USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=23 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 60:sc= 0.934 USER MOD Set 1.2: A 711 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 745 SER OG : rot 180:sc= 1.06 USER MOD Single : A 679 LYS NZ :NH3+ -171:sc= -0.0244 (180deg=-0.237) USER MOD Single : A 680 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 681 LYS NZ :NH3+ -138:sc= -4.38! (180deg=-6.32!) USER MOD Single : A 687 TYR OH : rot 180:sc= -0.395 USER MOD Single : A 693 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.0066) USER MOD Single : A 694 SER OG : rot 127:sc= 1.16 USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 698 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 SER OG : rot 42:sc= 0.415 USER MOD Single : A 704 SER OG : rot 180:sc= -2.38! USER MOD Single : A 705 LYS NZ :NH3+ -124:sc= 2.33 (180deg=-0.571) USER MOD Single : A 707 ASN : amide:sc= 0.699 K(o=0.7,f=-0.0036) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot -140:sc= -0.101 USER MOD Single : A 718 SER OG : rot 110:sc= 0.00496 USER MOD Single : A 719 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.68) USER MOD Single : A 720 SER OG : rot 82:sc= 0.901 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 724 LYS NZ :NH3+ 171:sc= 1.35 (180deg=1.15) USER MOD Single : A 727 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.73) USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.38) USER MOD Single : A 739 HIS : no HD1:sc= -0.0875 X(o=-0.088,f=-0.1) USER MOD Single : A 746 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-6.6!) USER MOD Single : A 747 SER OG : rot -28:sc= 0.171 USER MOD Single : A 750 THR OG1 : rot 65:sc= 0.274 USER MOD Single : A 752 SER OG : rot 46:sc= 0.228 USER MOD Single : A 754 SER OG : rot 180:sc= 0 USER MOD Single : A 756 THR OG1 : rot -120:sc= -2.26! USER MOD Single : A 759 CYS SG : rot 180:sc= -4.51! USER MOD Single : A 764 SER OG : rot -3:sc= 1.01 USER MOD Single : A 765 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -10.278 8.619 6.663 1.00 0.86 N ATOM 2 CA LYS A 679 -8.832 8.842 6.879 1.00 0.72 C ATOM 3 C LYS A 679 -8.179 7.679 7.627 1.00 0.66 C ATOM 4 O LYS A 679 -6.994 7.413 7.435 1.00 1.02 O ATOM 5 CB LYS A 679 -8.599 10.143 7.651 1.00 0.92 C ATOM 6 CG LYS A 679 -7.128 10.466 7.852 1.00 0.97 C ATOM 7 CD LYS A 679 -6.411 10.620 6.521 1.00 1.12 C ATOM 8 CE LYS A 679 -4.906 10.735 6.704 1.00 1.43 C ATOM 9 NZ LYS A 679 -4.541 11.793 7.684 1.00 2.26 N ATOM 0 HA LYS A 679 -8.369 8.913 5.895 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -9.075 10.965 7.116 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -9.085 10.072 8.624 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -7.031 11.386 8.429 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -6.655 9.674 8.433 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -6.636 9.764 5.885 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -6.784 11.506 6.007 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -4.508 9.777 7.040 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -4.440 10.955 5.743 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -3.512 11.943 7.666 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -5.024 12.679 7.434 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -4.831 11.498 8.638 1.00 2.26 H new ATOM 25 N GLN A 680 -8.928 6.989 8.479 1.00 0.54 N ATOM 26 CA GLN A 680 -8.346 5.892 9.248 1.00 0.71 C ATOM 27 C GLN A 680 -8.932 4.529 8.873 1.00 0.50 C ATOM 28 O GLN A 680 -10.127 4.277 9.038 1.00 0.78 O ATOM 29 CB GLN A 680 -8.479 6.126 10.755 1.00 1.24 C ATOM 30 CG GLN A 680 -9.893 6.407 11.226 1.00 1.84 C ATOM 31 CD GLN A 680 -10.032 6.260 12.725 1.00 2.28 C ATOM 32 OE1 GLN A 680 -9.814 7.206 13.481 1.00 2.61 O ATOM 33 NE2 GLN A 680 -10.413 5.073 13.165 1.00 2.98 N ATOM 0 H GLN A 680 -9.918 7.162 8.654 1.00 0.54 H new ATOM 0 HA GLN A 680 -7.287 5.876 8.988 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -8.102 5.249 11.281 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -7.842 6.964 11.037 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -10.178 7.417 10.933 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -10.583 5.724 10.730 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -10.584 4.315 12.504 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -10.536 4.915 14.165 1.00 2.98 H new ATOM 42 N LYS A 681 -8.072 3.664 8.356 1.00 0.53 N ATOM 43 CA LYS A 681 -8.396 2.259 8.139 1.00 0.44 C ATOM 44 C LYS A 681 -7.106 1.446 8.179 1.00 0.37 C ATOM 45 O LYS A 681 -6.134 1.783 7.503 1.00 0.55 O ATOM 46 CB LYS A 681 -9.147 2.048 6.817 1.00 0.63 C ATOM 47 CG LYS A 681 -8.555 2.800 5.638 1.00 0.67 C ATOM 48 CD LYS A 681 -8.233 1.881 4.477 1.00 0.70 C ATOM 49 CE LYS A 681 -9.439 1.076 4.047 1.00 0.87 C ATOM 50 NZ LYS A 681 -9.075 0.102 2.998 1.00 1.44 N ATOM 0 H LYS A 681 -7.125 3.917 8.073 1.00 0.53 H new ATOM 0 HA LYS A 681 -9.064 1.921 8.931 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -9.159 0.983 6.585 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -10.184 2.358 6.948 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -9.257 3.567 5.309 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -7.647 3.314 5.955 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -7.871 2.472 3.635 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -7.427 1.205 4.761 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -9.857 0.552 4.907 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -10.214 1.745 3.674 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -9.813 0.088 2.266 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -8.168 0.376 2.570 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -8.987 -0.845 3.419 1.00 1.44 H new ATOM 64 N VAL A 682 -7.089 0.400 8.992 1.00 0.33 N ATOM 65 CA VAL A 682 -5.857 -0.320 9.277 1.00 0.35 C ATOM 66 C VAL A 682 -5.576 -1.394 8.234 1.00 0.37 C ATOM 67 O VAL A 682 -6.210 -2.446 8.223 1.00 0.46 O ATOM 68 CB VAL A 682 -5.966 -0.957 10.683 1.00 0.49 C ATOM 69 CG1 VAL A 682 -4.782 -1.850 