7 CD LYS A 679 -5.893 8.559 7.948 1.00 1.12 C ATOM 8 CE LYS A 679 -5.140 7.341 8.452 1.00 1.43 C ATOM 9 NZ LYS A 679 -3.878 7.713 9.150 1.00 2.26 N ATOM 0 HA LYS A 679 -8.519 8.820 7.809 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -7.842 9.312 10.675 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -7.370 7.751 10.033 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -6.660 10.405 8.736 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -5.610 9.538 9.840 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -6.733 8.240 7.331 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -5.239 9.156 7.312 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -5.778 6.777 9.133 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -4.910 6.684 7.613 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -3.208 6.919 9.103 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -3.460 8.547 8.690 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -4.084 7.934 10.145 1.00 2.26 H new ATOM 25 N GLN A 680 -9.737 6.759 7.967 1.00 0.54 N ATOM 26 CA GLN A 680 -10.391 5.479 7.890 1.00 0.71 C ATOM 27 C GLN A 680 -9.365 4.345 7.884 1.00 0.50 C ATOM 28 O GLN A 680 -8.161 4.573 7.952 1.00 0.78 O ATOM 29 CB GLN A 680 -11.324 5.377 6.682 1.00 1.24 C ATOM 30 CG GLN A 680 -12.721 5.942 6.910 1.00 1.84 C ATOM 31 CD GLN A 680 -12.756 7.452 7.002 1.00 2.28 C ATOM 32 OE1 GLN A 680 -12.641 8.028 8.083 1.00 2.61 O ATOM 33 NE2 GLN A 680 -12.930 8.103 5.864 1.00 2.98 N ATOM 0 H GLN A 680 -9.349 7.057 7.072 1.00 0.54 H new ATOM 0 HA GLN A 680 -11.011 5.381 8.781 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -10.867 5.900 5.842 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -11.412 4.329 6.395 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -13.371 5.621 6.096 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -13.129 5.521 7.829 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -13.021 7.586 4.989 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -12.973 9.122 5.861 1.00 2.98 H new ATOM 42 N LYS A 681 -9.924 3.152 7.844 1.00 0.53 N ATOM 43 CA LYS A 681 -9.298 1.828 8.023 1.00 0.44 C ATOM 44 C LYS A 681 -7.760 1.693 7.905 1.00 0.37 C ATOM 45 O LYS A 681 -7.079 2.426 7.196 1.00 0.55 O ATOM 46 CB LYS A 681 -9.951 0.970 6.947 1.00 0.63 C ATOM 47 CG LYS A 681 -10.027 1.661 5.568 1.00 0.67 C ATOM 48 CD LYS A 681 -8.739 1.524 4.770 1.00 0.70 C ATOM 49 CE LYS A 681 -8.603 0.120 4.214 1.00 0.87 C ATOM 50 NZ LYS A 681 -9.806 -0.307 3.445 1.00 1.44 N ATOM 0 H LYS A 681 -10.925 3.061 7.669 1.00 0.53 H new ATOM 0 HA LYS A 681 -9.459 1.544 9.063 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -9.393 0.039 6.848 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -10.959 0.705 7.267 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -10.851 1.233 4.997 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -10.252 2.718 5.708 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -8.732 2.246 3.954 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -7.884 1.753 5.406 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -7.726 0.072 3.568 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -8.433 -0.578 5.034 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -9.523 -0.975 2.700 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -10.482 -0.770 4.086 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -10.254 0.525 3.011 1.00 1.44 H new ATOM 64 N VAL A 682 -7.245 0.666 8.601 1.00 0.33 N ATOM 65 CA VAL A 682 -5.810 0.405 8.699 1.00 0.35 C ATOM 66 C VAL A 682 -5.391 -0.745 7.773 1.00 0.37 C ATOM 67 O VAL A 682 -6.006 -1.812 7.767 1.00 0.46 O ATOM 68 CB VAL A 682 -5.411 0.073 10.168 1.00 0.49 C ATOM 69 CG1 VAL A 682 -6.018 1.079 11.129 1.00 1.36 C ATOM 70 CG2 VAL A 682 -5.827 -1.336 10.576 1.00 1.32 C ATOM 0 H VAL A 682 -7.819 -0.005 9.111 1.00 0.33 H new ATOM 0 HA VAL A 682 -5.288 1.309 8.385 1.00 0.35 H new ATOM 0 HB VAL A 682 -4.324 0.129 10.217 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -5.727 0.829 12.149 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -5.659 2.079 10.884 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -7.104 1.053 11.045 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -5.527 -1.520 11.608 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -6.909 -1.435 10.490 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -5.343 -2.062 9.923 1.00 1.32 H new ATOM 80 N LEU A 683 -4.394 -0.494 6.940 1.00 0.34 N ATOM 81 CA LEU A 683 -3.916 -1.499 5.999 1.00 0.39 C ATOM 82 C LEU A 683 -2.508 -1.984 6.294 1.00 0.38 C ATOM 83 O LEU A 683 -1.548 -1.232 6.123 1.00 0.38 O ATOM 84 CB LEU A 683 -3.969 -0.941 4.588 1.00 0.47 C ATOM 85 CG LEU A 683 -5.375 -0.719 4.077 1.00 0.82 C ATOM 86 CD1 LEU A 683 -5.346 -0.082 2.698 1.00 1.44 C ATOM 87 CD2 LEU A 683 -6.126 -2.041 4.059 1.00 1.55 C ATOM 0 H LEU A 683 -3.899 0.397 6.895 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.575 -2.361 6.103 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.428 0.005 4.560 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -3.451 -1.625 3.916 1.00 0.47 H new ATOM 0 HG LEU A 683 -5.897 -0.034 4.745 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -6.366 0.070 2.346 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -4.833 0.878 2.752 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -4.817 -0.737 2.006 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -7.139 -1.879 3.691 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -5.610 -2.744 3.405 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.168 -2.449 5.069 1.00 1.55 H new ATOM 99 N PRO A 684 -2.331 -3.232 6.751 1.00 0.41 N ATOM 100 CA PRO A 684 -1.020 -3.845 6.672 1.00 0.40 C ATOM 101 C PRO A 684 -0.781 -4.384 5.262 1.00 0.38 C ATOM 102 O PRO A 684 -1.601 -5.130 4.723 1.00 0.43 O ATOM 103 CB PRO A 684 -1.115 -4.981 7.692 1.00 0.48 C ATOM 104 CG PRO A 684 -2.568 -5.343 7.743 1.00 0.65 C ATOM 105 CD PRO A 684 -3.346 -4.107 7.359 1.00 0.48 C ATOM 0 HA PRO A 684 -0.196 -3.161 6.877 1.00 0.40 H new ATOM 0 HB2 PRO A 684 -0.507 -5.834 7.389 1.00 0.48 H new ATOM 0 HB3 PRO A 684 -0.754 -4.663 8.670 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.785 -6.163 7.059 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -2.847 -5.679 8.742 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -4.147 -4.340 6.657 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.810 -3.639 8.228 1.00 0.48 H new ATOM 113 N VAL A 685 0.330 -4.006 4.663 1.00 0.34 N ATOM 114 CA VAL A 685 0.692 -4.523 3.351 1.00 0.33 C ATOM 115 C VAL A 685 1.928 -5.410 3.425 1.00 0.30 C ATOM 116 O VAL A 685 2.772 -5.222 4.298 1.00 0.33 O ATOM 117 CB VAL A 685 0.886 -3.406 2.314 1.00 0.39 C ATOM 118 CG1 VAL A 685 -0.240 -2.388 2.417 1.00 0.45 C ATOM 119 CG2 VAL A 685 2.241 -2.748 2.464 1.00 0.60 C ATOM 0 H VAL A 685 0.998 -3.345 5.059 1.00 0.34 H new ATOM 0 HA VAL A 685 -0.148 -5.132 3.016 1.00 0.33 H new ATOM 0 HB VAL A 685 0.852 -3.851 1.320 1.00 0.39 H new ATOM 0 HG11 VAL A 685 -0.089 -1.603 1.676 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -1.194 -2.881 2.234 1.00 0.45 H new ATOM 0 HG13 VAL A 685 -0.244 -1.950 3.415 1.00 0.45 H new ATOM 0 HG21 VAL A 685 2.349 -1.962 1.716 1.00 0.60 H new ATOM 0 HG22 VAL A 685 2.327 -2.315 3.461 1.00 0.60 H new ATOM 0 HG23 VAL A 685 3.025 -3.492 2.323 1.00 0.60 H new ATOM 129 N PHE A 686 2.041 -6.359 2.506 1.00 0.33 N ATOM 130 CA PHE A 686 3.216 -7.224 2.438 1.00 0.37 C ATOM 131 C PHE A 686 4.005 -6.897 1.191 1.00 0.44 C ATOM 132 O PHE A 686 3.663 -7.336 0.104 1.00 0.70 O ATOM 133 CB PHE A 686 2.827 -8.702 2.395 1.00 0.62 C ATOM 134 CG PHE A 686 2.395 -9.276 3.718 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.402 -8.664 4.462 1.00 1.55 C ATOM 136 CD2 PHE A 686 2.979 -10.434 4.212 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.997 -9.191 5.674 1.00 2.32 C ATOM 138 CE2 PHE A 686 2.579 -10.965 5.424 1.00 2.43 C ATOM 139 CZ PHE A 686 1.588 -10.341 6.156 1.00 2.65 C ATOM 0 H PHE A 686 1.334 -6.551 1.796 1.00 0.33 H new ATOM 0 HA PHE A 686 3.812 -7.048 3.334 1.00 0.37 H new ATOM 0 HB2 PHE A 686 2.017 -8.830 1.677 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.676 -9.277 2.024 1.00 0.62 H new ATOM 0 HD1 PHE A 686 0.937 -7.763 4.091 1.00 1.55 H new ATOM 0 HD2 PHE A 686 3.754 -10.926 3.643 1.00 1.65 H new ATOM 0 HE1 PHE A 686 0.219 -8.703 6.243 1.00 2.32 H new ATOM 0 HE2 PHE A 686 3.041 -11.867 5.798 1.00 2.43 H new ATOM 0 HZ PHE A 686 1.276 -10.753 7.104 1.00 2.65 H new ATOM 149 N TYR A 687 5.071 -6.156 1.349 1.00 0.46 N ATOM 150 CA TYR A 687 5.811 -5.650 0.212 1.00 0.69 C ATOM 151 C TYR A 687 7.250 -6.119 0.243 1.00 0.50 C ATOM 152 O TYR A 687 7.843 -6.298 1.309 1.00 0.64 O ATOM 153 CB TYR A 687 5.730 -4.124 0.121 1.00 1.33 C ATOM 154 CG TYR A 687 6.327 -3.364 1.286 1.00 2.53 C ATOM 155 CD1 TYR A 687 5.527 -2.931 2.336 1.00 3.44 C ATOM 156 CD2 TYR A 687 7.678 -3.044 1.318 1.00 3.03 C ATOM 157 CE1 TYR A 687 6.054 -2.198 3.379 1.00 4.64 C ATOM 158 CE2 TYR A 687 8.213 -2.320 2.363 1.00 4.21 C ATOM 159 CZ TYR A 687 7.396 -1.898 3.389 1.00 4.97 C ATOM 160 OH TYR A 687 7.924 -1.158 4.424 1.00 6.20 O ATOM 0 H TYR A 687 5.451 -5.886 2.256 1.00 0.46 H new ATOM 0 HA TYR A 687 5.346 -6.056 -0.686 1.00 0.69 H new ATOM 0 HB2 TYR A 687 6.233 -3.806 -0.792 1.00 1.33 H new ATOM 0 HB3 TYR A 687 4.682 -3.839 0.024 1.00 1.33 H new ATOM 0 HD1 TYR A 687 4.474 -3.172 2.336 1.00 3.44 H new ATOM 0 HD2 TYR A 687 8.320 -3.367 0.512 1.00 3.03 H new ATOM 0 HE1 TYR A 687 5.416 -1.862 4.183 1.00 4.64 H new ATOM 0 HE2 TYR A 687 9.267 -2.085 2.377 1.00 4.21 H new ATOM 0 HH TYR A 687 8.886 -1.035 4.281 1.00 6.20 H new ATOM 170 N PHE A 688 7.815 -6.353 -0.917 1.00 0.57 N ATOM 171 CA PHE A 688 9.195 -6.772 -0.955 1.00 0.60 C ATOM 172 C PHE A 688 10.030 -5.510 -0.948 1.00 0.63 C ATOM 173 O PHE A 688 10.057 -4.748 -1.915 1.00 0.69 O ATOM 174 CB PHE A 688 9.485 -7.609 -2.202 1.00 0.81 C ATOM 175 CG PHE A 688 8.579 -8.798 -2.361 1.00 1.20 C ATOM 176 CD1 PHE A 688 7.478 -8.740 -3.202 1.00 1.75 C ATOM 177 CD2 PHE A 688 8.831 -9.973 -1.673 1.00 1.41 C ATOM 178 CE1 PHE A 688 6.646 -9.832 -3.352 1.00 2.40 C ATOM 179 CE2 PHE A 688 8.001 -11.068 -1.819 1.00 2.00 C ATOM 180 CZ PHE A 688 6.909 -10.997 -2.660 1.00 2.48 C ATOM 0 H PHE A 688 7.356 -6.264 -1.824 1.00 0.57 H new ATOM 0 HA PHE A 688 9.430 -7.403 -0.098 1.00 0.60 H new ATOM 0 HB2 PHE A 688 9.393 -6.974 -3.083 1.00 0.81 H new ATOM 0 HB3 PHE A 688 10.518 -7.954 -2.164 1.00 0.81 H new ATOM 0 HD1 PHE A 688 7.269 -7.831 -3.746 1.00 1.75 H