11.004 1.00 1.36 C ATOM 70 CG2 VAL A 682 -6.114 0.125 11.738 1.00 1.32 C ATOM 0 H VAL A 682 -7.914 0.031 9.466 1.00 0.33 H new ATOM 0 HA VAL A 682 -5.026 0.385 9.245 1.00 0.35 H new ATOM 0 HB VAL A 682 -6.854 -1.589 10.686 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -4.905 -2.273 12.001 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -4.725 -2.656 10.272 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -3.864 -1.263 10.970 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -6.190 -0.335 12.723 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -5.244 0.782 11.710 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -7.014 0.706 11.539 1.00 1.32 H new ATOM 80 N LEU A 683 -4.621 -1.109 7.353 1.00 0.34 N ATOM 81 CA LEU A 683 -4.197 -2.063 6.339 1.00 0.39 C ATOM 82 C LEU A 683 -2.749 -2.490 6.541 1.00 0.38 C ATOM 83 O LEU A 683 -1.840 -1.680 6.325 1.00 0.38 O ATOM 84 CB LEU A 683 -4.344 -1.441 4.956 1.00 0.47 C ATOM 85 CG LEU A 683 -5.712 -0.831 4.669 1.00 0.82 C ATOM 86 CD1 LEU A 683 -5.665 -0.025 3.380 1.00 1.44 C ATOM 87 CD2 LEU A 683 -6.775 -1.914 4.582 1.00 1.55 C ATOM 0 H LEU A 683 -4.125 -0.218 7.323 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.831 -2.945 6.427 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.585 -0.667 4.839 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -4.138 -2.205 4.206 1.00 0.47 H new ATOM 0 HG LEU A 683 -5.974 -0.164 5.490 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -6.647 0.406 3.184 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -4.930 0.774 3.477 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -5.384 -0.677 2.553 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -7.743 -1.458 4.377 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -6.523 -2.607 3.780 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.822 -2.455 5.527 1.00 1.55 H new ATOM 99 N PRO A 684 -2.466 -3.726 6.969 1.00 0.41 N ATOM 100 CA PRO A 684 -1.113 -4.232 6.855 1.00 0.40 C ATOM 101 C PRO A 684 -0.865 -4.733 5.434 1.00 0.38 C ATOM 102 O PRO A 684 -1.612 -5.567 4.923 1.00 0.43 O ATOM 103 CB PRO A 684 -1.079 -5.396 7.860 1.00 0.48 C ATOM 104 CG PRO A 684 -2.448 -5.465 8.481 1.00 0.65 C ATOM 105 CD PRO A 684 -3.374 -4.680 7.593 1.00 0.48 C ATOM 0 HA PRO A 684 -0.349 -3.482 7.058 1.00 0.40 H new ATOM 0 HB2 PRO A 684 -0.832 -6.333 7.360 1.00 0.48 H new ATOM 0 HB3 PRO A 684 -0.316 -5.230 8.620 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.781 -6.499 8.567 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -2.436 -5.050 9.489 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -3.867 -5.314 6.857 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -4.159 -4.182 8.162 1.00 0.48 H new ATOM 113 N VAL A 685 0.179 -4.228 4.805 1.00 0.34 N ATOM 114 CA VAL A 685 0.575 -4.667 3.470 1.00 0.33 C ATOM 115 C VAL A 685 1.939 -5.353 3.490 1.00 0.30 C ATOM 116 O VAL A 685 2.761 -5.028 4.342 1.00 0.33 O ATOM 117 CB VAL A 685 0.584 -3.497 2.483 1.00 0.39 C ATOM 118 CG1 VAL A 685 -0.746 -2.755 2.513 1.00 0.45 C ATOM 119 CG2 VAL A 685 1.721 -2.568 2.807 1.00 0.60 C ATOM 0 H VAL A 685 0.779 -3.503 5.199 1.00 0.34 H new ATOM 0 HA VAL A 685 -0.166 -5.394 3.136 1.00 0.33 H new ATOM 0 HB VAL A 685 0.725 -3.887 1.475 1.00 0.39 H new ATOM 0 HG11 VAL A 685 -0.717 -1.928 1.804 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -1.550 -3.438 2.241 1.00 0.45 H new ATOM 0 HG13 VAL A 685 -0.924 -2.367 3.516 1.00 0.45 H new ATOM 0 HG21 VAL A 685 1.724 -1.737 2.102 1.00 0.60 H new ATOM 0 HG22 VAL A 685 1.600 -2.184 3.820 1.00 0.60 H new ATOM 0 HG23 VAL A 685 2.665 -3.109 2.734 1.00 0.60 H new ATOM 129 N PHE A 686 2.209 -6.258 2.547 1.00 0.33 N ATOM 130 CA PHE A 686 3.522 -6.898 2.486 1.00 0.37 C ATOM 131 C PHE A 686 4.174 -6.654 1.138 1.00 0.44 C ATOM 132 O PHE A 686 3.783 -7.214 0.128 1.00 0.70 O ATOM 133 CB PHE A 686 3.496 -8.402 2.802 1.00 0.62 C ATOM 134 CG PHE A 686 2.282 -9.169 2.345 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.932 -9.234 1.009 1.00 1.55 C ATOM 136 CD2 PHE A 686 1.515 -9.869 3.265 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.844 -9.976 0.595 1.00 2.32 C ATOM 138 CE2 PHE A 686 0.420 -10.607 2.859 1.00 2.43 C ATOM 139 CZ PHE A 686 0.086 -10.660 1.522 1.00 2.65 C ATOM 0 H PHE A 686 1.550 -6.559 1.829 1.00 0.33 H new ATOM 0 HA PHE A 686 4.117 -6.432 3.272 1.00 0.37 H new ATOM 0 HB2 PHE A 686 4.377 -8.860 2.352 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.590 -8.525 3.881 1.00 0.62 H new ATOM 0 HD1 PHE A 686 2.518 -8.696 0.279 1.00 1.55 H new ATOM 0 HD2 PHE A 686 1.777 -9.837 4.312 1.00 1.65 H new ATOM 0 HE1 PHE A 686 0.587 -10.021 -0.453 1.00 2.32 H new ATOM 0 HE2 PHE A 686 -0.173 -11.141 3.587 1.00 2.43 H new ATOM 0 HZ PHE A 686 -0.769 -11.237 1.201 1.00 2.65 H new ATOM 149 N TYR A 687 5.186 -5.828 1.143 1.00 0.46 N ATOM 150 CA TYR A 687 5.804 -5.355 -0.077 1.00 0.69 C ATOM 151 C TYR A 687 7.299 -5.603 -0.047 1.00 0.50 C ATOM 152 O TYR A 687 7.926 -5.591 1.014 1.00 0.64 O ATOM 153 CB TYR A 687 5.493 -3.877 -0.301 1.00 1.33 C ATOM 154 CG TYR A 687 5.792 -3.000 0.887 1.00 2.53 C ATOM 155 CD1 TYR A 687 4.784 -2.576 1.734 1.00 3.44 C ATOM 156 CD2 TYR A 687 7.088 -2.608 1.166 1.00 3.03 C ATOM 157 CE1 TYR A 687 5.060 -1.792 2.825 1.00 4.64 C ATOM 158 CE2 TYR A 687 7.372 -1.818 2.258 1.00 4.21 C ATOM 159 CZ TYR A 687 6.327 -1.364 3.055 1.00 4.97 C ATOM 160 OH TYR A 687 6.631 -0.636 4.184 1.00 6.20 O ATOM 0 H TYR A 687 5.610 -5.460 1.994 1.00 0.46 H new ATOM 0 HA TYR A 687 5.388 -5.914 -0.915 1.00 0.69 H new ATOM 0 HB2 TYR A 687 6.068 -3.521 -1.156 1.00 1.33 H new ATOM 0 HB3 TYR A 687 4.439 -3.773 -0.560 1.00 1.33 H new ATOM 0 HD1 TYR A 687 3.764 -2.867 1.533 1.00 3.44 H new ATOM 0 HD2 TYR A 687 7.891 -2.926 0.517 1.00 3.03 H new ATOM 0 HE1 TYR A 687 4.267 -1.514 3.503 1.00 4.64 H new ATOM 0 HE2 TYR A 687 8.393 -1.555 2.492 1.00 4.21 H new ATOM 0 HH TYR A 687 7.586 -0.416 4.184 1.00 6.20 H new ATOM 170 N PHE A 688 7.881 -5.872 -1.193 1.00 0.57 N ATOM 171 CA PHE A 688 9.297 -6.162 -1.216 1.00 0.60 C ATOM 172 C PHE A 688 10.041 -4.847 -1.328 1.00 0.63 C ATOM 173 O PHE A 688 10.044 -4.193 -2.369 1.00 0.69 O ATOM 174 CB PHE A 688 9.648 -7.078 -2.392 1.00 0.81 C ATOM 175 CG PHE A 688 8.857 -8.355 -2.422 1.00 1.20 C ATOM 176 CD1 PHE A 688 7.747 -8.479 -3.245 1.00 1.75 C ATOM 177 CD2 PHE A 688 9.222 -9.430 -1.627 1.00 1.41 C ATOM 178 CE1 PHE A 688 7.016 -9.651 -3.273 1.00 2.40 C ATOM 179 CE2 PHE A 688 8.495 -10.604 -1.652 1.00 2.00 C ATOM 180 CZ PHE A 688 7.391 -10.716 -2.476 1.00 2.48 C ATOM 0 H PHE A 688 7.412 -5.896 -2.099 1.00 0.57 H new ATOM 0 HA PHE A 688 9.584 -6.682 -0.302 1.00 0.60 H new ATOM 0 HB2 PHE A 688 9.483 -6.537 -3.324 1.00 0.81 H new ATOM 0 HB3 PHE A 688 10.710 -7.320 -2.348 1.00 0.81 H new ATOM 0 HD1 PHE A 688 7.451 -7.650 -3.871 1.00 1.75 H new ATOM 0 HD2 PHE A 688 10.084 -9.349 -0.981 1.00 1.41 H new ATOM 0 HE1 PHE A 688 6.153 -9.735 -3.917 1.00 2.40 H new ATOM 0 HE2 PHE A 688 8.789 -11.435 -1.028 1.00 2.00 H new ATOM 0 HZ PHE A 688 6.822 -11.634 -2.497 1.00 2.48 H new ATOM 190 N ALA A 689 10.691 -4.491 -0.231 1.00 0.73 N ATOM 191 CA ALA A 689 11.244 -3.165 -0.053 1.00 0.85 C ATOM 192 C ALA A 689 12.651 -3.092 -0.568 1.00 0.81 C ATOM 193 O ALA A 689 13.457 -3.988 -0.323 1.00 0.80 O ATOM 194 CB ALA A 689 11.223 -2.784 1.417 1.00 1.07 C ATOM 0 H ALA A 689 10.848 -5.116 0.559 1.00 0.73 H new ATOM 0 HA ALA A 689 10.630 -2.467 -0.621 1.00 0.85 H new ATOM 0 HB1 ALA A 689 11.641 -1.785 1.540 1.00 1.07 H new ATOM 0 HB2 ALA A 689 10.196 -2.795 1.781 1.00 1.07 H new ATOM 0 HB3 ALA A 689 11.817 -3.499 1.987 1.00 1.07 H new ATOM 200 N ARG A 690 12.953 -2.032 -1.285 1.00 0.87 N ATOM 201 CA ARG A 690 14.328 -1.780 -1.631 1.00 0.87 C ATOM 202 C ARG A 690 14.976 -0.978 -0.531 1.00 0.85 C ATOM 203 O ARG A 690 15.063 0.248 -0.554 1.00 0.97 O ATOM 204 CB ARG A 690 14.446 -1.096 -2.983 1.00 1.06 C ATOM 205 CG ARG A 690 14.744 -2.086 -4.092 1.00 1.22 C ATOM 206 CD ARG A 690 13.742 -3.232 -4.097 1.00 1.47 C ATOM 207 NE ARG A 690 14.372 -4.497 -4.484 1.00 2.19 N ATOM 208 CZ ARG A 690 13.712 -5.641 -4.668 1.00 2.74 C ATOM 209 NH1 ARG A 690 12.403 -5.700 -4.452 1.00 2.85 N ATOM 210 NH2 ARG A 690 14.364 -6.728 -5.068 1.00 3.57 N ATOM 0 H ARG A 690 12.281 -1.347 -1.631 1.00 0.87 H new ATOM 0 HA ARG A 690 14.854 -2.730 -1.725 1.00 0.87 H new ATOM 0 HB2 ARG A 690 13.518 -0.569 -3.206 1.00 1.06 H new ATOM 0 HB3 ARG A 690 15.236 -0.346 -2.943 1.00 1.06 H new ATOM 0 HG2 ARG A 690 14.719 -1.575 -5.054 1.00 1.22 H new ATOM 0 HG3 ARG A 690 15.752 -2.482 -3.967 1.00 1.22 H new ATOM 0 HD2 ARG A 690 13.299 -3.333 -3.106 1.00 1.47 H new ATOM 0 HD3 ARG A 690 12.930 -3.003 -4.787 1.00 1.47 H new ATOM 0 HE ARG A 690 15.383 -4.503 -4.622 1.00 2.19 H new ATOM 0 HH11 ARG A 690 11.899 -4.868 -4.144 1.00 2.85 H new ATOM 0 HH12 ARG A 690 11.902 -6.577 -4.594 1.00 2.85 H new ATOM 0 HH21 ARG A 690 15.370 -6.687 -5.234 1.00 3.57 H new ATOM 0 HH22 ARG A 690 13.859 -7.603 -5.209 1.00 3.57 H new ATOM 224 N GLU A 691 15.398 -1.750 0.430 1.00 0.74 N ATOM 225 CA GLU A 691 16.169 -1.339 1.568 1.00 0.73 C ATOM 226 C GLU A 691 17.609 -1.777 1.345 1.00 0.72 C ATOM 227 O GLU A 691 17.906 -2.348 0.294 1.00 0.76 O ATOM 228 CB GLU A 691 15.586 -1.930 2.857 1.00 0.70 C ATOM 229 CG GLU A 691 14.391 -1.163 3.404 1.00 0.99 C ATOM 230 CD GLU A 691 14.162 -1.422 4.881 1.00 1.45 C ATOM 231 OE1 GLU A 691 13.913 -2.589 5.253 1.00 1.87 O ATOM 232 OE2 GLU A 691 14.201 -0.464 5.679 1.00 1.98 O ATOM 0 H GLU A 691 15.199 -2.750 0.439 1.00 0.74 H new ATOM 0 HA GLU A 691 16.137 -0.255 1.680 1.00 0.73 H new ATOM 0 HB2 GLU A 691 15.288 -2.961 2.669 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.366 -1.957 3.618 1.00 0.70 H new ATOM 0 HG2 GLU A 691 14.545 -0.096 3.245 1.00 0.99 H new ATOM 0 HG3 GLU A 691 13.497 -1.443 2.846 1.00 0.99 H new ATOM 239 N PRO A 692 18.528 -1.447 2.266 1.00 0.77 N ATOM 240 CA PRO A 692 19.900 -2.005 2.335 1.00 0.85 C ATOM 241 C PRO A 692 20.003 -3.534 2.076 1.00 0.85 C ATOM 242 O PRO A 692 21.087 -4.111 2.189 1.00 1.01 O ATOM 243 CB PRO A 692 20.356 -1.681 3.770 1.00 0.96 C ATOM 244 CG PRO A 692 19.188 -1.019 4.435 1.00 0.96 C ATOM 245 CD PRO A 692 18.338 -0.461 3.334 1.00 0.88 C ATOM 0 HA PRO A 692 20.516 -1.570 1.548 1.00 0.85 H new ATOM 0 HB2 PRO A 692 20.645 -2.588 4.302 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.226 -1.024 3.764 1.00 0.96 H new ATOM 0 HG2 PRO A 692 18.626 -1.734 5.036 1.00 0.96 H new ATOM 0 HG3 PRO A 692 19.520 -0.229 5.108 1.00 0.96 H new ATOM 0 HD2 PRO A 692 17.292 -0.377 3.630 1.00 0.88 H new ATOM 0 HD3 PRO A 692 18.664 0.534 3.032 1.00 0.88 H new ATOM 253 N HIS A 693 18.869 -4.161 1.740 1.00 0.76 N ATOM 254 CA HIS A 693 18.690 -5.602 1.637 1.00 0.84 C ATOM 255 C HIS A 693 18.554 -6.197 3.013 1.00 0.83 C ATOM 256 O HIS A 693 19.243 -7.135 3.408 1.00 1.01 O ATOM 257 CB HIS A 693 19.814 -6.276 0.839 1.00 1.08 C ATOM 258 CG HIS A 693 19.485 -7.672 0.399 1.00 1.45 C ATOM 259 ND1 HIS A 693 20.435 -8.653 0.235 1.00 1.93 N ATOM 260 CD2 HIS A 693 18.301 -8.244 0.083 1.00 2.20 C ATOM 261 CE1 HIS A 693 19.851 -9.767 -0.164 1.00 2.48 C ATOM 262 NE2 HIS A 693 18.554 -9.545 -0.263 1.00 2.61 N ATOM 0 H HIS A 693 18.015 -3.647 1.524 1.00 0.76 H new ATOM 0 HA HIS A 693 17.772 -5.788 1.079 1.00 0.84 H new ATOM 0 HB2 HIS A 693 20.038 -5.671 -0.039 1.00 1.08 H new ATOM 0 HB3 HIS A 693 20.717 -6.300 1.449 1.00 1.08 H new ATOM 0 HD2 HIS A 693 17.334 -7.763 0.100 1.00 2.20 H new ATOM 0 HE1 HIS A 693 20.350 -10.702 -0.374 1.00 2.48 H new ATOM 0 HE2 HIS A 693 17.855 -10.230 -0.550 1.00 2.61 H new ATOM 271 N SER A 694 17.634 -5.588 3.733 1.00 0.71 N ATOM 272 CA SER A 694 17.077 -6.156 4.928 1.00 0.76 C ATOM 273 C SER A 694 15.937 -7.082 4.525 1.00 0.68 C ATOM 274 O SER A 694 15.718 -7.305 3.331 1.00 0.62 O ATOM 275 CB SER A 694 16.599 -5.044 5.855 1.00 0.82 C ATOM 276 OG SER A 694 16.268 -3.883 5.112 1.00 1.14 O ATOM 0 H SER A 694 17.252 -4.673 3.495 1.00 0.71 H new ATOM 0 HA SER A 694 17.827 -6.731 5.472 1.00 0.76 H new ATOM 0 HB2 SER A 694 15.729 -5.382 6.419 1.00 0.82 H new ATOM 0 HB3 SER A 694 17.377 -4.808 6.581 1.00 0.82 H new ATOM 0 HG SER