new ATOM 0 HD2 PHE A 688 9.685 -10.034 -1.015 1.00 1.41 H new ATOM 0 HE1 PHE A 688 5.791 -9.775 -4.010 1.00 2.40 H new ATOM 0 HE2 PHE A 688 8.207 -11.978 -1.276 1.00 2.00 H new ATOM 0 HZ PHE A 688 6.260 -11.853 -2.777 1.00 2.48 H new ATOM 190 N ALA A 689 10.698 -5.302 0.175 1.00 0.73 N ATOM 191 CA ALA A 689 11.277 -4.014 0.498 1.00 0.85 C ATOM 192 C ALA A 689 12.533 -3.751 -0.286 1.00 0.81 C ATOM 193 O ALA A 689 13.409 -4.608 -0.390 1.00 0.80 O ATOM 194 CB ALA A 689 11.576 -3.933 1.986 1.00 1.07 C ATOM 0 H ALA A 689 10.852 -6.019 0.884 1.00 0.73 H new ATOM 0 HA ALA A 689 10.547 -3.251 0.227 1.00 0.85 H new ATOM 0 HB1 ALA A 689 12.011 -2.961 2.217 1.00 1.07 H new ATOM 0 HB2 ALA A 689 10.652 -4.061 2.550 1.00 1.07 H new ATOM 0 HB3 ALA A 689 12.280 -4.719 2.259 1.00 1.07 H new ATOM 200 N ARG A 690 12.623 -2.557 -0.838 1.00 0.87 N ATOM 201 CA ARG A 690 13.868 -2.125 -1.420 1.00 0.87 C ATOM 202 C ARG A 690 14.522 -1.155 -0.470 1.00 0.85 C ATOM 203 O ARG A 690 14.420 0.064 -0.580 1.00 0.97 O ATOM 204 CB ARG A 690 13.652 -1.526 -2.804 1.00 1.06 C ATOM 205 CG ARG A 690 13.729 -2.571 -3.903 1.00 1.22 C ATOM 206 CD ARG A 690 12.713 -3.685 -3.720 1.00 1.47 C ATOM 207 NE ARG A 690 13.311 -4.996 -3.959 1.00 2.19 N ATOM 208 CZ ARG A 690 12.985 -5.803 -4.964 1.00 2.74 C ATOM 209 NH1 ARG A 690 12.159 -5.394 -5.917 1.00 2.85 N ATOM 210 NH2 ARG A 690 13.519 -7.012 -5.034 1.00 3.57 N ATOM 0 H ARG A 690 11.860 -1.882 -0.893 1.00 0.87 H new ATOM 0 HA ARG A 690 14.530 -2.978 -1.566 1.00 0.87 H new ATOM 0 HB2 ARG A 690 12.678 -1.037 -2.838 1.00 1.06 H new ATOM 0 HB3 ARG A 690 14.402 -0.756 -2.985 1.00 1.06 H new ATOM 0 HG2 ARG A 690 13.567 -2.091 -4.868 1.00 1.22 H new ATOM 0 HG3 ARG A 690 14.732 -2.998 -3.924 1.00 1.22 H new ATOM 0 HD2 ARG A 690 12.307 -3.647 -2.709 1.00 1.47 H new ATOM 0 HD3 ARG A 690 11.878 -3.534 -4.404 1.00 1.47 H new ATOM 0 HE ARG A 690 14.029 -5.315 -3.309 1.00 2.19 H new ATOM 0 HH11 ARG A 690 11.768 -4.453 -5.883 1.00 2.85 H new ATOM 0 HH12 ARG A 690 11.915 -6.021 -6.684 1.00 2.85 H new ATOM 0 HH21 ARG A 690 14.177 -7.321 -4.319 1.00 3.57 H new ATOM 0 HH22 ARG A 690 13.272 -7.635 -5.803 1.00 3.57 H new ATOM 224 N GLU A 691 15.191 -1.774 0.467 1.00 0.74 N ATOM 225 CA GLU A 691 15.885 -1.130 1.551 1.00 0.73 C ATOM 226 C GLU A 691 17.390 -1.163 1.307 1.00 0.72 C ATOM 227 O GLU A 691 17.834 -1.676 0.279 1.00 0.76 O ATOM 228 CB GLU A 691 15.509 -1.771 2.893 1.00 0.70 C ATOM 229 CG GLU A 691 14.058 -1.553 3.289 1.00 0.99 C ATOM 230 CD GLU A 691 13.834 -1.735 4.776 1.00 1.45 C ATOM 231 OE1 GLU A 691 13.620 -2.888 5.209 1.00 1.87 O ATOM 232 OE2 GLU A 691 13.851 -0.732 5.518 1.00 1.98 O ATOM 0 H GLU A 691 15.270 -2.790 0.496 1.00 0.74 H new ATOM 0 HA GLU A 691 15.579 -0.085 1.596 1.00 0.73 H new ATOM 0 HB2 GLU A 691 15.705 -2.842 2.842 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.154 -1.366 3.673 1.00 0.70 H new ATOM 0 HG2 GLU A 691 13.751 -0.548 2.998 1.00 0.99 H new ATOM 0 HG3 GLU A 691 13.425 -2.251 2.740 1.00 0.99 H new ATOM 239 N PRO A 692 18.168 -0.533 2.208 1.00 0.77 N ATOM 240 CA PRO A 692 19.640 -0.665 2.341 1.00 0.85 C ATOM 241 C PRO A 692 20.213 -2.097 2.148 1.00 0.85 C ATOM 242 O PRO A 692 21.394 -2.319 2.405 1.00 1.01 O ATOM 243 CB PRO A 692 19.916 -0.201 3.781 1.00 0.96 C ATOM 244 CG PRO A 692 18.603 0.241 4.347 1.00 0.96 C ATOM 245 CD PRO A 692 17.680 0.447 3.186 1.00 0.88 C ATOM 0 HA PRO A 692 20.124 -0.087 1.554 1.00 0.85 H new ATOM 0 HB2 PRO A 692 20.341 -1.011 4.374 1.00 0.96 H new ATOM 0 HB3 PRO A 692 20.638 0.616 3.793 1.00 0.96 H new ATOM 0 HG2 PRO A 692 18.204 -0.509 5.030 1.00 0.96 H new ATOM 0 HG3 PRO A 692 18.718 1.162 4.918 1.00 0.96 H new ATOM 0 HD2 PRO A 692 16.640 0.265 3.458 1.00 0.88 H new ATOM 0 HD3 PRO A 692 17.735 1.465 2.801 1.00 0.88 H new ATOM 253 N HIS A 693 19.369 -3.039 1.708 1.00 0.76 N ATOM 254 CA HIS A 693 19.602 -4.486 1.752 1.00 0.84 C ATOM 255 C HIS A 693 19.322 -5.008 3.145 1.00 0.83 C ATOM 256 O HIS A 693 20.142 -5.652 3.795 1.00 1.01 O ATOM 257 CB HIS A 693 21.023 -4.858 1.286 1.00 1.08 C ATOM 258 CG HIS A 693 21.220 -6.318 0.980 1.00 1.45 C ATOM 259 ND1 HIS A 693 21.155 -6.836 -0.294 1.00 1.93 N ATOM 260 CD2 HIS A 693 21.500 -7.368 1.789 1.00 2.20 C ATOM 261 CE1 HIS A 693 21.387 -8.133 -0.255 1.00 2.48 C ATOM 262 NE2 HIS A 693 21.602 -8.485 0.998 1.00 2.61 N ATOM 0 H HIS A 693 18.467 -2.802 1.294 1.00 0.76 H new ATOM 0 HA HIS A 693 18.914 -4.962 1.053 1.00 0.84 H new ATOM 0 HB2 HIS A 693 21.262 -4.278 0.395 1.00 1.08 H new ATOM 0 HB3 HIS A 693 21.733 -4.563 2.058 1.00 1.08 H new ATOM 0 HD2 HIS A 693 21.621 -7.333 2.862 1.00 2.20 H new ATOM 0 HE1 HIS A 693 21.399 -8.797 -1.107 1.00 2.48 H new ATOM 0 HE2 HIS A 693 21.809 -9.429 1.324 1.00 2.61 H new ATOM 271 N SER A 694 18.131 -4.654 3.593 1.00 0.71 N ATOM 272 CA SER A 694 17.487 -5.283 4.713 1.00 0.76 C ATOM 273 C SER A 694 16.527 -6.363 4.189 1.00 0.68 C ATOM 274 O SER A 694 16.469 -6.614 2.982 1.00 0.62 O ATOM 275 CB SER A 694 16.737 -4.227 5.517 1.00 0.82 C ATOM 276 OG SER A 694 17.609 -3.184 5.929 1.00 1.14 O ATOM 0 H SER A 694 17.580 -3.905 3.174 1.00 0.71 H new ATOM 0 HA SER A 694 18.222 -5.754 5.365 1.00 0.76 H new ATOM 0 HB2 SER A 694 15.929 -3.813 4.914 1.00 0.82 H new ATOM 0 HB3 SER A 694 16.278 -4.689 6.391 1.00 0.82 H new ATOM 0 HG SER A 694 17.104 -2.519 6.441 1.00 1.14 H new ATOM 282 N LYS A 695 15.795 -7.004 5.087 1.00 0.75 N ATOM 283 CA LYS A 695 14.886 -8.092 4.714 1.00 0.73 C ATOM 284 C LYS A 695 13.590 -7.527 4.136 1.00 0.59 C ATOM 285 O LYS A 695 13.274 -6.359 4.357 1.00 0.56 O ATOM 286 CB LYS A 695 14.545 -8.973 5.930 1.00 0.91 C ATOM 287 CG LYS A 695 15.722 -9.278 6.837 1.00 1.71 C ATOM 288 CD LYS A 695 16.018 -8.104 7.759 1.00 2.33 C ATOM 289 CE LYS A 695 15.641 -8.394 9.206 1.00 3.33 C ATOM 290 NZ LYS A 695 14.170 -8.405 9.418 1.00 4.08 N ATOM 0 H LYS A 695 15.809 -6.793 6.085 1.00 0.75 H new ATOM 0 HA LYS A 695 15.393 -8.700 3.964 1.00 0.73 H new ATOM 0 HB2 LYS A 695 13.770 -8.478 6.516 1.00 0.91 H new ATOM 0 HB3 LYS A 695 14.124 -9.913 5.574 1.00 0.91 H new ATOM 0 HG2 LYS A 695 15.507 -10.166 7.431 1.00 1.71 H new ATOM 0 HG3 LYS A 695 16.602 -9.502 6.234 1.00 1.71 H new ATOM 0 HD2 LYS A 695 17.079 -7.861 7.704 1.00 2.33 H new ATOM 0 HD3 LYS A 695 15.472 -7.227 7.413 1.00 2.33 H new ATOM 0 HE2 LYS A 695 16.055 -9.359 9.500 1.00 3.33 H new ATOM 0 HE3 LYS A 695 16.093 -7.643 9.854 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 13.965 -8.607 10.417 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 13.776 -7.477 9.164 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 13.739 -9.139 8.821 1.00 4.08 H new ATOM 304 N PRO A 696 12.825 -8.340 3.378 1.00 0.58 N ATOM 305 CA PRO A 696 11.524 -7.916 2.850 1.00 0.49 C ATOM 306 C PRO A 696 10.545 -7.591 3.974 1.00 0.45 C ATOM 307 O PRO A 696 10.566 -8.235 5.025 1.00 0.57 O ATOM 308 CB PRO A 696 11.043 -9.118 2.027 1.00 0.63 C ATOM 309 CG PRO A 696 12.269 -9.928 1.772 1.00 0.94 C ATOM 310 CD PRO A 696 13.165 -9.708 2.959 1.00 0.74 C ATOM 0 HA PRO A 696 11.596 -7.005 2.256 1.00 0.49 H new ATOM 0 HB2 PRO A 696 10.295 -9.695 2.571 1.00 0.63 H new ATOM 0 HB3 PRO A 696 10.581 -8.797 1.093 1.00 0.63 H new ATOM 0 HG2 PRO A 696 12.023 -10.984 1.659 1.00 0.94 H new ATOM 0 HG3 PRO A 696 12.759 -9.615 0.850 1.00 0.94 H new ATOM 0 HD2 PRO A 696 12.972 -10.433 3.750 1.00 0.74 H new ATOM 0 HD3 PRO A 696 14.218 -9.799 2.693 1.00 0.74 H new ATOM 318 N ILE A 697 9.675 -6.610 3.752 1.00 0.46 N ATOM 319 CA ILE A 697 8.954 -6.000 4.854 1.00 0.56 C ATOM 320 C ILE A 697 7.466 -5.829 4.590 1.00 0.51 C ATOM 321 O ILE A 697 7.050 -5.295 3.572 1.00 0.63 O ATOM 322 CB ILE A 697 9.593 -4.637 5.222 1.00 0.82 C ATOM 323 CG1 ILE A 697 10.846 -4.886 6.052 1.00 1.02 C ATOM 324 CG2 ILE A 697 8.619 -3.751 5.995 1.00 1.01 C ATOM 325 CD1 ILE A 697 10.553 -5.611 7.349 1.00 1.15 C ATOM 0 H ILE A 697 9.457 -6.228 2.832 1.00 0.46 H new ATOM 0 HA ILE A 697 9.038 -6.690 5.694 1.00 0.56 H new ATOM 0 HB ILE A 697 9.851 -4.113 4.301 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.555 -5.471 5.466 1.00 1.02 H new ATOM 0 HG13 ILE A 697 11.325 -3.933 6.274 1.00 1.02 H new ATOM 0 HG21 ILE A 697 9.102 -2.804 6.236 1.00 1.01 H new ATOM 0 HG22 ILE A 697 7.735 -3.563 5.385 1.00 1.01 H new ATOM 0 HG23 ILE A 697 8.324 -4.253 6.917 1.00 1.01 H new ATOM 0 HD11 ILE A 697 11.482 -5.762 7.899 1.00 1.15 H new ATOM 0 HD12 ILE A 697 9.867 -5.016 7.951 1.00 1.15 H new ATOM 0 HD13 ILE A 697 10.100 -6.578 7.131 1.00 1.15 H new ATOM 337 N LYS A 698 6.670 -6.302 5.526 1.00 0.56 N ATOM 338 CA LYS A 698 5.262 -5.988 5.550 1.00 0.65 C ATOM 339 C LYS A 698 5.010 -4.883 6.574 1.00 0.46 C ATOM 340 O LYS A 698 5.345 -5.033 7.751 1.00 0.52 O ATOM 341 CB LYS A 698 4.435 -7.243 5.861 1.00 1.04 C ATOM 342 CG LYS A 698 4.865 -8.010 7.107 1.00 1.91 C ATOM 343 CD LYS A 698 3.991 -7.662 8.305 1.00 2.12 C ATOM 344 CE LYS A 698 4.460 -8.357 9.572 1.00 2.62 C ATOM 345 NZ LYS A 698 5.799 -7.879 10.007 1.00 3.17 N ATOM 0 H LYS A 698 6.980 -6.910 6.284 1.00 0.56 H new ATOM 0 HA LYS A 698 4.950 -5.631 4.569 1.00 0.65 H new ATOM 0 HB2 LYS A 698 3.391 -6.952 5.975 1.00 1.04 H new ATOM 0 HB3 LYS A 698 4.487 -7.915 5.004 1.00 1.04 H new ATOM 0 HG2 LYS A 698 4.809 -9.081 6.914 1.00 1.91 H new ATOM 0 HG3 LYS A 698 5.906 -7.781 7.336 1.00 1.91 H new ATOM 0 HD2 LYS A 698 4.000 -6.583 8.459 1.00 2.12 H new ATOM 0 HD3 LYS A 698 2.960 -7.946 8.096 1.00 2.12 H new ATOM 0 HE2 LYS A 698 3.737 -8.184 10.369 1.00 2.62 H new ATOM 0 HE3 LYS A 698 4.497 -9.433 9.403 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 6.000 -8.234 10.964 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 6.523 -8.229 9.348 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 5.811 -6.839 10.014 1.00 3.17 H new ATOM 359 N PHE A 699 4.467 -3.758 6.131 1.00 0.41 N ATOM 360 CA PHE A 699 4.229 -2.650 7.038 1.00 0.33 C ATOM 361 C PHE A 699 2.744 -2.436 7.226 1.00 0.32 C ATOM 362 O PHE A 699 1.974 -2.482 6.268 1.00 0.33 O ATOM 363 CB PHE A 699 4.858 -1.358 6.510 1.00 0.41 C ATOM 364 CG PHE A 699 5.392 -0.465 7.591 1.00 0.77 C ATOM 365 CD1 PHE A 699 4.602 0.526 8.143 1.00 1.08 C ATOM 366 CD2 PHE A 699 6.689 -0.620 8.054 1.00 1.27 C ATOM 367 CE1 PHE A 699 5.094 1.352 9.136 1.00 1.58 C ATOM 368 CE2 PHE A 699 7.188 0.201 9.047 1.00 1.76 C ATOM 369 CZ PHE A 699 6.389 1.187 9.590 1.00 1.84 C ATOM 0 H PHE A 699 4.187 -3.591 5.164 1.00 0.41 H new ATOM 0 HA PHE A 699 4.689 -2.901 7.994 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.668 -1.611 5.826 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.113 -0.810 5.933 1.00 0.41 H new ATOM 0 HD1 PHE A 699 3.588 0.656 7.794 1.00 1.08 H new ATOM 0 HD2 PHE A 699 7.317 -1.392 7.634 1.00 1.27 H new ATOM 0 HE1 PHE A 699 4.468 2.125 9.556 1.00 1.58 H new ATOM 0 HE2 PHE A 699 8.201 0.072 9.398 1.00 1.76 H new ATOM 0 HZ PHE A 699 6.775 1.828 10.368 1.00 1.84 H new ATOM 379 N LEU A 700 2.342 -2.207 8.459 1.00 0.32 N ATOM 380 CA LEU A 700 0.987 -1.805 8.726 1.00 0.31 C ATOM 381 C LEU A 700 0.931 -0.293 8.738 1.00 0.28 C ATOM 382 O LEU A 700 1.384 0.354 9.683 1.00 0.34 O ATOM 383 CB LEU A 700 0.513 -2.385 10.069 1.00 0.38 C ATOM 384 CG LEU A 700 -0.700 -1.699 10.718 1.00 0.49 C ATOM 385 CD1 LEU A 700 -1.897 -1.681 9.782 1.00 0.98 C ATOM 386 CD2 LEU A 700 -1.054 -2.390 12.023 1.00 0.73 C ATOM 0 H LEU A 700 2.935 -2.293 9.285 1.00 0.32 H new ATOM 0 HA LEU A 700 0.322 -2.187 7.951 1.00 0.31 H new ATOM 0 HB2 LEU A 700 0.272 -3.438 9.921 1.00 0.38 H new ATOM 0 HB3 LEU A 700 1.345 -2.345 10.772 1.00 0.38 H new ATOM 0 HG LEU A 700 -0.430 -0.664 10.926 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -2.736 -1.189 10.274 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -1.640 -1.138 8.873 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -2.175 -2.704 9.527 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -1.914 -1.896 12.474 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -1.296 -3.435 11.828 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -0.206 -2.336 12.705 1.00 0.73 H new ATOM 398 N VAL A 701 0.387 0.266 7.677 1.00 0.25 N ATOM 399 CA VAL A 701 0.139 1.679 7.631 1.00 0.27 C ATOM 400 C VAL A 701 -1.354 1.927 7.755 1.00 0.24 C ATOM 401 O VAL A 701 -2.134 1.535 6.887 1.00 0.28 O ATOM 402 CB VAL A 701 0.654 2.337 6.333 1.00 0.35 C ATOM 403 CG1 VAL A 701 2.167 2.464 6.351 1.00 0.36 C ATOM 404 CG2 VAL A 701 0.191 1.551 5.118 1.00 0.41 C ATOM 0 H VAL A 701 0.110 -0.243 6.838 1.00 0.25 H new ATOM 0 HA VAL A 701 0.683 2.130 8.461 1.00 0.27 H new ATOM 0 HB VAL A 701 0.236 3.342 6.271 1.00 0.35 H new ATOM 0 HG11 VAL A 701 2.504 2.931 5.425 1.00 0.36 H new ATOM 0 HG12 VAL A 701 2.470 3.079 7.199 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.614 1.474 6.442 1.00 0.36 H new ATOM 0 HG21 VAL A 701 0.563 2.029 4.212 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.576 0.533 5.175 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -0.898 1.526 5.094 1.00 0.41 H new ATOM 414 N SER A 702 -1.783 2.537 8.835 1.00 0.26 N ATOM 415 CA SER A 702 -3.171 2.913 8.912 1.00 0.27 C ATOM 416 C SER A 702 -3.381 4.150 8.079 1.00 0.28 C ATOM 417 O SER A 702 -2.954 5.243 8.453 1.00 0.34 O ATOM 418 CB SER A 702 -3.583 3.163 10.361 1.00 0.34 C ATOM 419 OG SER A 702 -4.844 3.813 10.438 1.00 1.39 O ATOM 0 H SER A 702 -1.212 2.776 9.646 1.00 0.26 H new ATOM 0 HA SER A 702 -3.792 2.103 8.529 1.00 0.27 H new ATOM 0 HB2 SER A 702 -3.628 2.215 10.897 1.00 0.34 H new ATOM 0 HB3 SER A 702 -2.827 3.773 10.855 1.00 0.34 H new ATOM 0 HG SER A 702 -5.088 3.943 11.378 1.00 1.39 H new ATOM 425 N VAL A 703 -4.025 3.973 6.937 1.00 0.28 N ATOM 426 CA VAL A 703 -4.368 5.076 6.089 1.00 0.34 C ATOM 427 C VAL A 703 -5.627 4.733 5.334 1.00 0.36 C ATOM 428 O VAL A 703 -5.888 3.577 5.003 1.00 0.40 O ATOM 429 CB VAL A 703 -3.268 5.437 5.054 1.00 0.42 C ATOM 430 CG1 VAL A 703 -3.453 6.856 4.541 1.00 0.77 C ATOM 431 CG2 VAL A 703 -1.866 5.244 5.606 1.00 0.56 C ATOM 0 H VAL A 703 -4.318 3.062 6.583 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.495 5.941 6.740 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.380 4.745 4.219 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -2.671 7.086 3.817 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -4.428 6.946 4.062 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -3.393 7.555 5.375 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.135 5.510 4.843 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -1.728 5.882 6.479 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -1.728 4.201 5.893 1.00 0.56 H new ATOM 441 N SER A 704 -6.368 5.747 5.048 1.00 0.44 N ATOM 442 CA SER A 704 -7.503 5.675 4.183 1.00 0.48 C ATOM 443 C SER A 704 -7.266 6.732 3.149 1.00 0.66 C ATOM 444 O SER A 704 -6.328 7.517 3.293 1.00 0.82 O ATOM 445 CB SER A 704 -8.753 5.997 4.969 1.00 0.49 C ATOM 446 OG SER A 704 -8.649 7.272 5.582 1.00 1.19 O ATOM 0 H SER A 704 -6.198 6.681 5.420 1.00 0.44 H new ATOM 0 HA SER A 704 -7.631 4.687 3.740 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.619 5.976 4.308 1.00 0.49 H new ATOM 0 HB3 SER A 704 -8.915 5.235 5.731 1.00 0.49 H new ATOM 0 HG SER A 704 -9.489 7.763 5.461 1.00 1.19 H new ATOM 452 N LYS A 705 -8.058 6.790 2.120 1.00 0.87 N ATOM 453 CA LYS A 705 -7.948 7.942 1.262 1.00 1.08 C ATOM 454 C LYS A 705 -8.609 9.123 1.949 1.00 0.96 C ATOM 455 O LYS A 705 -9.812 9.366 1.820 1.00 1.22 O ATOM 456 CB LYS A 705 -8.520 7.701 -0.139 1.00 1.57 C ATOM 457 CG LYS A 705 -10.008 7.406 -0.193 1.00 2.47 C ATOM 458 CD LYS A 705 -10.685 8.142 -1.341 1.00 3.17 C ATOM 459 CE LYS A 705 -10.495 9.650 -1.235 1.00 3.91 C ATOM 460 NZ LYS A 705 -11.340 10.392 -2.208 1.00 4.66 N ATOM 0 H LYS A 705 -8.756 6.094 1.858 1.00 0.87 H new ATOM 0 HA LYS A 705 -6.891 8.156 1.102 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -8.319 8.580 -0.751 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -7.985 6.867 -0.593 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -10.163 6.333 -0.307 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -10.471 7.697 0.750 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -10.278 7.790 -2.289 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -11.750 7.909 -1.345 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -10.738 9.975 -0.223 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -9.447 9.895 -1.405 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -11.178 11.414 -2.100 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -11.091 10.102 -3.175 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -12.342 10.180 -2.030 1.00 4.66 H new ATOM 474 N GLU A 706 -7.810 9.814 2.744 1.00 0.96 N ATOM 475 CA GLU A 706 -8.159 11.126 3.233 1.00 1.16 C ATOM 476 C GLU A 706 -8.472 12.039 2.054 1.00 1.49 C ATOM 477 O GLU A 706 -8.367 11.638 0.892 1.00 1.84 O ATOM 478 CB GLU A 706 -7.022 11.689 4.090 1.00 1.55 C ATOM 479 CG GLU A 706 -6.724 10.838 5.315 1.00 1.85 C ATOM 480 CD GLU A 706 -5.703 11.461 6.247 1.00 2.27 C ATOM 481 OE1 GLU A 706 -4.544 10.992 6.262 1.00 2.69 O ATOM 482 OE2 GLU A 706 -6.037 12.444 6.940 1.00 2.79 O ATOM 0 H GLU A 706 -6.903 9.477 3.065 1.00 0.96 H new ATOM 0 HA GLU A 706 -9.046 11.060 3.863 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -6.121 11.769 3.482 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -7.281 12.698 4.410 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -7.650 10.668 5.864 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -6.362 9.862 4.991 1.00 1.85 H new ATOM 489 N ASN A 707 -8.851 13.262 2.360 1.00 1.81 N ATOM 490 CA ASN A 707 -9.513 14.133 1.399 1.00 2.13 C ATOM 491 C ASN A 707 -8.681 14.471 0.157 1.00 1.71 C ATOM 492 O ASN A 707 -9.165 15.209 -0.701 1.00 1.87 O ATOM 493 CB ASN A 707 -9.974 15.419 2.087 1.00 2.79 C ATOM 494 CG ASN A 707 -11.265 15.223 2.861 1.00 3.37 C ATOM 495 OD1 ASN A 707 -11.257 14.819 4.025 1.00 3.87 O ATOM 496 ND2 ASN A 707 -12.385 15.523 2.225 1.00 3.89 N ATOM 0 H ASN A 707 -8.711 13.684 3.278 1.00 1.81 H new ATOM 0 HA ASN A 707 -10.367 13.565 1.032 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -9.195 15.766 2.765 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -10.116 16.199 1.339 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -13.283 15.423 2.698 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -12.351 15.855 1.261 1.00 3.89 H new ATOM 503 N SER A 708 -7.463 13.938 0.010 1.00 1.30 N ATOM 504 CA SER A 708 -6.684 14.296 -1.163 1.00 1.07 C ATOM 505 C SER A 708 -6.550 13.145 -2.161 1.00 0.94 C ATOM 506 O SER A 708 -7.007 13.256 -3.298 1.00 1.14 O ATOM 507 CB SER A 708 -5.283 14.721 -0.720 1.00 1.20 C ATOM 508 OG SER A 708 -5.349 15.664 0.340 1.00 1.82 O ATOM 0 H SER A 708 -7.018 13.288 0.658 1.00 1.30 H new ATOM 0 HA SER A 708 -7.211 15.109 -1.664 1.00 1.07 H new ATOM 0 HB2 SER A 708 -4.718 13.846 -0.398 1.00 1.20 H new ATOM 0 HB3 SER A 708 -4.746 15.154 -1.564 1.00 1.20 H new ATOM 0 HG SER A 708 -4.442 15.920 0.607 1.00 1.82 H new ATOM 514 N THR A 709 -5.945 12.040 -1.753 1.00 0.79 N ATOM 515 CA THR A 709 -5.800 10.910 -2.652 1.00 0.73 C ATOM 516 C THR A 709 -5.965 9.563 -1.940 1.00 0.64 C ATOM 517 O THR A 709 -5.940 9.494 -0.715 1.00 0.67 O ATOM 518 CB THR A 709 -4.468 10.987 -3.424 1.00 0.81 C ATOM 519 OG1 THR A 709 -4.298 9.833 -4.251 1.00 0.90 O ATOM 520 CG2 THR A 709 -3.293 11.135 -2.479 1.00 0.85 C ATOM 0 H THR A 709 -5.553 11.904 -0.821 1.00 0.79 H new ATOM 0 HA THR A 709 -6.614 10.972 -3.375 1.00 0.73 H new ATOM 0 HB THR A 709 -4.503 11.871 -4.060 1.00 0.81 H new ATOM 0 HG1 THR A 709 -3.644 10.028 -4.954 1.00 0.90 H new ATOM 0 HG21 THR A 709 -2.368 11.187 -3.054 1.00 0.85 H new ATOM 0 HG22 THR A 709 -3.409 12.048 -1.895 1.00 0.85 H new ATOM 0 HG23 THR A 709 -3.256 10.277 -1.808 1.00 0.85 H new ATOM 528 N ALA A 710 -6.126 8.494 -2.721 1.00 0.68 N ATOM 529 CA ALA A 710 -6.031 7.131 -2.201 1.00 0.65 C ATOM 530 C ALA A 710 -4.570 6.752 -2.001 1.00 0.48 C ATOM 531 O ALA A 710 -4.230 5.866 -1.222 1.00 0.46 O ATOM 532 CB ALA A 710 -6.699 6.141 -3.143 1.00 0.86 C ATOM 0 H ALA A 710 -6.324 8.547 -3.720 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.548 7.094 -1.242 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -6.614 5.135 -2.733 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -7.752 6.400 -3.256 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -6.210 6.178 -4.117 1.00 0.86 H new ATOM 538 N SER A 711 -3.729 7.457 -2.731 1.00 0.49 N ATOM 539 CA SER A 711 -2.297 7.195 -2.817 1.00 0.51 C ATOM 540 C SER A 711 -1.603 7.361 -1.472 1.00 0.43 C ATOM 541 O SER A 711 -0.561 6.762 -1.232 1.00 0.43 O ATOM 542 CB SER A 711 -1.654 8.108 -3.860 1.00 0.70 C ATOM 543 OG SER A 711 -2.277 7.950 -5.123 1.00 1.55 O ATOM 0 H SER A 711 -4.026 8.251 -3.298 1.00 0.49 H new ATOM 0 HA SER A 711 -2.173 6.156 -3.122 1.00 0.51 H new ATOM 0 HB2 SER A 711 -1.733 9.146 -3.538 1.00 0.70 H new ATOM 0 HB3 SER A 711 -0.591 7.880 -3.943 1.00 0.70 H new ATOM 0 HG SER A 711 -1.851 8.545 -5.775 1.00 1.55 H new ATOM 549 N GLU A 712 -2.182 8.188 -0.608 1.00 0.43 N ATOM 550 CA GLU A 712 -1.596 8.504 0.687 1.00 0.46 C ATOM 551 C GLU A 