A 694 15.362 -3.592 5.347 1.00 1.14 H new ATOM 282 N LYS A 695 15.234 -7.643 5.486 1.00 0.75 N ATOM 283 CA LYS A 695 14.150 -8.559 5.178 1.00 0.73 C ATOM 284 C LYS A 695 13.011 -7.844 4.440 1.00 0.59 C ATOM 285 O LYS A 695 12.837 -6.635 4.586 1.00 0.56 O ATOM 286 CB LYS A 695 13.633 -9.222 6.467 1.00 0.91 C ATOM 287 CG LYS A 695 13.893 -8.430 7.754 1.00 1.71 C ATOM 288 CD LYS A 695 13.284 -7.033 7.724 1.00 2.33 C ATOM 289 CE LYS A 695 13.332 -6.365 9.095 1.00 3.33 C ATOM 290 NZ LYS A 695 12.720 -5.005 9.089 1.00 4.08 N ATOM 0 H LYS A 695 15.390 -7.484 6.481 1.00 0.75 H new ATOM 0 HA LYS A 695 14.536 -9.334 4.516 1.00 0.73 H new ATOM 0 HB2 LYS A 695 12.560 -9.384 6.369 1.00 0.91 H new ATOM 0 HB3 LYS A 695 14.096 -10.204 6.563 1.00 0.91 H new ATOM 0 HG2 LYS A 695 13.485 -8.980 8.602 1.00 1.71 H new ATOM 0 HG3 LYS A 695 14.968 -8.349 7.914 1.00 1.71 H new ATOM 0 HD2 LYS A 695 13.820 -6.418 7.001 1.00 2.33 H new ATOM 0 HD3 LYS A 695 12.250 -7.094 7.385 1.00 2.33 H new ATOM 0 HE2 LYS A 695 12.811 -6.991 9.819 1.00 3.33 H new ATOM 0 HE3 LYS A 695 14.369 -6.292 9.424 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 12.778 -4.594 10.043 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 13.232 -4.397 8.419 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 11.723 -5.074 8.802 1.00 4.08 H new ATOM 304 N PRO A 696 12.237 -8.584 3.616 1.00 0.58 N ATOM 305 CA PRO A 696 11.081 -8.030 2.895 1.00 0.49 C ATOM 306 C PRO A 696 10.125 -7.331 3.850 1.00 0.45 C ATOM 307 O PRO A 696 9.861 -7.829 4.947 1.00 0.57 O ATOM 308 CB PRO A 696 10.418 -9.264 2.280 1.00 0.63 C ATOM 309 CG PRO A 696 11.525 -10.249 2.139 1.00 0.94 C ATOM 310 CD PRO A 696 12.440 -10.012 3.308 1.00 0.74 C ATOM 0 HA PRO A 696 11.366 -7.282 2.155 1.00 0.49 H new ATOM 0 HB2 PRO A 696 9.624 -9.648 2.920 1.00 0.63 H new ATOM 0 HB3 PRO A 696 9.967 -9.033 1.315 1.00 0.63 H new ATOM 0 HG2 PRO A 696 11.142 -11.270 2.143 1.00 0.94 H new ATOM 0 HG3 PRO A 696 12.053 -10.111 1.196 1.00 0.94 H new ATOM 0 HD2 PRO A 696 12.182 -10.647 4.156 1.00 0.74 H new ATOM 0 HD3 PRO A 696 13.479 -10.225 3.055 1.00 0.74 H new ATOM 318 N ILE A 697 9.593 -6.189 3.441 1.00 0.46 N ATOM 319 CA ILE A 697 8.943 -5.310 4.390 1.00 0.56 C ATOM 320 C ILE A 697 7.426 -5.314 4.273 1.00 0.51 C ATOM 321 O ILE A 697 6.841 -4.906 3.277 1.00 0.63 O ATOM 322 CB ILE A 697 9.504 -3.872 4.282 1.00 0.82 C ATOM 323 CG1 ILE A 697 10.945 -3.864 4.787 1.00 1.02 C ATOM 324 CG2 ILE A 697 8.661 -2.893 5.094 1.00 1.01 C ATOM 325 CD1 ILE A 697 11.072 -4.369 6.208 1.00 1.15 C ATOM 0 H ILE A 697 9.599 -5.857 2.477 1.00 0.46 H new ATOM 0 HA ILE A 697 9.172 -5.704 5.380 1.00 0.56 H new ATOM 0 HB ILE A 697 9.472 -3.556 3.239 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.558 -4.481 4.131 1.00 1.02 H new ATOM 0 HG13 ILE A 697 11.339 -2.849 4.730 1.00 1.02 H new ATOM 0 HG21 ILE A 697 9.077 -1.890 5.001 1.00 1.01 H new ATOM 0 HG22 ILE A 697 7.637 -2.897 4.720 1.00 1.01 H new ATOM 0 HG23 ILE A 697 8.665 -3.192 6.142 1.00 1.01 H new ATOM 0 HD11 ILE A 697 12.118 -4.340 6.512 1.00 1.15 H new ATOM 0 HD12 ILE A 697 10.483 -3.737 6.873 1.00 1.15 H new ATOM 0 HD13 ILE A 697 10.706 -5.394 6.264 1.00 1.15 H new ATOM 337 N LYS A 698 6.806 -5.785 5.329 1.00 0.56 N ATOM 338 CA LYS A 698 5.377 -5.704 5.484 1.00 0.65 C ATOM 339 C LYS A 698 5.081 -4.708 6.589 1.00 0.46 C ATOM 340 O LYS A 698 5.448 -4.925 7.745 1.00 0.52 O ATOM 341 CB LYS A 698 4.833 -7.107 5.797 1.00 1.04 C ATOM 342 CG LYS A 698 3.367 -7.183 6.207 1.00 1.91 C ATOM 343 CD LYS A 698 3.200 -7.202 7.715 1.00 2.12 C ATOM 344 CE LYS A 698 1.780 -7.580 8.104 1.00 2.62 C ATOM 345 NZ LYS A 698 1.625 -7.733 9.572 1.00 3.17 N ATOM 0 H LYS A 698 7.284 -6.238 6.108 1.00 0.56 H new ATOM 0 HA LYS A 698 4.887 -5.359 4.573 1.00 0.65 H new ATOM 0 HB2 LYS A 698 4.976 -7.734 4.917 1.00 1.04 H new ATOM 0 HB3 LYS A 698 5.435 -7.538 6.597 1.00 1.04 H new ATOM 0 HG2 LYS A 698 2.830 -6.329 5.793 1.00 1.91 H new ATOM 0 HG3 LYS A 698 2.917 -8.080 5.781 1.00 1.91 H new ATOM 0 HD2 LYS A 698 3.901 -7.912 8.153 1.00 2.12 H new ATOM 0 HD3 LYS A 698 3.443 -6.221 8.123 1.00 2.12 H new ATOM 0 HE2 LYS A 698 1.091 -6.816 7.745 1.00 2.62 H new ATOM 0 HE3 LYS A 698 1.506 -8.513 7.612 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 0.642 -7.991 9.792 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 2.263 -8.480 9.913 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 1.861 -6.835 10.041 1.00 3.17 H new ATOM 359 N PHE A 699 4.450 -3.603 6.236 1.00 0.41 N ATOM 360 CA PHE A 699 4.206 -2.551 7.198 1.00 0.33 C ATOM 361 C PHE A 699 2.723 -2.369 7.390 1.00 0.32 C ATOM 362 O PHE A 699 1.934 -2.576 6.464 1.00 0.33 O ATOM 363 CB PHE A 699 4.828 -1.231 6.738 1.00 0.41 C ATOM 364 CG PHE A 699 5.081 -0.260 7.858 1.00 0.77 C ATOM 365 CD1 PHE A 699 4.228 0.808 8.077 1.00 1.08 C ATOM 366 CD2 PHE A 699 6.174 -0.420 8.693 1.00 1.27 C ATOM 367 CE1 PHE A 699 4.460 1.699 9.110 1.00 1.58 C ATOM 368 CE2 PHE A 699 6.413 0.467 9.726 1.00 1.76 C ATOM 369 CZ PHE A 699 5.553 1.527 9.935 1.00 1.84 C ATOM 0 H PHE A 699 4.100 -3.414 5.297 1.00 0.41 H new ATOM 0 HA PHE A 699 4.667 -2.840 8.143 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.770 -1.440 6.231 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.169 -0.764 6.006 1.00 0.41 H new ATOM 0 HD1 PHE A 699 3.371 0.947 7.434 1.00 1.08 H new ATOM 0 HD2 PHE A 699 6.849 -1.249 8.535 1.00 1.27 H new ATOM 0 HE1 PHE A 699 3.787 2.528 9.270 1.00 1.58 H new ATOM 0 HE2 PHE A 699 7.271 0.331 10.368 1.00 1.76 H new ATOM 0 HZ PHE A 699 5.735 2.220 10.743 1.00 1.84 H new ATOM 379 N LEU A 700 2.344 -1.998 8.591 1.00 0.32 N ATOM 380 CA LEU A 700 0.981 -1.643 8.847 1.00 0.31 C ATOM 381 C LEU A 700 0.820 -0.147 8.677 1.00 0.28 C ATOM 382 O LEU A 700 1.249 0.639 9.522 1.00 0.34 O ATOM 383 CB LEU A 700 0.587 -2.074 10.263 1.00 0.38 C ATOM 384 CG LEU A 700 -0.719 -1.482 10.791 1.00 0.49 C ATOM 385 CD1 LEU A 700 -1.827 -1.629 9.765 1.00 0.98 C ATOM 386 CD2 LEU A 700 -1.113 -2.154 12.096 1.00 0.73 C ATOM 0 H LEU A 700 2.963 -1.937 9.399 1.00 0.32 H new ATOM 0 HA LEU A 700 0.326 -2.154 8.142 1.00 0.31 H new ATOM 0 HB2 LEU A 700 0.508 -3.161 10.284 1.00 0.38 H new ATOM 0 HB3 LEU A 700 1.392 -1.800 10.945 1.00 0.38 H new ATOM 0 HG LEU A 700 -0.564 -0.419 10.978 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -2.748 -1.201 10.161 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -1.548 -1.106 8.850 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -1.982 -2.685 9.546 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -2.045 -1.722 12.461 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -1.249 -3.222 11.929 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -0.328 -2.000 12.836 1.00 0.73 H new ATOM 398 N VAL A 701 0.200 0.240 7.582 1.00 0.25 N ATOM 399 CA VAL A 701 -0.156 1.613 7.384 1.00 0.27 C ATOM 400 C VAL A 701 -1.650 1.761 7.590 1.00 0.24 C ATOM 401 O VAL A 701 -2.451 1.179 6.854 1.00 0.28 O ATOM 402 CB VAL A 701 0.226 2.129 5.981 1.00 0.35 C ATOM 403 CG1 VAL A 701 1.725 2.360 5.892 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.239 1.162 4.902 1.00 0.41 C ATOM 0 H VAL A 701 -0.064 -0.384 6.820 1.00 0.25 H new ATOM 0 HA VAL A 701 0.400 2.211 8.106 1.00 0.27 H new ATOM 0 HB VAL A 701 -0.279 3.081 5.816 1.00 0.35 H new ATOM 0 HG11 VAL A 701 1.979 2.724 4.896 1.00 0.36 H new ATOM 0 HG12 VAL A 701 2.024 3.099 6.635 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.249 1.423 6.080 1.00 0.36 H new ATOM 0 HG21 VAL A 701 0.042 1.548 3.922 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.230 0.190 5.058 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.322 1.054 4.952 1.00 0.41 H new ATOM 414 N SER A 702 -2.058 2.474 8.611 1.00 0.26 N ATOM 415 CA SER A 702 -3.464 2.743 8.737 1.00 0.27 C ATOM 416 C SER A 702 -3.761 4.117 8.171 1.00 0.28 C ATOM 417 O SER A 702 -3.514 5.141 8.816 1.00 0.34 O ATOM 418 CB SER A 702 -3.877 2.652 10.205 1.00 0.34 C ATOM 419 OG SER A 702 -3.040 3.458 11.019 1.00 1.39 O ATOM 0 H SER A 702 -1.461 2.865 9.340 1.00 0.26 H new ATOM 0 HA SER A 702 -4.037 2.004 8.177 1.00 0.27 H new ATOM 0 HB2 SER A 702 -4.914 2.970 10.315 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.825 1.615 10.538 1.00 0.34 H new ATOM 0 HG SER A 702 -2.875 4.314 10.572 1.00 1.39 H new ATOM 425 N VAL A 703 -4.308 4.125 6.963 1.00 0.28 N ATOM 426 CA VAL A 703 -4.721 5.348 6.304 1.00 0.34 C ATOM 427 C VAL A 703 -5.858 5.036 5.352 1.00 0.36 C ATOM 428 O VAL A 703 -5.914 3.949 4.780 1.00 0.40 O ATOM 429 CB VAL A 703 -3.589 6.013 5.472 1.00 0.42 C ATOM 430 CG1 VAL A 703 -3.756 7.526 5.463 1.00 0.77 C ATOM 431 CG2 VAL A 703 -2.198 5.633 5.962 1.00 0.56 C ATOM 0 H VAL A 703 -4.476 3.281 6.415 1.00 0.28 H new ATOM 0 HA VAL A 703 -5.014 6.040 7.093 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.679 5.634 4.454 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -2.956 7.977 4.876 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -4.719 7.783 5.021 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -3.713 7.903 6.485 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.447 6.126 5.344 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -2.079 5.948 6.999 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -2.071 4.553 5.894 1.00 0.56 H new ATOM 441 N SER A 704 -6.732 5.992 5.167 1.00 0.44 N ATOM 442 CA SER A 704 -7.719 5.941 4.112 1.00 0.48 C ATOM 443 C SER A 704 -7.378 7.029 3.144 1.00 0.66 C ATOM 444 O SER A 704 -6.584 7.916 3.467 1.00 0.82 O ATOM 445 CB SER A 704 -9.126 6.203 4.652 1.00 0.49 C ATOM 446 OG SER A 704 -9.366 5.539 5.875 1.00 1.19 O ATOM 0 H SER A 704 -6.782 6.832 5.744 1.00 0.44 H new ATOM 0 HA SER A 704 -7.709 4.953 3.651 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.265 7.275 4.791 1.00 0.49 H new ATOM 0 HB3 SER A 704 -9.861 5.879 3.915 1.00 0.49 H new ATOM 0 HG SER A 704 -10.276 5.737 6.182 1.00 1.19 H new ATOM 452 N LYS A 705 -7.963 6.996 1.971 1.00 0.87 N ATOM 453 CA LYS A 705 -7.730 8.075 1.064 1.00 1.08 C ATOM 454 C LYS A 705 -8.573 9.259 1.490 1.00 0.96 C ATOM 455 O LYS A 705 -9.674 9.482 0.993 1.00 1.22 O ATOM 456 CB LYS A 705 -8.056 7.647 -0.372 1.00 1.57 C ATOM 457 CG LYS A 705 -9.522 7.329 -0.653 1.00 2.47 C ATOM 458 CD LYS A 705 -10.052 8.189 -1.795 1.00 3.17 C ATOM 459 CE LYS A 705 -11.566 8.344 -1.743 1.00 3.91 C ATOM 460 NZ LYS A 705 -12.010 9.093 -0.538 1.00 4.66 N ATOM 0 H LYS A 705 -8.582 6.258 1.637 1.00 0.87 H new ATOM 0 HA LYS A 705 -6.678 8.360 1.087 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -7.740 8.441 -1.048 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -7.460 6.767 -0.613 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -9.628 6.274 -0.906 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -10.115 7.502 0.245 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -9.586 9.173 -1.753 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -9.767 7.742 -2.747 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -11.908 8.863 -2.638 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -12.031 7.358 -1.749 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -12.693 8.518 -0.004 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -11.188 9.302 0.064 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -12.461 9.984 -0.829 1.00 4.66 H new ATOM 474 N GLU A 706 -8.078 10.016 2.442 1.00 0.96 N ATOM 475 CA GLU A 706 -8.676 11.295 2.681 1.00 1.16 C ATOM 476 C GLU A 706 -7.717 12.283 3.336 1.00 1.49 C ATOM 477 O GLU A 706 -7.801 12.515 4.541 1.00 1.84 O ATOM 478 CB GLU A 706 -9.911 11.087 3.571 1.00 1.55 C ATOM 479 CG GLU A 706 -10.999 12.145 3.428 1.00 1.85 C ATOM 480 CD GLU A 706 -10.745 13.390 4.253 1.00 2.27 C ATOM 481 OE1 GLU A 706 -11.047 13.387 5.462 1.00 2.69 O ATOM 482 OE2 GLU A 706 -10.227 14.381 3.692 1.00 2.79 O ATOM 0 H GLU A 706 -7.289 9.774 3.042 1.00 0.96 H new ATOM 0 HA GLU A 706 -8.953 11.729 1.720 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -10.342 10.112 3.344 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -9.588 11.059 4.612 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -11.085 12.426 2.378 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -11.955 