712 -1.290 7.232 1.482 1.00 0.39 C ATOM 552 O GLU A 712 -0.356 7.206 2.289 1.00 0.42 O ATOM 553 CB GLU A 712 -2.540 9.424 1.471 1.00 0.56 C ATOM 554 CG GLU A 712 -2.825 10.737 0.748 1.00 0.67 C ATOM 555 CD GLU A 712 -3.541 11.762 1.601 1.00 1.19 C ATOM 556 OE1 GLU A 712 -2.911 12.314 2.528 1.00 1.54 O ATOM 557 OE2 GLU A 712 -4.721 12.052 1.320 1.00 1.78 O ATOM 0 H GLU A 712 -3.070 8.657 -0.787 1.00 0.43 H new ATOM 0 HA GLU A 712 -0.651 9.022 0.524 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.480 8.903 1.651 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -2.103 9.639 2.446 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -1.883 11.161 0.401 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -3.427 10.530 -0.137 1.00 0.67 H new ATOM 564 N VAL A 713 -2.071 6.180 1.253 1.00 0.34 N ATOM 565 CA VAL A 713 -1.815 4.899 1.888 1.00 0.33 C ATOM 566 C VAL A 713 -0.499 4.283 1.389 1.00 0.29 C ATOM 567 O VAL A 713 0.327 3.837 2.183 1.00 0.29 O ATOM 568 CB VAL A 713 -2.993 3.910 1.679 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.289 4.553 2.121 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.121 3.427 0.240 1.00 0.40 C ATOM 0 H VAL A 713 -2.882 6.193 0.635 1.00 0.34 H new ATOM 0 HA VAL A 713 -1.721 5.085 2.958 1.00 0.33 H new ATOM 0 HB VAL A 713 -2.779 3.032 2.289 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.112 3.854 1.972 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.223 4.816 3.177 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.467 5.454 1.533 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -3.963 2.739 0.161 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.287 4.281 -0.417 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.205 2.915 -0.055 1.00 0.40 H new ATOM 580 N LEU A 714 -0.301 4.285 0.074 1.00 0.33 N ATOM 581 CA LEU A 714 0.913 3.745 -0.530 1.00 0.37 C ATOM 582 C LEU A 714 2.086 4.658 -0.200 1.00 0.34 C ATOM 583 O LEU A 714 3.225 4.219 -0.047 1.00 0.37 O ATOM 584 CB LEU A 714 0.738 3.589 -2.049 1.00 0.46 C ATOM 585 CG LEU A 714 1.321 4.707 -2.913 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.763 4.399 -3.273 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.487 4.905 -4.163 1.00 0.84 C ATOM 0 H LEU A 714 -0.971 4.658 -0.598 1.00 0.33 H new ATOM 0 HA LEU A 714 1.113 2.754 -0.122 1.00 0.37 H new ATOM 0 HB2 LEU A 714 1.196 2.647 -2.352 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.327 3.509 -2.265 1.00 0.46 H new ATOM 0 HG LEU A 714 1.300 5.634 -2.340 1.00 0.45 H new ATOM 0 HD11 LEU A 714 3.164 5.204 -3.888 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.354 4.309 -2.362 1.00 0.64 H new ATOM 0 HD13 LEU A 714 2.807 3.462 -3.828 1.00 0.64 H new ATOM 0 HD21 LEU A 714 0.918 5.705 -4.765 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.474 3.982 -4.742 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.532 5.171 -3.882 1.00 0.84 H new ATOM 599 N ASP A 715 1.785 5.945 -0.140 1.00 0.32 N ATOM 600 CA ASP A 715 2.748 6.965 0.236 1.00 0.34 C ATOM 601 C ASP A 715 3.332 6.663 1.611 1.00 0.32 C ATOM 602 O ASP A 715 4.523 6.850 1.851 1.00 0.36 O ATOM 603 CB ASP A 715 2.044 8.314 0.235 1.00 0.40 C ATOM 604 CG ASP A 715 2.934 9.463 0.660 1.00 0.99 C ATOM 605 OD1 ASP A 715 3.712 9.960 -0.182 1.00 1.94 O ATOM 606 OD2 ASP A 715 2.832 9.898 1.824 1.00 1.37 O ATOM 0 H ASP A 715 0.858 6.313 -0.353 1.00 0.32 H new ATOM 0 HA ASP A 715 3.572 6.980 -0.477 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.660 8.513 -0.766 1.00 0.40 H new ATOM 0 HB3 ASP A 715 1.184 8.266 0.902 1.00 0.40 H new ATOM 611 N SER A 716 2.485 6.166 2.503 1.00 0.28 N ATOM 612 CA SER A 716 2.918 5.718 3.807 1.00 0.28 C ATOM 613 C SER A 716 3.881 4.539 3.675 1.00 0.30 C ATOM 614 O SER A 716 4.867 4.424 4.407 1.00 0.33 O ATOM 615 CB SER A 716 1.690 5.330 4.612 1.00 0.29 C ATOM 616 OG SER A 716 0.923 6.478 4.944 1.00 0.41 O ATOM 0 H SER A 716 1.484 6.065 2.338 1.00 0.28 H new ATOM 0 HA SER A 716 3.452 6.519 4.319 1.00 0.28 H new ATOM 0 HB2 SER A 716 1.079 4.632 4.039 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.994 4.814 5.523 1.00 0.29 H new ATOM 0 HG SER A 716 0.460 6.804 4.144 1.00 0.41 H new ATOM 622 N LEU A 717 3.572 3.667 2.732 1.00 0.32 N ATOM 623 CA LEU A 717 4.352 2.476 2.469 1.00 0.39 C ATOM 624 C LEU A 717 5.749 2.809 1.954 1.00 0.37 C ATOM 625 O LEU A 717 6.749 2.402 2.543 1.00 0.43 O ATOM 626 CB LEU A 717 3.606 1.664 1.428 1.00 0.52 C ATOM 627 CG LEU A 717 2.823 0.479 1.974 1.00 0.75 C ATOM 628 CD1 LEU A 717 3.070 0.320 3.465 1.00 1.42 C ATOM 629 CD2 LEU A 717 1.348 0.661 1.679 1.00 1.42 C ATOM 0 H LEU A 717 2.762 3.769 2.121 1.00 0.32 H new ATOM 0 HA LEU A 717 4.479 1.919 3.397 1.00 0.39 H new ATOM 0 HB2 LEU A 717 2.917 2.323 0.901 1.00 0.52 H new ATOM 0 HB3 LEU A 717 4.323 1.298 0.693 1.00 0.52 H new ATOM 0 HG LEU A 717 3.163 -0.433 1.483 1.00 0.75 H new ATOM 0 HD11 LEU A 717 2.502 -0.532 3.839 1.00 1.42 H new ATOM 0 HD12 LEU A 717 4.133 0.154 3.642 1.00 1.42 H new ATOM 0 HD13 LEU A 717 2.752 1.224 3.985 1.00 1.42 H new ATOM 0 HD21 LEU A 717 0.791 -0.190 2.072 1.00 1.42 H new ATOM 0 HD22 LEU A 717 0.993 1.577 2.151 1.00 1.42 H new ATOM 0 HD23 LEU A 717 1.198 0.727 0.601 1.00 1.42 H new ATOM 641 N SER A 718 5.810 3.545 0.854 1.00 0.33 N ATOM 642 CA SER A 718 7.073 3.986 0.294 1.00 0.38 C ATOM 643 C SER A 718 7.913 4.785 1.299 1.00 0.30 C ATOM 644 O SER A 718 9.129 4.605 1.372 1.00 0.31 O ATOM 645 CB SER A 718 6.802 4.814 -0.953 1.00 0.50 C ATOM 646 OG SER A 718 5.766 5.755 -0.725 1.00 1.52 O ATOM 0 H SER A 718 4.990 3.850 0.330 1.00 0.33 H new ATOM 0 HA SER A 718 7.656 3.102 0.037 1.00 0.38 H new ATOM 0 HB2 SER A 718 7.711 5.335 -1.252 1.00 0.50 H new ATOM 0 HB3 SER A 718 6.525 4.156 -1.777 1.00 0.50 H new ATOM 0 HG SER A 718 6.111 6.662 -0.866 1.00 1.52 H new ATOM 652 N GLN A 719 7.278 5.657 2.082 1.00 0.29 N ATOM 653 CA GLN A 719 8.020 6.496 3.019 1.00 0.31 C ATOM 654 C GLN A 719 8.616 5.649 4.140 1.00 0.35 C ATOM 655 O GLN A 719 9.670 5.977 4.680 1.00 0.41 O ATOM 656 CB GLN A 719 7.144 7.614 3.599 1.00 0.37 C ATOM 657 CG GLN A 719 6.359 7.199 4.827 1.00 0.39 C ATOM 658 CD GLN A 719 5.659 8.362 5.495 1.00 0.48 C ATOM 659 OE1 GLN A 719 4.503 8.661 5.202 1.00 1.10 O ATOM 660 NE2 GLN A 719 6.364 9.037 6.387 1.00 1.35 N ATOM 0 H GLN A 719 6.268 5.799 2.086 1.00 0.29 H new ATOM 0 HA GLN A 719 8.831 6.968 2.464 1.00 0.31 H new ATOM 0 HB2 GLN A 719 7.777 8.464 3.854 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.448 7.953 2.832 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.620 6.450 4.544 1.00 0.39 H new ATOM 0 HG3 GLN A 719 7.033 6.727 5.542 1.00 0.39 H new ATOM 0 HE21 GLN A 719 7.321 8.755 6.601 1.00 1.35 H new ATOM 0 HE22 GLN A 719 5.951 9.840 6.862 1.00 1.35 H new ATOM 669 N SER A 720 7.931 4.566 4.486 1.00 0.35 N ATOM 670 CA SER A 720 8.456 3.592 5.434 1.00 0.45 C ATOM 671 C SER A 720 9.733 2.955 4.895 1.00 0.49 C ATOM 672 O SER A 720 10.589 2.488 5.645 1.00 0.60 O ATOM 673 CB SER A 720 7.399 2.527 5.682 1.00 0.50 C ATOM 674 OG SER A 720 6.283 3.077 6.364 1.00 0.51 O ATOM 0 H SER A 720 7.006 4.340 4.122 1.00 0.35 H new ATOM 0 HA SER A 720 8.699 4.093 6.371 1.00 0.45 H new ATOM 0 HB2 SER A 720 7.077 2.099 4.733 1.00 0.50 H new ATOM 0 HB3 SER A 720 7.826 1.714 6.269 1.00 0.50 H new ATOM 0 HG SER A 720 5.726 3.577 5.731 1.00 0.51 H new ATOM 680 N VAL A 721 9.843 2.962 3.582 1.00 0.45 N ATOM 681 CA VAL A 721 10.998 2.431 2.887 1.00 0.54 C ATOM 682 C VAL A 721 12.032 3.543 2.648 1.00 0.53 C ATOM 683 O VAL A 721 13.155 3.299 2.205 1.00 0.67 O ATOM 684 CB VAL A 721 10.541 1.804 1.552 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.716 1.369 0.708 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.608 0.638 1.812 1.00 0.70 C ATOM 0 H VAL A 721 9.127 3.340 2.962 1.00 0.45 H new ATOM 0 HA VAL A 721 11.472 1.661 3.496 1.00 0.54 H new ATOM 0 HB VAL A 721 10.003 2.568 0.991 1.00 0.58 H new ATOM 0 HG11 VAL A 721 11.354 0.933 -0.223 1.00 0.65 H new ATOM 0 HG12 VAL A 721 12.343 2.232 0.485 1.00 0.65 H new ATOM 0 HG13 VAL A 721 12.300 0.627 1.253 1.00 0.65 H new ATOM 0 HG21 VAL A 721 9.293 0.205 0.862 1.00 0.70 H new ATOM 0 HG22 VAL A 721 10.126 -0.118 2.402 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.733 0.988 2.359 1.00 0.70 H new ATOM 696 N HIS A 722 11.639 4.767 3.011 1.00 0.44 N ATOM 697 CA HIS A 722 12.468 5.962 2.824 1.00 0.50 C ATOM 698 C HIS A 722 12.684 6.244 1.348 1.00 0.47 C ATOM 699 O HIS A 722 13.699 6.810 0.944 1.00 0.60 O ATOM 700 CB HIS A 722 13.822 5.811 3.527 1.00 0.69 C ATOM 701 CG HIS A 722 13.792 6.108 4.995 1.00 1.37 C ATOM 702 ND1 HIS A 722 14.550 7.109 5.568 1.00 2.03 N ATOM 703 CD2 HIS A 722 13.112 5.526 6.014 1.00 2.30 C ATOM 704 CE1 HIS A 722 14.340 7.130 6.870 1.00 2.74 C ATOM 705 NE2 HIS A 722 13.473 6.181 7.166 1.00 2.91 N ATOM 0 H HIS A 722 10.735 4.958 3.444 1.00 0.44 H new ATOM 0 HA HIS A 722 11.936 6.803 3.270 1.00 0.50 H new ATOM 0 HB2 HIS A 722 14.182 4.792 3.382 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.542 6.475 3.049 1.00 0.69 H new ATOM 0 HD2 HIS A 722 12.418 4.703 5.935 1.00 2.30 H new ATOM 0 HE1 HIS A 722 14.799 7.808 7.574 1.00 2.74 H new ATOM 0 HE2 HIS A 722 13.126 5.968 8.101 1.00 2.91 H new ATOM 714 N VAL A 723 11.697 5.882 0.557 1.00 0.36 N ATOM 715 CA VAL A 723 11.753 6.074 -0.875 1.00 0.39 C ATOM 716 C VAL A 723 10.459 6.710 -1.365 1.00 0.36 C ATOM 717 O VAL A 723 9.429 6.641 -0.694 1.00 0.34 O ATOM 718 CB VAL A 723 11.987 4.741 -1.613 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.768 3.838 -1.499 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.364 4.984 -3.066 1.00 0.62 C ATOM 0 H VAL A 723 10.836 5.447 0.888 1.00 0.36 H new ATOM 0 HA VAL A 723 12.592 6.735 -1.091 1.00 0.39 H new ATOM 0 HB VAL A 723 12.823 4.230 -1.136 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.957 2.904 -2.027 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.569 3.627 -0.448 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.904 4.336 -1.939 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.524 4.028 -3.565 1.00 0.62 H new ATOM 0 HG22 VAL A 723 11.559 5.524 -3.565 1.00 0.62 H new ATOM 0 HG23 VAL A 723 13.279 5.574 -3.111 1.00 0.62 H new ATOM 730 N LYS A 724 10.535 7.379 -2.500 1.00 0.45 N ATOM 731 CA LYS A 724 9.355 7.934 -3.143 1.00 0.52 C ATOM 732 C LYS A 724 8.373 6.810 -3.500 1.00 0.44 C ATOM 733 O LYS A 724 8.781 5.656 -3.670 1.00 0.37 O ATOM 734 CB LYS A 724 9.757 8.724 -4.399 1.00 0.67 C ATOM 735 CG LYS A 724 10.363 10.100 -4.117 1.00 1.41 C ATOM 736 CD LYS A 724 11.666 10.025 -3.327 1.00 1.48 C ATOM 737 CE LYS A 724 12.787 9.366 -4.119 1.00 0.91 C ATOM 738 NZ LYS A 724 13.206 10.185 -5.288 1.00 1.46 N ATOM 0 H LYS A 724 11.407 7.553 -3.000 1.00 0.45 H new ATOM 0 HA LYS A 724 8.862 8.617 -2.452 1.00 0.52 H new ATOM 0 HB2 LYS A 724 10.475 8.135 -4.969 1.00 0.67 H new ATOM 0 HB3 LYS A 724 8.877 8.851 -5.030 1.00 0.67 H new ATOM 0 HG2 LYS A 724 10.546 10.611 -5.062 1.00 1.41 H new ATOM 0 HG3 LYS A 724 9.643 10.702 -3.563 1.00 1.41 H new ATOM 0 HD2 LYS A 724 11.971 11.031 -3.038 1.00 1.48 H new ATOM 0 HD3 LYS A 724 11.498 9.466 -2.406 1.00 1.48 H new ATOM 0 HE2 LYS A 724 13.644 9.203 -3.466 1.00 0.91 H new ATOM 0 HE3 LYS A 724 12.458 8.386 -4.464 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 14.066 9.777 -5.707 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 12.445 10.192 -5.997 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 13.400 11.159 -4.978 1.00 1.46 H new ATOM 752 N PRO A 725 7.067 7.150 -3.595 1.00 0.52 N ATOM 753 CA PRO A 725 5.942 6.202 -3.757 1.00 0.54 C ATOM 754 C PRO A 725 6.190 5.044 -4.726 1.00 0.49 C ATOM 755 O PRO A 725 5.625 3.963 -4.568 1.00 0.54 O ATOM 756 CB PRO A 725 4.794 7.087 -4.281 1.00 0.68 C ATOM 757 CG PRO A 725 5.364 8.458 -4.438 1.00 0.83 C ATOM 758 CD PRO A 725 6.560 8.523 -3.540 1.00 0.67 C ATOM 0 HA PRO A 725 5.747 5.700 -2.809 1.00 0.54 H new ATOM 0 HB2 PRO A 725 4.416 6.711 -5.232 1.00 0.68 H new ATOM 0 HB3 PRO A 725 3.956 7.091 -3.584 1.00 0.68 H new ATOM 0 HG2 PRO A 725 5.646 8.645 -5.474 1.00 0.83 H new ATOM 0 HG3 PRO A 725 4.631 9.217 -4.165 1.00 0.83 H new ATOM 0 HD2 PRO A 725 7.297 9.243 -3.896 1.00 0.67 H new ATOM 0 HD3 PRO A 725 6.291 8.817 -2.525 1.00 0.67 H new ATOM 766 N GLU A 726 7.056 5.271 -5.697 1.00 0.44 N ATOM 767 CA GLU A 726 7.182 4.423 -6.870 1.00 0.48 C ATOM 768 C GLU A 726 7.586 2.991 -6.557 1.00 0.51 C ATOM 769 O GLU A 726 7.448 2.113 -7.405 1.00 0.62 O ATOM 770 CB GLU A 726 8.230 5.019 -7.796 1.00 0.45 C ATOM 771 CG GLU A 726 8.134 6.521 -7.918 1.00 0.67 C ATOM 772 CD GLU A 726 6.933 6.962 -8.725 1.00 1.53 C ATOM 773 OE1 GLU A 726 5.815 6.976 -8.169 1.00 2.38 O ATOM 774 OE2 GLU A 726 7.097 7.314 -9.910 1.00 1.89 O ATOM 0 H GLU A 726 7.701 6.061 -5.693 1.00 0.44 H new ATOM 0 HA GLU A 726 6.194 4.384 -7.330 1.00 0.48 H new ATOM 0 HB2 GLU A 726 9.222 4.754 -7.430 1.00 0.45 H new ATOM 0 HB3 GLU A 726 8.126 4.574 -8.785 1.00 0.45 H new ATOM 0 HG2 GLU A 726 8.079 6.960 -6.922 1.00 0.67 H new ATOM 0 HG3 GLU A 726 9.042 6.903 -8.385 1.00 0.67 H new ATOM 781 N ASN A 727 8.048 2.736 -5.351 1.00 0.45 N ATOM 782 CA ASN A 727 8.608 1.416 -5.049 1.00 0.48 C ATOM 783 C ASN A 727 7.534 0.401 -4.700 1.00 0.48 C ATOM 784 O ASN A 727 7.745 -0.812 -4.849 1.00 0.52 O ATOM 785 CB ASN A 727 9.582 1.507 -3.879 1.00 0.51 C ATOM 786 CG ASN A 727 10.998 1.845 -4.308 1.00 1.11 C ATOM 787 OD1 ASN A 727 11.967 1.411 -3.688 1.00 1.74 O ATOM 788 ND2 ASN A 727 11.130 2.633 -5.363 1.00 1.84 N ATOM 0 H ASN A 727 8.053 3.399 -4.576 1.00 0.45 H new ATOM 0 HA ASN A 727 9.122 1.083 -5.951 1.00 0.48 H new ATOM 0 HB2 ASN A 727 9.230 2.265 -3.179 1.00 0.51 H new ATOM 0 HB3 ASN A 727 9.588 0.557 -3.344 1.00 0.51 H new ATOM 0 HD21 ASN A 727 12.060 2.900 -5.687 1.00 1.84 H new ATOM 0 HD22 ASN A 727 10.302 2.973 -5.852 1.00 1.84 H new ATOM 795 N LEU A 728 6.393 0.891 -4.246 1.00 0.48 N ATOM 796 CA LEU A 728 5.270 0.039 -3.903 1.00 0.47 C ATOM 797 C LEU A 728 3.990 0.564 -4.535 1.00 0.47 C ATOM 798 O LEU A 728 3.658 1.720 -4.348 1.00 0.63 O ATOM 799 CB LEU A 728 5.100 0.100 -2.390 1.00 0.70 C ATOM 800 CG LEU A 728 6.035 -0.750 -1.533 1.00 1.26 C ATOM 801 CD1 LEU A 728 7.493 -0.375 -1.729 1.00 1.83 C ATOM 802 CD2 LEU A 728 5.676 -0.555 -0.085 1.00 1.87 C ATOM 0 H LEU A 728 6.220 1.886 -4.106 1.00 0.48 H new ATOM 0 HA LEU A 728 5.457 -0.974 -4.258 1.00 0.47 H new ATOM 0 HB2 LEU A 728 5.215 1.139 -2.082 1.00 0.70 H new ATOM 0 HB3 LEU A 728 4.076 -0.190 -2.156 1.00 0.70 H new ATOM 0 HG LEU A 728 5.913 -1.790 -1.836 1.00 1.26 H new ATOM 0 HD11 LEU A 728 8.119 -1.007 -1.099 1.00 1.83 H new ATOM 0 HD12 LEU A 728 7.768 -0.518 -2.774 1.00 1.83 H new ATOM 0 HD13 LEU A 728 7.640 0.670 -1.455 1.00 1.83 H new ATOM 0 HD21 LEU A 728 6.337 -1.157 0.538 1.00 1.87 H new ATOM 0 HD22 LEU A 728 5.787 0.497 0.179 1.00 1.87 H new ATOM 0 HD23 LEU A 728 4.643 -0.863 0.078 1.00 1.87 H new ATOM 814 N ARG A 729 3.267 -0.265 -5.283 1.00 0.36 N ATOM 815 CA ARG A 729 1.862 0.030 -5.562 1.00 0.41 C ATOM 816 C ARG A 729 1.083 -1.256 -5.844 1.00 0.32 C ATOM 817 O ARG A 729 1.371 -1.973 -6.794 1.00 0.34 O ATOM 818 CB ARG A 729 1.722 1.034 -6.725 1.00 0.56 C ATOM 819 CG ARG A 729 2.003 0.475 -8.116 1.00 0.70 C ATOM 820 CD ARG A 729 3.423 -0.048 -8.270 1.00 0.54 C ATOM 821 NE ARG A 729 3.702 -0.393 -9.660 1.00 1.21 N ATOM 822 CZ ARG A 729 4.752 0.050 -10.348 1.00 1.75 C ATOM 823 NH1 ARG A 729 5.646 0.848 -9.769 1.00 2.18 N ATOM 824 NH2 ARG A 729 4.911 -0.312 -11.616 1.00 2.58 N ATOM 0 H ARG A 729 3.619 -1.127 -5.699 1.00 0.36 H new ATOM 0 HA ARG A 729 1.434 0.495 -4.674 1.00 0.41 H new ATOM 0 HB2 ARG A 729 0.710 1.438 -6.713 1.00 0.56 H new ATOM 0 HB3 ARG A 729 2.400 1.868 -6.545 1.00 0.56 H new ATOM 0 HG2 ARG A 729 1.300 -0.331 -8.327 1.00 0.70 H new ATOM 0 HG3 ARG A 729 1.826 1.254 -8.857 1.00 0.70 H new ATOM 0 HD2 ARG A 729 4.132 0.706 -7.929 1.00 0.54 H new ATOM 0 HD3 ARG A 729 3.562 -0.925 -7.638 1.00 0.54 H new ATOM 0 HE ARG A 729 3.049 -1.015 -10.136 1.00 1.21 H new ATOM 0 HH11 ARG A 729 5.528 1.123 -8.794 1.00 2.18 H new ATOM 0 HH12 ARG A 729 6.449 1.185 -10.300 1.00 2.18 H new ATOM 0 HH21 ARG A 729 4.230 -0.928 -12.060 1.00 2.58 H new ATOM 0 HH22 ARG A 729 5.714 0.026 -12.146 1.00 2.58 H new ATOM 838 N LEU A 730 0.170 -1.602 -4.963 1.00 0.32 N ATOM 839 CA LEU A 730 -0.820 -2.622 -5.233 1.00 0.34 C ATOM 840 C LEU A 730 -1.994 -2.398 -4.307 1.00 0.42 C ATOM 841 O LEU A 730 -1.759 -2.077 -3.151 1.00 0.73 O ATOM 842 CB LEU A 730 -0.233 -4.019 -5.026 1.00 0.37 C ATOM 843 CG LEU A 730 -1.085 -5.162 -5.582 1.00 0.53 C ATOM 844 CD1 LEU A 730 -1.101 -5.123 -7.101 1.00 1.23 C ATOM 845 CD2 LEU A 730 -0.576 -6.505 -5.087 1.00 1.22 C ATOM 0 H LEU A 730 0.093 -1.183 -4.036 1.00 0.32 H new ATOM 0 HA LEU A 730 -1.144 -2.555 -6.272 1.00 0.34 H new ATOM 0 HB2 LEU A 730 0.751 -4.057 -5.494 1.00 0.37 H new ATOM 0 HB3 LEU A 730 -0.085 -4.181 -3.958 1.00 0.37 H new ATOM 0 HG LEU A 730 -2.106 -5.033 -5.222 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -1.711 -5.943 -7.480 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.520 -4.174 -7.436 1.00 1.23 H new ATOM 0 HD13 LEU A 730 -0.083 -5.224 -7.478 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -1.197 -7.302 -5.495 1.00 1.22 H new ATOM 0 HD22 LEU A 730 0.455 -6.646 -5.412 1.00 1.22 H new ATOM 0 HD23 LEU A 730 -0.620 -6.532 -3.998 1.00 1.22 H new ATOM 857 N ALA A 731 -3.230 -2.530 -4.740 1.00 0.34 N ATOM 858 CA ALA A 731 -4.246 -2.774 -3.755 1.00 0.37 C ATOM 859 C ALA A 731 -5.086 -3.953 -4.174 1.00 0.37 C ATOM 860 O ALA A 731 -5.810 -3.872 -5.151 1.00 0.50 O ATOM 861 CB ALA A 731 -5.113 -1.544 -3.538 1.00 0.46 C ATOM 0 H ALA A 731 -3.539 -2.476 -5.711 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.761 -3.001 -2.806 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -5.872 -1.762 -2.787 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.491 -0.716 -3.196 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.598 -1.271 -4.475 1.00 0.46 H new ATOM 867 N GLU A 732 -5.054 -4.998 -3.369 1.00 0.39 N ATOM 868 CA GLU A 732 -5.764 -6.221 -3.661 1.00 0.46 C ATOM 869 C GLU A 732 -6.764 -6.534 -2.580 1.00 0.57 C ATOM 870 O GLU A 732 -6.478 -6.403 -1.404 1.00 0.66 O ATOM 871 CB GLU A 732 -4.783 -7.388 -3.810 1.00 0.66 C ATOM 872 CG GLU A 732 -4.138 -7.847 -2.512 1.00 0.76 C ATOM 873 CD GLU A 732 -3.319 -9.112 -2.676 1.00 0.78 C ATOM 874 OE1 GLU A 732 -2.074 -9.020 -2.703 1.00 1.02 O ATOM 875 OE2 GLU A 732 -3.914 -10.203 -2.787 1.00 1.19 O ATOM 0 H GLU A 732 -4.532 -5.019 -2.493 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.298 -6.081 -4.601 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -5.309 -8.232 -4.256 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -3.997 -7.097 -4.507 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -3.497 -7.052 -2.130 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -4.915 -8.017 -1.766 1.00 0.76 H new ATOM 882 N VAL A 733 -7.931 -6.968 -2.974 1.00 0.69 N ATOM 883 CA VAL A 733 -8.967 -7.246 -2.007 1.00 0.90 C ATOM 884 C VAL A 733 -8.888 -8.695 -1.540 1.00 1.17 C ATOM 885 O VAL A 733 -8.644 -9.587 -2.337 1.00 1.35 O ATOM 886 CB VAL A 733 -10.361 -6.936 -2.582 1.00 1.19 C ATOM 887 CG1 VAL A 733 -10.686 -5.475 -2.390 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.434 -7.273 -4.056 1.00 1.64 C ATOM 0 H VAL A 733 -8.190 -7.136 -3.946 1.00 0.69 H new ATOM 0 HA VAL A 733 -8.808 -6.596 -1.147 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.086 -7.550 -2.048 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -11.674 -5.265 -2.800 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -10.676 -5.237 -1.326 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -9.943 -4.866 -2.905 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -11.431 -7.043 -4.433 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -9.695 -6.685 -4.601 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -10.229 -8.334 -4.197 1.00 1.64 H new ATOM 898 N ILE A 734 -9.034 -8.920 -0.243 1.00 1.30 N ATOM 899 CA ILE A 734 -9.054 -10.276 0.298 1.00 1.65 C ATOM 900 C ILE A 734 -10.333 -10.503 1.100 1.00 1.93 C ATOM 901 O ILE A 734 -10.562 -9.858 2.115 1.00 2.17 O ATOM 902 CB ILE A 734 -7.804 -10.563 1.168 1.00 1.81 C ATOM 903 CG1 ILE A 734 -7.582 -9.442 2.190 1.00 1.91 C ATOM 904 CG2 ILE A 734 -6.575 -10.726 0.282 1.00 2.43 C ATOM 905 CD1 ILE A 734 -6.362 -9.642 3.064 1.00 2.42 C ATOM 0 H ILE A 734 -9.140 -8.184 0.456 1.00 1.30 H new ATOM 0 HA ILE A 734 -9.033 -10.972 -0.540 1.00 1.65 H new ATOM 0 HB ILE A 734 -7.970 -11.492 1.714 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -7.486 -8.494 1.660 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -8.464 -9.364 2.826 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -5.702 -10.927 0.904 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -6.730 -11.557 -0.406 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -6.412 -9.810 -0.286 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -6.273 -8.808 3.760 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -6.463 -10.572 3.623 