11.713 3.722 1.00 1.85 H new ATOM 489 N ASN A 707 -6.780 12.840 2.581 1.00 1.81 N ATOM 490 CA ASN A 707 -6.575 14.268 2.593 1.00 2.13 C ATOM 491 C ASN A 707 -6.985 14.748 1.222 1.00 1.71 C ATOM 492 O ASN A 707 -7.667 15.758 1.050 1.00 1.87 O ATOM 493 CB ASN A 707 -5.120 14.668 2.867 1.00 2.79 C ATOM 494 CG ASN A 707 -4.613 14.232 4.227 1.00 3.37 C ATOM 495 OD1 ASN A 707 -4.858 14.893 5.237 1.00 3.87 O ATOM 496 ND2 ASN A 707 -3.860 13.145 4.255 1.00 3.89 N ATOM 0 H ASN A 707 -6.158 12.323 1.959 1.00 1.81 H new ATOM 0 HA ASN A 707 -7.158 14.716 3.398 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -4.482 14.236 2.096 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -5.029 15.751 2.785 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -3.458 12.826 5.136 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -3.681 12.626 3.395 1.00 3.89 H new ATOM 503 N SER A 708 -6.527 13.967 0.236 1.00 1.30 N ATOM 504 CA SER A 708 -6.869 14.169 -1.151 1.00 1.07 C ATOM 505 C SER A 708 -7.234 12.863 -1.869 1.00 0.94 C ATOM 506 O SER A 708 -8.326 12.708 -2.420 1.00 1.14 O ATOM 507 CB SER A 708 -5.650 14.763 -1.848 1.00 1.20 C ATOM 508 OG SER A 708 -5.965 15.196 -3.159 1.00 1.82 O ATOM 0 H SER A 708 -5.905 13.175 0.394 1.00 1.30 H new ATOM 0 HA SER A 708 -7.739 14.824 -1.191 1.00 1.07 H new ATOM 0 HB2 SER A 708 -5.270 15.603 -1.267 1.00 1.20 H new ATOM 0 HB3 SER A 708 -4.854 14.019 -1.890 1.00 1.20 H new ATOM 0 HG SER A 708 -5.165 15.574 -3.580 1.00 1.82 H new ATOM 514 N THR A 709 -6.279 11.923 -1.836 1.00 0.79 N ATOM 515 CA THR A 709 -6.272 10.793 -2.767 1.00 0.73 C ATOM 516 C THR A 709 -5.984 9.441 -2.094 1.00 0.64 C ATOM 517 O THR A 709 -5.613 9.373 -0.923 1.00 0.67 O ATOM 518 CB THR A 709 -5.252 11.049 -3.907 1.00 0.81 C ATOM 519 OG1 THR A 709 -5.276 9.982 -4.863 1.00 0.90 O ATOM 520 CG2 THR A 709 -3.842 11.209 -3.358 1.00 0.85 C ATOM 0 H THR A 709 -5.503 11.925 -1.174 1.00 0.79 H new ATOM 0 HA THR A 709 -7.281 10.724 -3.174 1.00 0.73 H new ATOM 0 HB THR A 709 -5.543 11.976 -4.401 1.00 0.81 H new ATOM 0 HG1 THR A 709 -6.172 9.913 -5.254 1.00 0.90 H new ATOM 0 HG21 THR A 709 -3.149 11.387 -4.181 1.00 0.85 H new ATOM 0 HG22 THR A 709 -3.813 12.054 -2.670 1.00 0.85 H new ATOM 0 HG23 THR A 709 -3.552 10.301 -2.830 1.00 0.85 H new ATOM 528 N ALA A 710 -6.135 8.370 -2.887 1.00 0.68 N ATOM 529 CA ALA A 710 -5.876 6.988 -2.458 1.00 0.65 C ATOM 530 C ALA A 710 -4.383 6.721 -2.350 1.00 0.48 C ATOM 531 O ALA A 710 -3.944 5.812 -1.650 1.00 0.46 O ATOM 532 CB ALA A 710 -6.501 6.022 -3.461 1.00 0.86 C ATOM 0 H ALA A 710 -6.444 8.440 -3.856 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.320 6.840 -1.474 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -6.311 4.996 -3.145 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -7.576 6.193 -3.509 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -6.063 6.186 -4.446 1.00 0.86 H new ATOM 538 N SER A 711 -3.628 7.532 -3.056 1.00 0.49 N ATOM 539 CA SER A 711 -2.187 7.360 -3.196 1.00 0.51 C ATOM 540 C SER A 711 -1.469 7.599 -1.870 1.00 0.43 C ATOM 541 O SER A 711 -0.433 6.999 -1.593 1.00 0.43 O ATOM 542 CB SER A 711 -1.660 8.308 -4.270 1.00 0.70 C ATOM 543 OG SER A 711 -2.433 8.197 -5.455 1.00 1.55 O ATOM 0 H SER A 711 -3.995 8.341 -3.558 1.00 0.49 H new ATOM 0 HA SER A 711 -1.988 6.331 -3.496 1.00 0.51 H new ATOM 0 HB2 SER A 711 -1.690 9.334 -3.904 1.00 0.70 H new ATOM 0 HB3 SER A 711 -0.617 8.078 -4.487 1.00 0.70 H new ATOM 0 HG SER A 711 -2.083 8.812 -6.133 1.00 1.55 H new ATOM 549 N GLU A 712 -2.052 8.460 -1.046 1.00 0.43 N ATOM 550 CA GLU A 712 -1.469 8.864 0.219 1.00 0.46 C ATOM 551 C GLU A 712 -1.188 7.661 1.116 1.00 0.39 C ATOM 552 O GLU A 712 -0.251 7.674 1.918 1.00 0.42 O ATOM 553 CB GLU A 712 -2.421 9.825 0.926 1.00 0.56 C ATOM 554 CG GLU A 712 -2.759 11.069 0.109 1.00 0.67 C ATOM 555 CD GLU A 712 -3.528 12.082 0.914 1.00 1.19 C ATOM 556 OE1 GLU A 712 -2.894 12.855 1.659 1.00 1.54 O ATOM 557 OE2 GLU A 712 -4.770 12.110 0.802 1.00 1.78 O ATOM 0 H GLU A 712 -2.951 8.900 -1.242 1.00 0.43 H new ATOM 0 HA GLU A 712 -0.518 9.358 0.017 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.344 9.297 1.165 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -1.975 10.133 1.872 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -1.838 11.522 -0.259 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -3.344 10.781 -0.765 1.00 0.67 H new ATOM 564 N VAL A 713 -2.009 6.626 0.992 1.00 0.34 N ATOM 565 CA VAL A 713 -1.829 5.426 1.785 1.00 0.33 C ATOM 566 C VAL A 713 -0.568 4.679 1.336 1.00 0.29 C ATOM 567 O VAL A 713 0.184 4.151 2.155 1.00 0.29 O ATOM 568 CB VAL A 713 -3.081 4.511 1.731 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.343 5.356 1.834 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.127 3.636 0.475 1.00 0.40 C ATOM 0 H VAL A 713 -2.802 6.597 0.351 1.00 0.34 H new ATOM 0 HA VAL A 713 -1.700 5.723 2.826 1.00 0.33 H new ATOM 0 HB VAL A 713 -3.019 3.832 2.581 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.219 4.708 1.796 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.338 5.904 2.776 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.377 6.062 1.004 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -4.025 3.019 0.494 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.142 4.271 -0.411 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.246 2.994 0.446 1.00 0.40 H new ATOM 580 N LEU A 714 -0.338 4.658 0.030 1.00 0.33 N ATOM 581 CA LEU A 714 0.858 4.064 -0.537 1.00 0.37 C ATOM 582 C LEU A 714 2.084 4.923 -0.197 1.00 0.34 C ATOM 583 O LEU A 714 3.195 4.416 -0.050 1.00 0.37 O ATOM 584 CB LEU A 714 0.678 3.868 -2.044 1.00 0.46 C ATOM 585 CG LEU A 714 1.389 4.871 -2.936 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.765 4.351 -3.293 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.569 5.148 -4.184 1.00 0.84 C ATOM 0 H LEU A 714 -0.975 5.052 -0.662 1.00 0.33 H new ATOM 0 HA LEU A 714 1.026 3.079 -0.101 1.00 0.37 H new ATOM 0 HB2 LEU A 714 1.027 2.869 -2.304 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.388 