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -5.470 -9.690 2.439 1.00 2.42 H new ATOM 917 N LYS A 735 -11.115 -11.474 0.656 1.00 2.29 N ATOM 918 CA LYS A 735 -12.507 -11.654 1.051 1.00 2.61 C ATOM 919 C LYS A 735 -13.150 -12.551 -0.001 1.00 2.77 C ATOM 920 O LYS A 735 -12.456 -13.341 -0.636 1.00 2.76 O ATOM 921 CB LYS A 735 -13.245 -10.306 1.069 1.00 2.76 C ATOM 922 CG LYS A 735 -14.395 -10.238 2.059 1.00 3.27 C ATOM 923 CD LYS A 735 -13.965 -9.567 3.345 1.00 3.69 C ATOM 924 CE LYS A 735 -12.730 -10.227 3.927 1.00 3.70 C ATOM 925 NZ LYS A 735 -12.020 -9.315 4.860 1.00 4.16 N ATOM 0 H LYS A 735 -10.792 -12.179 -0.007 1.00 2.29 H new ATOM 0 HA LYS A 735 -12.562 -12.088 2.049 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -12.531 -9.517 1.304 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -13.628 -10.101 0.069 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -15.227 -9.688 1.618 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -14.756 -11.244 2.273 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -13.762 -8.513 3.157 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -14.778 -9.610 4.069 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -13.015 -11.138 4.453 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -12.058 -10.521 3.121 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -11.047 -9.654 5.004 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -11.997 -8.356 4.458 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -12.518 -9.296 5.773 1.00 4.16 H new ATOM 939 N ASN A 736 -14.462 -12.432 -0.190 1.00 3.04 N ATOM 940 CA ASN A 736 -15.103 -12.978 -1.385 1.00 3.32 C ATOM 941 C ASN A 736 -14.539 -12.269 -2.619 1.00 3.14 C ATOM 942 O ASN A 736 -14.601 -12.775 -3.740 1.00 3.36 O ATOM 943 CB ASN A 736 -16.627 -12.804 -1.329 1.00 3.66 C ATOM 944 CG ASN A 736 -17.065 -11.350 -1.292 1.00 4.18 C ATOM 945 OD1 ASN A 736 -17.236 -10.715 -2.330 1.00 4.64 O ATOM 946 ND2 ASN A 736 -17.269 -10.818 -0.096 1.00 4.60 N ATOM 0 H ASN A 736 -15.096 -11.968 0.460 1.00 3.04 H new ATOM 0 HA ASN A 736 -14.894 -14.046 -1.439 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -17.073 -13.289 -2.197 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -17.012 -13.315 -0.446 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -17.579 -9.850 -0.015 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -17.116 -11.377 0.744 1.00 4.60 H new ATOM 953 N ARG A 737 -14.010 -11.075 -2.383 1.00 2.79 N ATOM 954 CA ARG A 737 -13.253 -10.333 -3.380 1.00 2.61 C ATOM 955 C ARG A 737 -11.794 -10.787 -3.323 1.00 2.47 C ATOM 956 O ARG A 737 -11.178 -10.754 -2.261 1.00 3.05 O ATOM 957 CB ARG A 737 -13.394 -8.820 -3.106 1.00 2.49 C ATOM 958 CG ARG A 737 -13.131 -8.430 -1.660 1.00 2.59 C ATOM 959 CD ARG A 737 -14.046 -7.305 -1.192 1.00 3.00 C ATOM 960 NE ARG A 737 -14.069 -6.161 -2.106 1.00 3.54 N ATOM 961 CZ ARG A 737 -14.054 -4.890 -1.698 1.00 4.23 C ATOM 962 NH1 ARG A 737 -13.800 -4.600 -0.425 1.00 4.51 N ATOM 963 NH2 ARG A 737 -14.233 -3.906 -2.574 1.00 4.95 N ATOM 0 H ARG A 737 -14.095 -10.592 -1.489 1.00 2.79 H new ATOM 0 HA ARG A 737 -13.635 -10.526 -4.383 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -12.702 -8.278 -3.750 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -14.400 -8.503 -3.381 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -13.271 -9.301 -1.019 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -12.092 -8.119 -1.552 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -15.059 -7.692 -1.080 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -13.722 -6.968 -0.207 1.00 3.00 H new ATOM 0 HE ARG A 737 -14.098 -6.345 -3.109 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -13.616 -5.350 0.242 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -13.789 -3.628 -0.116 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -14.382 -4.122 -3.560 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -14.221 -2.936 -2.260 1.00 4.95 H new ATOM 977 N PHE A 738 -11.258 -11.251 -4.447 1.00 2.24 N ATOM 978 CA PHE A 738 -9.916 -11.839 -4.462 1.00 2.27 C ATOM 979 C PHE A 738 -8.946 -11.049 -5.335 1.00 2.12 C ATOM 980 O PHE A 738 -9.160 -10.908 -6.540 1.00 2.16 O ATOM 981 CB PHE A 738 -9.963 -13.287 -4.951 1.00 2.70 C ATOM 982 CG PHE A 738 -10.604 -14.242 -3.985 1.00 3.11 C ATOM 983 CD1 PHE A 738 -11.928 -14.617 -4.133 1.00 3.38 C ATOM 984 CD2 PHE A 738 -9.875 -14.772 -2.932 1.00 3.68 C ATOM 985 CE1 PHE A 738 -12.516 -15.502 -3.250 1.00 4.26 C ATOM 986 CE2 PHE A 738 -10.459 -15.657 -2.044 1.00 4.52 C ATOM 987 CZ PHE A 738 -11.780 -16.023 -2.204 1.00 4.83 C ATOM 0 H PHE A 738 -11.724 -11.234 -5.354 1.00 2.24 H new ATOM 0 HA PHE A 738 -9.554 -11.807 -3.434 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -10.507 -13.323 -5.895 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -8.946 -13.623 -5.156 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -12.509 -14.213 -4.949 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -8.840 -14.491 -2.804 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -13.550 -15.786 -3.378 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -9.882 -16.061 -1.226 1.00 4.52 H new ATOM 0 HZ PHE A 738 -12.237 -16.715 -1.513 1.00 4.83 H new ATOM 997 N HIS A 739 -7.878 -10.552 -4.705 1.00 2.05 N ATOM 998 CA HIS A 739 -6.792 -9.849 -5.393 1.00 2.04 C ATOM 999 C HIS A 739 -7.258 -8.527 -5.982 1.00 1.03 C ATOM 1000 O HIS A 739 -8.447 -8.238 -6.005 1.00 1.01 O ATOM 1001 CB HIS A 739 -6.167 -10.720 -6.489 1.00 2.97 C ATOM 1002 CG HIS A 739 -5.093 -11.637 -5.997 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -3.935 -11.875 -6.705 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -4.999 -12.380 -4.868 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -3.178 -12.720 -6.036 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -3.798 -13.043 -4.919 1.00 5.71 N ATOM 0 H HIS A 739 -7.742 -10.627 -3.697 1.00 2.05 H new ATOM 0 HA HIS A 739 -6.032 -9.637 -4.641 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -6.951 -11.314 -6.958 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -5.752 -10.072 -7.261 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -5.731 -12.440 -4.077 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -2.212 -13.086 -6.350 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -3.443 -13.682 -4.208 1.00 5.71 H new ATOM 1015 N ARG A 740 -6.287 -7.710 -6.389 1.00 0.94 N ATOM 1016 CA ARG A 740 -6.535 -6.454 -7.096 1.00 1.03 C ATOM 1017 C ARG A 740 -5.227 -5.650 -7.151 1.00 0.82 C ATOM 1018 O ARG A 740 -4.191 -6.100 -6.656 1.00 1.05 O ATOM 1019 CB ARG A 740 -7.652 -5.634 -6.415 1.00 2.21 C ATOM 1020 CG ARG A 740 -8.331 -4.622 -7.329 1.00 3.05 C ATOM 1021 CD ARG A 740 -9.058 -5.306 -8.474 1.00 4.00 C ATOM 1022 NE ARG A 740 -10.198 -6.094 -8.009 1.00 4.84 N ATOM 1023 CZ ARG A 740 -10.482 -7.322 -8.440 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -9.666 -7.945 -9.276 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -11.577 -7.937 -8.015 1.00 6.71 N ATOM 0 H ARG A 740 -5.297 -7.903 -6.236 1.00 0.94 H new ATOM 0 HA ARG A 740 -6.874 -6.677 -8.108 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -8.406 -6.320 -6.028 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -7.230 -5.108 -5.559 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -9.038 -4.026 -6.752 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -7.586 -3.934 -7.729 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -9.403 -4.555 -9.184 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -8.363 -5.954 -9.008 1.00 4.00 H new ATOM 0 HE ARG A 740 -10.814 -5.678 -7.311 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -8.813 -7.485 -9.594 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -9.890 -8.885 -9.602 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -12.202 -7.470 -7.358 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -11.794 -8.877 -8.345 1.00 6.71 H new ATOM 1039 N VAL A 741 -5.328 -4.424 -7.641 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.187 -3.592 -8.014 1.00 0.46 C ATOM 1041 C VAL A 741 -4.411 -2.205 -7.427 1.00 0.43 C ATOM 1042 O VAL A 741 -5.530 -1.874 -7.078 1.00 0.46 O ATOM 1043 CB VAL A 741 -4.041 -3.501 -9.557 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -2.915 -2.557 -9.961 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -3.806 -4.879 -10.147 1.00 1.06 C ATOM 0 H VAL A 741 -6.226 -3.966 -7.795 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.269 -4.032 -7.625 1.00 0.46 H new ATOM 0 HB VAL A 741 -4.973 -3.096 -9.953 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -2.844 -2.520 -11.048 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -3.122 -1.558 -9.576 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -1.973 -2.917 -9.548 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -3.706 -4.799 -11.229 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -2.893 -5.303 -9.728 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -4.650 -5.526 -9.908 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.363 -1.425 -7.214 1.00 0.42 N ATOM 1056 CA PHE A 742 -3.561 -0.086 -6.687 1.00 0.42 C ATOM 1057 C PHE A 742 -4.193 0.789 -7.749 1.00 0.45 C ATOM 1058 O PHE A 742 -3.553 1.174 -8.727 1.00 0.55 O ATOM 1059 CB PHE A 742 -2.246 0.532 -6.224 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.429 1.564 -5.154 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -2.042 1.270 -3.866 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -2.998 2.805 -5.419 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -2.210 2.188 -2.852 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -3.167 3.729 -4.409 1.00 0.75 C ATOM 1065 CZ PHE A 742 -2.773 3.420 -3.124 1.00 1.13 C ATOM 0 H PHE A 742 -2.393 -1.686 -7.392 1.00 0.42 H new ATOM 0 HA PHE A 742 -4.222 -0.156 -5.823 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -1.591 -0.256 -5.853 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -1.744 0.987 -7.078 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -1.601 0.308 -3.648 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -3.310 3.047 -6.424 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -1.902 1.945 -1.846 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.607 4.692 -4.624 1.00 0.75 H new ATOM 0 HZ PHE A 742 -2.905 4.141 -2.331 1.00 1.13 H new ATOM 1075 N LEU A 743 -5.454 1.086 -7.534 1.00 0.48 N ATOM 1076 CA LEU A 743 -6.215 1.905 -8.445 1.00 0.61 C ATOM 1077 C LEU A 743 -6.136 3.373 -8.039 1.00 0.55 C ATOM 1078 O LEU A 743 -5.826 3.679 -6.882 1.00 0.48 O ATOM 1079 CB LEU A 743 -7.674 1.439 -8.481 1.00 0.78 C ATOM 1080 CG LEU A 743 -7.880 -0.050 -8.773 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -9.360 -0.398 -8.748 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -7.266 -0.432 -10.113 1.00 1.67 C ATOM 0 H LEU A 743 -5.980 0.765 -6.721 1.00 0.48 H new ATOM 0 HA LEU A 743 -5.789 1.802 -9.443 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -8.136 1.671 -7.521 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -8.204 2.017 -9.238 1.00 0.78 H new ATOM 0 HG LEU A 743 -7.375 -0.621 -7.993 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -9.488 -1.460 -8.958 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -9.771 -0.170 -7.764 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -9.884 0.187 -9.504 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -7.426 -1.494 -10.297 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -7.736 0.148 -10.907 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -6.196 -0.224 -10.096 1.00 1.67 H new ATOM 1094 N PRO A 744 -6.401 4.294 -8.984 1.00 0.66 N ATOM 1095 CA PRO A 744 -6.543 5.729 -8.701 1.00 0.67 C ATOM 1096 C PRO A 744 -7.486 5.986 -7.522 1.00 0.62 C ATOM 1097 O PRO A 744 -8.193 5.070 -7.097 1.00 0.64 O ATOM 1098 CB PRO A 744 -7.137 6.308 -9.995 1.00 0.80 C ATOM 1099 CG PRO A 744 -7.483 5.131 -10.850 1.00 1.06 C ATOM 1100 CD PRO A 744 -6.576 4.019 -10.413 1.00 0.83 C ATOM 0 HA PRO A 744 -5.592 6.183 -8.423 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -8.020 6.910 -9.784 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -6.420 6.958 -10.497 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -8.529 4.853 -10.725 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -7.338 5.360 -11.906 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -7.022 3.040 -10.586 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -5.627 4.036 -10.948 1.00 0.83 H new ATOM 1108 N SER A 745 -7.483 7.222 -7.000 1.00 0.64 N ATOM 1109 CA SER A 745 -8.214 7.570 -5.772 1.00 0.67 C ATOM 1110 C SER A 745 -9.558 6.836 -5.676 1.00 0.73 C ATOM 1111 O SER A 745 -10.517 7.138 -6.387 1.00 0.78 O ATOM 1112 CB SER A 745 -8.404 9.090 -5.686 1.00 0.74 C ATOM 1113 OG SER A 745 -8.666 9.659 -6.960 1.00 1.20 O ATOM 0 H SER A 745 -6.977 8.004 -7.415 1.00 0.64 H new ATOM 0 HA SER A 745 -7.617 7.242 -4.921 1.00 0.67 H new ATOM 0 HB2 SER A 745 -9.229 9.316 -5.010 1.00 0.74 H new ATOM 0 HB3 SER A 745 -7.509 9.545 -5.261 1.00 0.74 H new ATOM 0 HG SER A 745 -8.783 10.628 -6.868 1.00 1.20 H new ATOM 1119 N HIS A 746 -9.593 5.859 -4.771 1.00 0.81 N ATOM 1120 CA HIS A 746 -10.636 4.842 -4.760 1.00 0.91 C ATOM 1121 C HIS A 746 -11.402 4.811 -3.442 1.00 0.96 C ATOM 1122 O HIS A 746 -10.845 5.092 -2.380 1.00 1.15 O ATOM 1123 CB HIS A 746 -10.016 3.463 -5.041 1.00 1.10 C ATOM 1124 CG HIS A 746 -8.839 3.092 -4.173 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -8.813 3.242 -2.799 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -7.636 2.561 -4.507 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -7.650 2.819 -2.331 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -6.920 2.402 -3.346 1.00 3.89 N ATOM 0 H HIS A 746 -8.901 5.753 -4.029 1.00 0.81 H new ATOM 0 HA HIS A 746 -11.351 5.096 -5.542 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -10.789 2.704 -4.919 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -9.701 3.431 -6.084 1.00 1.10 H new ATOM 0 HD1 HIS A 746 -9.573 3.620 -2.233 1.00 2.92 H new ATOM 0 HD2 HIS A 746 -7.303 2.310 -5.503 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -7.350 2.816 -1.294 1.00 3.88 H new ATOM 1137 N SER A 747 -12.658 4.384 -3.536 1.00 0.93 N ATOM 1138 CA SER A 747 -13.615 4.396 -2.425 1.00 1.06 C ATOM 1139 C SER A 747 -13.225 3.441 -1.292 1.00 1.39 C ATOM 1140 O SER A 747 -13.886 3.394 -0.254 1.00 1.67 O ATOM 1141 CB SER A 747 -14.994 4.014 -2.956 1.00 1.10 C ATOM 1142 OG SER A 747 -15.231 4.612 -4.220 1.00 1.34 O ATOM 0 H SER A 747 -13.050 4.012 -4.401 1.00 0.93 H new ATOM 0 HA SER A 747 -13.619 5.403 -2.007 1.00 1.06 H new ATOM 0 HB2 SER A 747 -15.068 2.930 -3.042 1.00 1.10 H new ATOM 0 HB3 SER A 747 -15.761 4.331 -2.249 1.00 1.10 H new ATOM 0 HG SER A 747 -16.119 4.353 -4.543 1.00 1.34 H new ATOM 1148 N LEU A 748 -12.160 2.678 -1.504 1.00 1.54 N ATOM 1149 CA LEU A 748 -11.757 1.610 -0.587 1.00 1.97 C ATOM 1150 C LEU A 748 -11.257 2.131 0.768 1.00 1.72 C ATOM 1151 O LEU A 748 -10.697 1.366 1.556 1.00 2.07 O ATOM 1152 CB LEU A 748 -10.672 0.748 -1.234 1.00 2.49 C ATOM 1153 CG LEU A 748 -11.084 0.035 -2.523 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -9.908 -0.735 -3.101 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -12.259 -0.899 -2.269 1.00 3.52 C ATOM 0 H LEU A 748 -11.549 2.779 -2.315 1.00 1.54 H new ATOM 0 HA LEU A 748 -12.650 1.016 -0.391 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -9.809 1.379 -1.447 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -10.348 -0.001 -0.512 1.00 2.49 H new ATOM 0 HG LEU A 748 -11.396 0.788 -3.247 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -10.217 -1.237 -4.018 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -9.094 -0.044 -3.322 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -9.568 -1.477 -2.378 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -12.536 -1.396 -3.199 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -11.976 -1.647 -1.528 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -13.107 -0.324 -1.898 1.00 3.52 H new ATOM 1167 N ASP A 749 -11.428 3.419 1.040 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.133 3.953 2.368 1.00 0.97 C ATOM 1169 C ASP A 749 -12.306 3.676 3.290 1.00 0.91 C ATOM 1170 O ASP A 749 -12.184 3.723 4.505 1.00 1.13 O ATOM 1171 CB ASP A 749 -10.871 5.455 2.330 1.00 0.85 C ATOM 1172 CG ASP A 749 -12.144 6.272 2.202 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -12.808 6.189 1.148 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -12.482 7.002 3.154 1.00 1.85 O ATOM 0 H ASP A 749 -11.766 4.108 0.368 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.231 3.462 2.734 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -10.345 5.750 3.238 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -10.213 5.683 1.492 1.00 0.85 H new ATOM 1179 N THR A 750 -13.429 3.334 2.691 1.00 1.03 N ATOM 1180 CA THR A 750 -14.641 3.075 3.434 1.00 1.16 C ATOM 1181 C THR A 750 -14.524 1.701 4.089 1.00 1.58 C ATOM 1182 O THR A 750 -13.580 0.959 3.795 1.00 2.13 O ATOM 1183 CB THR A 750 -15.873 3.147 2.503 1.00 1.60 C ATOM 1184 OG1 THR A 750 -15.743 4.280 1.633 1.00 2.42 O ATOM 1185 CG2 THR A 750 -17.169 3.274 3.292 1.00 2.13 C ATOM 0 H THR A 750 -13.525 3.229 1.681 1.00 1.03 H new ATOM 0 HA THR A 750 -14.774 3.833 4.206 1.00 1.16 H new ATOM 0 HB THR A 750 -15.914 2.222 1.928 1.00 1.60 H new ATOM 0 HG1 THR A 750 -15.138 4.058 0.895 1.00 2.42 H new ATOM 0 HG21 THR A 750 -18.012 3.322 2.602 1.00 2.13 H new ATOM 0 HG22 THR A 750 -17.283 2.409 3.945 1.00 2.13 H new ATOM 0 HG23 THR A 750 -17.141 4.182 3.894 1.00 2.13 H new ATOM 1193 N VAL A 751 -15.447 1.370 4.992 1.00 1.82 N ATOM 1194 CA VAL A 751 -15.229 0.277 5.924 1.00 2.44 C ATOM 1195 C VAL A 751 -15.132 -1.075 5.215 1.00 2.14 C ATOM 1196 O VAL A 751 -16.113 -1.730 4.863 1.00 2.27 O ATOM 1197 CB VAL A 751 -16.318 0.244 7.027 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -17.716 0.252 6.427 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -16.128 -0.961 7.937 1.00 4.17 C ATOM 0 H VAL A 751 -16.345 1.843 5.094 1.00 1.82 H new ATOM 0 HA VAL A 751 -14.268 0.463 6.403 1.00 2.44 H new ATOM 0 HB VAL A 751 -16.210 1.148 7.627 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -18.456 0.228 7.227 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -17.852 1.156 5.834 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -17.843 -0.623 5.789 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -16.903 -0.964 8.703 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -16.196 -1.876 7.348 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -15.148 -0.907 8.412 1.00 4.17 H new ATOM 1209 N SER A 752 -13.881 -1.429 4.999 1.00 2.23 N ATOM 1210 CA SER A 752 -13.445 -2.725 4.524 1.00 2.12 C ATOM 1211 C SER A 752 -12.008 -2.867 5.007 1.00 2.30 C ATOM 1212 O SER A 752 -11.059 -2.838 4.222 1.00 2.26 O ATOM 1213 CB SER A 752 -13.519 -2.809 2.994 1.00 2.47 C ATOM 1214 OG SER A 752 -14.831 -2.535 2.530 1.00 2.95 O ATOM 0 H SER A 752 -13.103 -0.788 5.158 1.00 2.23 H new ATOM 0 HA SER A 752 -14.082 -3.525 4.901 1.00 2.12 H new ATOM 0 HB2 SER A 752 -12.819 -2.099 2.554 1.00 2.47 H new ATOM 0 HB3 SER A 752 -13.214 -3.803 2.666 1.00 2.47 H new ATOM 0 HG SER A 752 -14.851 -2.593 1.552 1.00 2.95 H new ATOM 1220 N PRO A 753 -11.842 -2.950 6.339 1.00 2.99 N ATOM 1221 CA PRO A 753 -10.551 -2.750 7.000 1.00 3.72 C ATOM 1222 C PRO A 753 -9.524 -3.804 6.644 1.00 3.48 C ATOM 1223 O PRO A 753 -8.335 -3.511 6.556 1.00 3.96 O ATOM 1224 CB PRO A 753 -10.883 -2.827 8.500 1.00 4.69 C ATOM 1225 CG PRO A 753 -12.366 -2.706 8.588 1.00 4.49 C ATOM 1226 CD PRO A 753 -12.901 -3.278 7.309 1.00 3.44 C ATOM 0 HA PRO A 753 -10.103 -1.806 6.691 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -10.540 -3.768 8.930 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -10.391 -2.026 9.052 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -12.752 -3.249 9.451 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -12.667 -1.665 8.706 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -13.063 -4.353 7.383 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -13.856 -2.830 7.033 1.00 3.44 H new ATOM 1234 N SER A 754 -9.979 -5.019 6.420 1.00 2.99 N ATOM 1235 CA SER A 754 -9.074 -6.126 6.264 1.00 3.13 C ATOM 1236 C SER A 754 -8.747 -6.428 4.809 1.00 2.22 C ATOM 1237 O SER A 754 -7.792 -7.155 4.540 1.00 2.49 O ATOM 1238 CB SER A 754 -9.687 -7.351 6.925 1.00 3.71 C ATOM 1239 OG SER A 754 -11.104 -7.306 6.850 1.00 4.37 O ATOM 0 H SER A 754 -10.967 -5.259 6.343 1.00 2.99 H new ATOM 0 HA SER A 754 -8.132 -5.856 6.740 1.00 3.13 H new ATOM 0 HB2 SER A 754 -9.321 -8.255 6.438 1.00 3.71 H new ATOM 0 HB3 SER A 754 -9.375 -7.402 7.968 1.00 3.71 H new ATOM 0 HG SER A 754 -11.377 -7.104 5.931 1.00 4.37 H new ATOM 1245 N ASP A 755 -9.498 -5.877 3.857 1.00 1.48 N ATOM 1246 CA ASP A 755 -9.212 -6.209 2.471 1.00 0.96 C ATOM 1247 C ASP A 755 -8.933 -5.026 1.576 1.00 1.01 C ATOM 1248 O ASP A 755 -9.826 -4.359 1.056 1.00 1.88 O ATOM 1249 CB ASP A 755 -10.337 -7.006 1.856 1.00 1.69 C ATOM 1250 CG