3.902 -2.270 1.00 0.46 H new ATOM 0 HG LEU A 714 1.502 5.812 -2.397 1.00 0.45 H new ATOM 0 HD11 LEU A 714 3.272 5.073 -3.933 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.345 4.203 -2.382 1.00 0.64 H new ATOM 0 HD13 LEU A 714 2.670 3.402 -3.821 1.00 0.64 H new ATOM 0 HD21 LEU A 714 1.093 5.869 -4.811 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.426 4.221 -4.739 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.402 5.554 -3.899 1.00 0.84 H new ATOM 599 N ASP A 715 1.875 6.238 -0.119 1.00 0.32 N ATOM 600 CA ASP A 715 2.913 7.175 0.323 1.00 0.34 C ATOM 601 C ASP A 715 3.439 6.779 1.691 1.00 0.32 C ATOM 602 O ASP A 715 4.639 6.842 1.951 1.00 0.36 O ATOM 603 CB ASP A 715 2.347 8.585 0.413 1.00 0.40 C ATOM 604 CG ASP A 715 2.455 9.370 -0.879 1.00 0.99 C ATOM 605 OD1 ASP A 715 1.685 9.096 -1.817 1.00 1.94 O ATOM 606 OD2 ASP A 715 3.302 10.289 -0.950 1.00 1.37 O ATOM 0 H ASP A 715 0.989 6.683 -0.358 1.00 0.32 H new ATOM 0 HA ASP A 715 3.723 7.146 -0.405 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.299 8.528 0.706 1.00 0.40 H new ATOM 0 HB3 ASP A 715 2.869 9.127 1.201 1.00 0.40 H new ATOM 611 N SER A 716 2.525 6.366 2.562 1.00 0.28 N ATOM 612 CA SER A 716 2.884 5.859 3.873 1.00 0.28 C ATOM 613 C SER A 716 3.818 4.660 3.742 1.00 0.30 C ATOM 614 O SER A 716 4.769 4.484 4.507 1.00 0.33 O ATOM 615 CB SER A 716 1.614 5.458 4.611 1.00 0.29 C ATOM 616 OG SER A 716 0.971 6.586 5.179 1.00 0.41 O ATOM 0 H SER A 716 1.522 6.375 2.377 1.00 0.28 H new ATOM 0 HA SER A 716 3.405 6.636 4.433 1.00 0.28 H new ATOM 0 HB2 SER A 716 0.933 4.957 3.922 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.858 4.742 5.396 1.00 0.29 H new ATOM 0 HG SER A 716 0.626 6.353 6.066 1.00 0.41 H new ATOM 622 N LEU A 717 3.526 3.855 2.750 1.00 0.32 N ATOM 623 CA LEU A 717 4.203 2.613 2.504 1.00 0.39 C ATOM 624 C LEU A 717 5.636 2.791 2.033 1.00 0.37 C ATOM 625 O LEU A 717 6.573 2.293 2.658 1.00 0.43 O ATOM 626 CB LEU A 717 3.402 1.923 1.432 1.00 0.52 C ATOM 627 CG LEU A 717 2.237 1.121 1.976 1.00 0.75 C ATOM 628 CD1 LEU A 717 1.729 0.140 0.951 1.00 1.42 C ATOM 629 CD2 LEU A 717 2.664 0.425 3.249 1.00 1.42 C ATOM 0 H LEU A 717 2.789 4.055 2.074 1.00 0.32 H new ATOM 0 HA LEU A 717 4.268 2.042 3.430 1.00 0.39 H new ATOM 0 HB2 LEU A 717 3.025 2.669 0.733 1.00 0.52 H new ATOM 0 HB3 LEU A 717 4.058 1.260 0.868 1.00 0.52 H new ATOM 0 HG LEU A 717 1.411 1.794 2.204 1.00 0.75 H new ATOM 0 HD11 LEU A 717 0.893 -0.422 1.368 1.00 1.42 H new ATOM 0 HD12 LEU A 717 1.397 0.680 0.064 1.00 1.42 H new ATOM 0 HD13 LEU A 717 2.529 -0.548 0.678 1.00 1.42 H new ATOM 0 HD21 LEU A 717 1.829 -0.154 3.645 1.00 1.42 H new ATOM 0 HD22 LEU A 717 3.499 -0.242 3.036 1.00 1.42 H new ATOM 0 HD23 LEU A 717 2.971 1.168 3.985 1.00 1.42 H new ATOM 641 N SER A 718 5.800 3.496 0.931 1.00 0.33 N ATOM 642 CA SER A 718 7.111 3.724 0.366 1.00 0.38 C ATOM 643 C SER A 718 8.009 4.561 1.277 1.00 0.30 C ATOM 644 O SER A 718 9.217 4.349 1.313 1.00 0.31 O ATOM 645 CB SER A 718 6.947 4.365 -0.995 1.00 0.50 C ATOM 646 OG SER A 718 6.467 3.423 -1.939 1.00 1.52 O ATOM 0 H SER A 718 5.035 3.922 0.408 1.00 0.33 H new ATOM 0 HA SER A 718 7.616 2.764 0.263 1.00 0.38 H new ATOM 0 HB2 SER A 718 6.254 5.203 -0.926 1.00 0.50 H new ATOM 0 HB3 SER A 718 7.903 4.768 -1.330 1.00 0.50 H new ATOM 0 HG SER A 718 5.543 3.643 -2.180 1.00 1.52 H new ATOM 652 N GLN A 719 7.440 5.493 2.033 1.00 0.29 N ATOM 653 CA GLN A 719 8.257 6.300 2.938 1.00 0.31 C ATOM 654 C GLN A 719 8.809 5.428 4.063 1.00 0.35 C ATOM 655 O GLN A 719 9.914 5.657 4.552 1.00 0.41 O ATOM 656 CB GLN A 719 7.469 7.477 3.504 1.00 0.37 C ATOM 657 CG GLN A 719 6.513 7.075 4.597 1.00 0.39 C ATOM 658 CD GLN A 719 5.741 8.245 5.167 1.00 0.48 C ATOM 659 OE1 GLN A 719 6.155 8.857 6.147 1.00 1.10 O ATOM 660 NE2 GLN A 719 4.623 8.577 4.543 1.00 1.35 N ATOM 0 H GLN A 719 6.443 5.707 2.041 1.00 0.29 H new ATOM 0 HA GLN A 719 9.090 6.710 2.367 1.00 0.31 H new ATOM 0 HB2 GLN A 719 8.165 8.220 3.893 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.911 7.954 2.698 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.810 6.339 4.205 1.00 0.39 H new ATOM 0 HG3 GLN A 719 7.070 6.589 5.398 1.00 0.39 H new ATOM 0 HE21 GLN A 719 4.314 8.042 3.732 1.00 1.35 H new ATOM 0 HE22 GLN A 719 4.070 9.368 4.873 1.00 1.35 H new ATOM 669 N SER A 720 8.034 4.416 4.457 1.00 0.35 N ATOM 670 CA SER A 720 8.506 3.388 5.376 1.00 0.45 C ATOM 671 C SER A 720 9.708 2.644 4.791 1.00 0.49 C ATOM 672 O SER A 720 10.495 2.026 5.511 1.00 0.60 O ATOM 673 CB SER A 720 7.367 2.415 5.650 1.00 0.50 C ATOM 674 OG SER A 720 6.336 3.039 6.397 1.00 0.51 O ATOM 0 H SER A 720 7.070 4.289 4.149 1.00 0.35 H new ATOM 0 HA SER A 720 8.826 3.857 6.307 1.00 0.45 H new ATOM 0 HB2 SER A 720 6.965 2.045 4.707 1.00 0.50 H new ATOM 0 HB3 SER A 720 7.745 1.551 6.196 1.00 0.50 H new ATOM 0 HG SER A 720 5.762 3.556 5.794 1.00 0.51 H new ATOM 680 N VAL A 721 9.829 2.726 3.481 1.00 0.45 N ATOM 681 CA VAL A 721 10.893 2.073 2.737 1.00 0.54 C ATOM 682 C VAL A 721 12.068 3.038 2.517 1.00 0.53 C ATOM 683 O VAL A 721 13.108 2.673 1.969 1.00 0.67 O ATOM 684 CB VAL A 721 10.335 1.578 1.386 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.414 0.993 0.510 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.234 0.572 1.611 1.00 0.70 C ATOM 0 H VAL A 721 9.184 3.254 2.894 1.00 0.45 H new ATOM 0 HA VAL A 721 11.263 1.221 3.307 1.00 0.54 H new ATOM 0 HB VAL A 721 9.926 2.443 0.863 1.00 0.58 H new ATOM 0 HG11 VAL A 721 10.977 0.657 -0.430 1.00 0.65 H new ATOM 0 HG12 VAL A 721 12.170 1.752 0.308 1.00 0.65 H new ATOM 0 HG13 VAL A 721 11.876 0.146 1.018 1.00 0.65 H new ATOM 0 HG21 VAL A 721 8.850 0.232 0.649 1.00 0.70 H new ATOM 0 HG22 VAL A 721 9.627 -0.279 2.167 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.428 1.036 2.180 1.00 0.70 H new ATOM 696 N HIS A 722 11.900 4.266 3.009 1.00 0.44 N ATOM 697 CA HIS A 722 12.899 5.333 2.832 1.00 0.50 C ATOM 698 C HIS A 722 13.011 5.691 1.359 1.00 0.47 C ATOM 699 O HIS A 722 14.081 6.039 0.860 1.00 0.60 O ATOM 700 CB HIS A 722 14.289 