ASP A 755 -11.729 -6.571 2.293 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -12.470 -5.982 1.476 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -12.100 -6.843 3.457 1.00 2.95 O ATOM 0 H ASP A 755 -10.272 -5.230 4.011 1.00 1.48 H new ATOM 0 HA ASP A 755 -8.295 -6.795 2.528 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -10.270 -6.929 0.771 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -10.202 -8.057 2.110 1.00 1.69 H new ATOM 1257 N THR A 756 -7.651 -4.805 1.440 1.00 0.93 N ATOM 1258 CA THR A 756 -7.004 -4.148 0.319 1.00 0.99 C ATOM 1259 C THR A 756 -5.504 -4.156 0.604 1.00 0.78 C ATOM 1260 O THR A 756 -5.028 -3.395 1.443 1.00 0.89 O ATOM 1261 CB THR A 756 -7.529 -2.728 0.012 1.00 1.43 C ATOM 1262 OG1 THR A 756 -6.539 -1.965 -0.687 1.00 1.93 O ATOM 1263 CG2 THR A 756 -7.936 -2.000 1.275 1.00 2.05 C ATOM 0 H THR A 756 -6.982 -5.096 2.153 1.00 0.93 H new ATOM 0 HA THR A 756 -7.240 -4.700 -0.591 1.00 0.99 H new ATOM 0 HB THR A 756 -8.411 -2.837 -0.619 1.00 1.43 H new ATOM 0 HG1 THR A 756 -6.889 -1.069 -0.875 1.00 1.93 H new ATOM 0 HG21 THR A 756 -8.300 -1.005 1.020 1.00 2.05 H new ATOM 0 HG22 THR A 756 -8.726 -2.558 1.778 1.00 2.05 H new ATOM 0 HG23 THR A 756 -7.075 -1.913 1.938 1.00 2.05 H new ATOM 1271 N LEU A 757 -4.763 -4.998 -0.071 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.380 -5.225 0.283 1.00 0.58 C ATOM 1273 C LEU A 757 -2.465 -4.747 -0.807 1.00 0.44 C ATOM 1274 O LEU A 757 -2.778 -4.841 -1.988 1.00 0.46 O ATOM 1275 CB LEU A 757 -3.178 -6.718 0.555 1.00 0.70 C ATOM 1276 CG LEU A 757 -2.017 -7.081 1.480 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -2.328 -8.349 2.248 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -0.747 -7.257 0.676 1.00 1.66 C ATOM 0 H LEU A 757 -5.092 -5.539 -0.870 1.00 0.68 H new ATOM 0 HA LEU A 757 -3.136 -4.659 1.182 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -4.097 -7.116 0.985 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -3.028 -7.223 -0.399 1.00 0.70 H new ATOM 0 HG LEU A 757 -1.874 -6.270 2.194 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -1.491 -8.593 2.902 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -3.226 -8.200 2.848 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -2.492 -9.168 1.547 1.00 1.53 H new ATOM 0 HD21 LEU A 757 0.074 -7.515 1.345 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -0.886 -8.055 -0.053 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -0.513 -6.327 0.157 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.331 -4.244 -0.398 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.325 -3.848 -1.328 1.00 0.40 C ATOM 1292 C LEU A 758 0.830 -4.814 -1.236 1.00 0.35 C ATOM 1293 O LEU A 758 1.365 -5.093 -0.157 1.00 0.40 O ATOM 1294 CB LEU A 758 0.104 -2.395 -1.017 1.00 0.54 C ATOM 1295 CG LEU A 758 1.533 -1.985 -1.394 1.00 0.60 C ATOM 1296 CD1 LEU A 758 1.905 -2.489 -2.761 1.00 1.19 C ATOM 1297 CD2 LEU A 758 1.670 -0.477 -1.371 1.00 1.13 C ATOM 0 H LEU A 758 -1.086 -4.101 0.582 1.00 0.39 H new ATOM 0 HA LEU A 758 -0.703 -3.872 -2.350 1.00 0.40 H new ATOM 0 HB2 LEU A 758 -0.585 -1.723 -1.529 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -0.023 -2.228 0.053 1.00 0.54 H new ATOM 0 HG LEU A 758 2.205 -2.430 -0.660 1.00 0.60 H new ATOM 0 HD11 LEU A 758 2.924 -2.181 -2.998 1.00 1.19 H new ATOM 0 HD12 LEU A 758 1.842 -3.577 -2.777 1.00 1.19 H new ATOM 0 HD13 LEU A 758 1.220 -2.075 -3.500 1.00 1.19 H new ATOM 0 HD21 LEU A 758 2.689 -0.200 -1.640 1.00 1.13 H new ATOM 0 HD22 LEU A 758 0.974 -0.037 -2.085 1.00 1.13 H new ATOM 0 HD23 LEU A 758 1.446 -0.107 -0.371 1.00 1.13 H new ATOM 1309 N CYS A 759 1.167 -5.359 -2.389 1.00 0.35 N ATOM 1310 CA CYS A 759 2.365 -6.130 -2.530 1.00 0.36 C ATOM 1311 C CYS A 759 3.065 -5.696 -3.801 1.00 0.36 C ATOM 1312 O CYS A 759 2.670 -6.096 -4.896 1.00 0.40 O ATOM 1313 CB CYS A 759 2.017 -7.616 -2.596 1.00 0.46 C ATOM 1314 SG CYS A 759 3.442 -8.717 -2.453 1.00 1.55 S ATOM 0 H CYS A 759 0.616 -5.275 -3.243 1.00 0.35 H new ATOM 0 HA CYS A 759 3.022 -5.969 -1.675 1.00 0.36 H new ATOM 0 HB2 CYS A 759 1.311 -7.848 -1.799 1.00 0.46 H new ATOM 0 HB3 CYS A 759 1.510 -7.817 -3.539 1.00 0.46 H new ATOM 0 HG CYS A 759 4.011 -8.543 -1.297 1.00 1.55 H new ATOM 1320 N PHE A 760 4.081 -4.877 -3.678 1.00 0.36 N ATOM 1321 CA PHE A 760 4.910 -4.585 -4.814 1.00 0.41 C ATOM 1322 C PHE A 760 6.365 -4.644 -4.449 1.00 0.36 C ATOM 1323 O PHE A 760 6.743 -4.473 -3.283 1.00 0.50 O ATOM 1324 CB PHE A 760 4.585 -3.240 -5.443 1.00 0.68 C ATOM 1325 CG PHE A 760 4.571 -3.328 -6.937 1.00 1.79 C ATOM 1326 CD1 PHE A 760 3.478 -3.876 -7.589 1.00 2.53 C ATOM 1327 CD2 PHE A 760 5.650 -2.894 -7.689 1.00 2.16 C ATOM 1328 CE1 PHE A 760 3.460 -3.987 -8.966 1.00 3.60 C ATOM 1329 CE2 PHE A 760 5.639 -3.001 -9.067 1.00 3.23 C ATOM 1330 CZ PHE A 760 4.542 -3.549 -9.706 1.00 3.94 C ATOM 0 H PHE A 760 4.349 -4.408 -2.813 1.00 0.36 H new ATOM 0 HA PHE A 760 4.697 -5.354 -5.557 1.00 0.41 H new ATOM 0 HB2 PHE A 760 3.614 -2.895 -5.088 1.00 0.68 H new ATOM 0 HB3 PHE A 760 5.321 -2.501 -5.127 1.00 0.68 H new ATOM 0 HD1 PHE A 760 2.631 -4.220 -7.014 1.00 2.53 H new ATOM 0 HD2 PHE A 760 6.509 -2.467 -7.193 1.00 2.16 H new ATOM 0 HE1 PHE A 760 2.602 -4.415 -9.463 1.00 3.60 H new ATOM 0 HE2 PHE A 760 6.485 -2.657 -9.643 1.00 3.23 H new ATOM 0 HZ PHE A 760 4.531 -3.635 -10.783 1.00 3.94 H new ATOM 1340 N GLU A 761 7.158 -4.982 -5.429 1.00 0.35 N ATOM 1341 CA GLU A 761 8.582 -4.813 -5.333 1.00 0.40 C ATOM 1342 C GLU A 761 9.081 -3.942 -6.480 1.00 0.61 C ATOM 1343 O GLU A 761 8.939 -4.304 -7.646 1.00 0.79 O ATOM 1344 CB GLU A 761 9.308 -6.167 -5.244 1.00 0.52 C ATOM 1345 CG GLU A 761 8.815 -7.250 -6.196 1.00 1.26 C ATOM 1346 CD GLU A 761 9.467 -7.194 -7.561 1.00 1.49 C ATOM 1347 OE1 GLU A 761 10.716 -7.200 -7.635 1.00 1.96 O ATOM 1348 OE2 GLU A 761 8.732 -7.166 -8.570 1.00 1.88 O ATOM 0 H GLU A 761 6.838 -5.380 -6.312 1.00 0.35 H new ATOM 0 HA GLU A 761 8.816 -4.293 -4.404 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.369 -6.001 -5.431 1.00 0.52 H new ATOM 0 HB3 GLU A 761 9.218 -6.539 -4.223 1.00 0.52 H new ATOM 0 HG2 GLU A 761 9.004 -8.227 -5.751 1.00 1.26 H new ATOM 0 HG3 GLU A 761 7.735 -7.156 -6.313 1.00 1.26 H new ATOM 1355 N LEU A 762 9.628 -2.781 -6.167 1.00 0.89 N ATOM 1356 CA LEU A 762 10.347 -2.011 -7.168 1.00 1.28 C ATOM 1357 C LEU A 762 11.577 -1.388 -6.540 1.00 0.79 C ATOM 1358 O LEU A 762 11.519 -0.910 -5.413 1.00 0.89 O ATOM 1359 CB LEU A 762 9.461 -0.921 -7.777 1.00 2.07 C ATOM 1360 CG LEU A 762 9.910 -0.448 -9.162 1.00 3.10 C ATOM 1361 CD1 LEU A 762 9.678 -1.549 -10.185 1.00 3.72 C ATOM 1362 CD2 LEU A 762 9.182 0.823 -9.569 1.00 3.94 C ATOM 0 H LEU A 762 9.590 -2.354 -5.241 1.00 0.89 H new ATOM 0 HA LEU A 762 10.645 -2.686 -7.971 1.00 1.28 H new ATOM 0 HB2 LEU A 762 8.440 -1.296 -7.847 1.00 2.07 H new ATOM 0 HB3 LEU A 762 9.441 -0.065 -7.102 1.00 2.07 H new ATOM 0 HG LEU A 762 10.975 -0.221 -9.121 1.00 3.10 H new ATOM 0 HD11 LEU A 762 10.000 -1.206 -11.168 1.00 3.72 H new ATOM 0 HD12 LEU A 762 10.250 -2.433 -9.904 1.00 3.72 H new ATOM 0 HD13 LEU A 762 8.617 -1.798 -10.217 1.00 3.72 H new ATOM 0 HD21 LEU A 762 9.521 1.136 -10.557 1.00 3.94 H new ATOM 0 HD22 LEU A 762 8.109 0.635 -9.596 1.00 3.94 H new ATOM 0 HD23 LEU A 762 9.394 1.611 -8.846 1.00 3.94 H new ATOM 1374 N LEU A 763 12.693 -1.419 -7.249 1.00 1.06 N ATOM 1375 CA LEU A 763 13.921 -0.853 -6.733 1.00 0.98 C ATOM 1376 C LEU A 763 14.156 0.523 -7.322 1.00 0.79 C ATOM 1377 O LEU A 763 14.207 0.691 -8.539 1.00 1.44 O ATOM 1378 CB LEU A 763 15.110 -1.771 -7.042 1.00 1.81 C ATOM 1379 CG LEU A 763 16.487 -1.240 -6.619 1.00 2.42 C ATOM 1380 CD1 LEU A 763 16.519 -0.925 -5.132 1.00 2.97 C ATOM 1381 CD2 LEU A 763 17.570 -2.249 -6.966 1.00 3.32 C ATOM 0 H LEU A 763 12.771 -1.829 -8.180 1.00 1.06 H new ATOM 0 HA LEU A 763 13.827 -0.760 -5.651 1.00 0.98 H new ATOM 0 HB2 LEU A 763 14.943 -2.729 -6.550 1.00 1.81 H new ATOM 0 HB3 LEU A 763 15.129 -1.963 -8.115 1.00 1.81 H new ATOM 0 HG LEU A 763 16.675 -0.316 -7.165 1.00 2.42 H new ATOM 0 HD11 LEU A 763 17.506 -0.551 -4.860 1.00 2.97 H new ATOM 0 HD12 LEU A 763 15.769 -0.168 -4.904 1.00 2.97 H new ATOM 0 HD13 LEU A 763 16.305 -1.830 -4.564 1.00 2.97 H new ATOM 0 HD21 LEU A 763 18.541 -1.860 -6.661 1.00 3.32 H new ATOM 0 HD22 LEU A 763 17.375 -3.186 -6.445 1.00 3.32 H new ATOM 0 HD23 LEU A 763 17.572 -2.425 -8.042 1.00 3.32 H new ATOM 1393 N SER A 764 14.277 1.503 -6.452 1.00 0.58 N ATOM 1394 CA SER A 764 14.649 2.835 -6.855 1.00 0.61 C ATOM 1395 C SER A 764 15.293 3.535 -5.668 1.00 0.71 C ATOM 1396 O SER A 764 14.715 3.574 -4.588 1.00 1.17 O ATOM 1397 CB SER A 764 13.417 3.600 -7.340 1.00 1.02 C ATOM 1398 OG SER A 764 13.778 4.790 -8.021 1.00 1.67 O ATOM 0 H SER A 764 14.120 1.396 -5.450 1.00 0.58 H new ATOM 0 HA SER A 764 15.360 2.795 -7.680 1.00 0.61 H new ATOM 0 HB2 SER A 764 12.830 2.964 -8.003 1.00 1.02 H new ATOM 0 HB3 SER A 764 12.782 3.845 -6.489 1.00 1.02 H new ATOM 0 HG SER A 764 12.968 5.255 -8.320 1.00 1.67 H new ATOM 1404 N SER A 765 16.497 4.053 -5.860 1.00 0.99 N ATOM 1405 CA SER A 765 17.253 4.661 -4.773 1.00 1.18 C ATOM 1406 C SER A 765 16.565 5.916 -4.233 1.00 1.13 C ATOM 1407 O SER A 765 15.910 6.647 -4.980 1.00 1.21 O ATOM 1408 CB SER A 765 18.664 4.987 -5.251 1.00 1.51 C ATOM 1409 OG SER A 765 19.349 3.804 -5.630 1.00 2.10 O ATOM 0 H SER A 765 16.974 4.065 -6.762 1.00 0.99 H new ATOM 0 HA SER A 765 17.303 3.945 -3.953 1.00 1.18 H new ATOM 0 HB2 SER A 765 18.618 5.673 -6.096 1.00 1.51 H new ATOM 0 HB3 SER A 765 19.214 5.494 -4.458 1.00 1.51 H new ATOM 0 HG SER A 765 20.252 4.032 -5.936 1.00 2.10 H new ATOM 1415 N GLU A 766 16.714 6.144 -2.930 1.00 1.43 N ATOM 1416 CA GLU A 766 16.114 7.291 -2.260 1.00 1.74 C ATOM 1417 C GLU A 766 16.627 8.589 -2.865 1.00 2.11 C ATOM 1418 O GLU A 766 17.798 8.946 -2.610 1.00 2.79 O ATOM 1419 CB GLU A 766 16.419 7.289 -0.751 1.00 2.48 C ATOM 1420 CG GLU A 766 16.865 5.947 -0.188 1.00 3.22 C ATOM 1421 CD GLU A 766 18.326 5.656 -0.470 1.00 4.06 C ATOM 1422 OE1 GLU A 766 18.616 4.932 -1.442 1.00 4.70 O ATOM 1423 OE2 GLU A 766 19.196 6.171 0.267 1.00 4.47 O ATOM 1424 OXT GLU A 766 15.856 9.262 -3.572 1.00 2.51 O ATOM 0 H GLU A 766 17.254 5.539 -2.311 1.00 1.43 H new ATOM 0 HA GLU A 766 15.036 7.217 -2.400 1.00 1.74 H new ATOM 0 HB2 GLU A 766 17.196 8.026 -0.552 1.00 2.48 H new ATOM 0 HB3 GLU A 766 15.527 7.613 -0.215 1.00 2.48 H new ATOM 0 HG2 GLU A 766 16.697 5.934 0.889 1.00 3.22 H new ATOM 0 HG3 GLU A 766 16.251 5.155 -0.616 1.00 3.22 H new TER 1431 GLU A 766