4.916 3.346 1.00 0.69 C ATOM 701 CG HIS A 722 14.345 4.522 4.792 1.00 1.37 C ATOM 702 ND1 HIS A 722 14.908 5.316 5.764 1.00 2.03 N ATOM 703 CD2 HIS A 722 13.949 3.391 5.420 1.00 2.30 C ATOM 704 CE1 HIS A 722 14.856 4.693 6.926 1.00 2.74 C ATOM 705 NE2 HIS A 722 14.278 3.519 6.746 1.00 2.91 N ATOM 0 H HIS A 722 11.076 4.553 3.538 1.00 0.44 H new ATOM 0 HA HIS A 722 12.562 6.191 3.414 1.00 0.50 H new ATOM 0 HB2 HIS A 722 14.645 4.080 2.744 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.981 5.742 3.184 1.00 0.69 H new ATOM 0 HD2 HIS A 722 13.463 2.543 4.962 1.00 2.30 H new ATOM 0 HE1 HIS A 722 15.224 5.078 7.866 1.00 2.74 H new ATOM 0 HE2 HIS A 722 14.105 2.823 7.472 1.00 2.91 H new ATOM 714 N VAL A 723 11.892 5.595 0.672 1.00 0.36 N ATOM 715 CA VAL A 723 11.832 5.888 -0.744 1.00 0.39 C ATOM 716 C VAL A 723 10.554 6.647 -1.067 1.00 0.36 C ATOM 717 O VAL A 723 9.579 6.584 -0.322 1.00 0.34 O ATOM 718 CB VAL A 723 11.894 4.600 -1.598 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.667 3.740 -1.361 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.030 4.933 -3.076 1.00 0.62 C ATOM 0 H VAL A 723 11.000 5.312 1.079 1.00 0.36 H new ATOM 0 HA VAL A 723 12.699 6.501 -0.989 1.00 0.39 H new ATOM 0 HB VAL A 723 12.776 4.037 -1.292 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.731 2.839 -1.971 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.615 3.462 -0.308 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.772 4.300 -1.633 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.071 4.010 -3.655 1.00 0.62 H new ATOM 0 HG22 VAL A 723 11.172 5.524 -3.396 1.00 0.62 H new ATOM 0 HG23 VAL A 723 12.944 5.504 -3.238 1.00 0.62 H new ATOM 730 N LYS A 724 10.582 7.399 -2.151 1.00 0.45 N ATOM 731 CA LYS A 724 9.386 8.026 -2.671 1.00 0.52 C ATOM 732 C LYS A 724 8.363 6.944 -3.028 1.00 0.44 C ATOM 733 O LYS A 724 8.728 5.798 -3.293 1.00 0.37 O ATOM 734 CB LYS A 724 9.747 8.827 -3.919 1.00 0.67 C ATOM 735 CG LYS A 724 10.806 9.890 -3.685 1.00 1.41 C ATOM 736 CD LYS A 724 11.754 9.965 -4.865 1.00 1.48 C ATOM 737 CE LYS A 724 12.633 8.724 -4.938 1.00 0.91 C ATOM 738 NZ LYS A 724 13.143 8.484 -6.313 1.00 1.46 N ATOM 0 H LYS A 724 11.427 7.590 -2.690 1.00 0.45 H new ATOM 0 HA LYS A 724 8.958 8.692 -1.922 1.00 0.52 H new ATOM 0 HB2 LYS A 724 10.099 8.141 -4.689 1.00 0.67 H new ATOM 0 HB3 LYS A 724 8.846 9.305 -4.305 1.00 0.67 H new ATOM 0 HG2 LYS A 724 10.330 10.858 -3.532 1.00 1.41 H new ATOM 0 HG3 LYS A 724 11.364 9.662 -2.777 1.00 1.41 H new ATOM 0 HD2 LYS A 724 11.184 10.066 -5.788 1.00 1.48 H new ATOM 0 HD3 LYS A 724 12.379 10.853 -4.778 1.00 1.48 H new ATOM 0 HE2 LYS A 724 13.474 8.834 -4.253 1.00 0.91 H new ATOM 0 HE3 LYS A 724 12.063 7.856 -4.606 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 13.854 7.726 -6.292 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 12.355 8.203 -6.931 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 13.577 9.355 -6.679 1.00 1.46 H new ATOM 752 N PRO A 725 7.067 7.327 -3.033 1.00 0.52 N ATOM 753 CA PRO A 725 5.901 6.448 -3.274 1.00 0.54 C ATOM 754 C PRO A 725 6.090 5.413 -4.385 1.00 0.49 C ATOM 755 O PRO A 725 5.411 4.391 -4.415 1.00 0.54 O ATOM 756 CB PRO A 725 4.778 7.427 -3.659 1.00 0.68 C ATOM 757 CG PRO A 725 5.396 8.791 -3.658 1.00 0.83 C ATOM 758 CD PRO A 725 6.610 8.699 -2.787 1.00 0.67 C ATOM 0 HA PRO A 725 5.703 5.845 -2.388 1.00 0.54 H new ATOM 0 HB2 PRO A 725 4.370 7.185 -4.640 1.00 0.68 H new ATOM 0 HB3 PRO A 725 3.953 7.373 -2.948 1.00 0.68 H new ATOM 0 HG2 PRO A 725 5.665 9.097 -4.669 1.00 0.83 H new ATOM 0 HG3 PRO A 725 4.697 9.535 -3.275 1.00 0.83 H new ATOM 0 HD2 PRO A 725 7.365 9.435 -3.063 1.00 0.67 H new ATOM 0 HD3 PRO A 725 6.371 8.866 -1.737 1.00 0.67 H new ATOM 766 N GLU A 726 6.995 5.697 -5.290 1.00 0.44 N ATOM 767 CA GLU A 726 7.155 4.956 -6.530 1.00 0.48 C ATOM 768 C GLU A 726 7.474 3.471 -6.338 1.00 0.51 C ATOM 769 O GLU A 726 7.348 2.700 -7.280 1.00 0.62 O ATOM 770 CB GLU A 726 8.306 5.559 -7.320 1.00 0.45 C ATOM 771 CG GLU A 726 8.565 7.028 -7.033 1.00 0.67 C ATOM 772 CD GLU A 726 9.744 7.574 -7.813 1.00 1.53 C ATOM 773 OE1 GLU A 726 10.899 7.381 -7.375 1.00 2.38 O ATOM 774 OE2 GLU A 726 9.526 8.199 -8.873 1.00 1.89 O ATOM 0 H GLU A 726 7.658 6.465 -5.188 1.00 0.44 H new ATOM 0 HA GLU A 726 6.197 5.027 -7.044 1.00 0.48 H new ATOM 0 HB2 GLU A 726 9.213 4.994 -7.105 1.00 0.45 H new ATOM 0 HB3 GLU A 726 8.101 5.440 -8.384 1.00 0.45 H new ATOM 0 HG2 GLU A 726 7.673 7.605 -7.278 1.00 0.67 H new ATOM 0 HG3 GLU A 726 8.747 7.160 -5.966 1.00 0.67 H new ATOM 781 N ASN A 727 7.850 3.056 -5.139 1.00 0.45 N ATOM 782 CA ASN A 727 8.449 1.725 -4.975 1.00 0.48 C ATOM 783 C ASN A 727 7.417 0.613 -4.862 1.00 0.48 C ATOM 784 O ASN A 727 7.725 -0.542 -5.149 1.00 0.52 O ATOM 785 CB ASN A 727 9.270 1.664 -3.700 1.00 0.51 C ATOM 786 CG ASN A 727 10.480 0.767 -3.806 1.00 1.11 C ATOM 787 OD1 ASN A 727 10.424 -0.415 -3.467 1.00 1.74 O ATOM 788 ND2 ASN A 727 11.588 1.321 -4.265 1.00 1.84 N ATOM 0 H ASN A 727 7.758 3.599 -4.280 1.00 0.45 H new ATOM 0 HA ASN A 727 9.056 1.575 -5.868 1.00 0.48 H new ATOM 0 HB2 ASN A 727 9.596 2.671 -3.438 1.00 0.51 H new ATOM 0 HB3 ASN A 727 8.637 1.312 -2.886 1.00 0.51 H new ATOM 0 HD21 ASN A 727 12.439 0.765 -4.349 1.00 1.84 H new ATOM 0 HD22 ASN A 727 11.592 2.305 -4.535 1.00 1.84 H new ATOM 795 N LEU A 728 6.204 0.921 -4.434 1.00 0.48 N ATOM 796 CA LEU A 728 5.207 -0.129 -4.308 1.00 0.47 C ATOM 797 C LEU A 728 3.834 0.379 -4.642 1.00 0.47 C ATOM 798 O LEU A 728 3.395 1.391 -4.116 1.00 0.63 O ATOM 799 CB LEU A 728 5.217 -0.650 -2.877 1.00 0.70 C ATOM 800 CG LEU A 728 6.486 -0.319 -2.110 1.00 1.26 C ATOM 801 CD1 LEU A 728 6.161 0.299 -0.761 1.00 1.83 C ATOM 802 CD2 LEU A 728 7.369 -1.543 -1.945 1.00 1.87 C ATOM 0 H LEU A 728 5.892 1.857 -4.175 1.00 0.48 H new ATOM 0 HA LEU A 728 5.453 -0.927 -5.008 1.00 0.47 H new ATOM 0 HB2 LEU A 728 4.363 -0.234 -2.343 1.00 0.70 H new ATOM 0 HB3 LEU A 728 5.086 -1.732 -2.894 1.00 0.70 H new ATOM 0 HG LEU A 728 7.042 0.414 -2.694 1.00 1.26 H new ATOM 0 HD11 LEU A 728 7.087 0.526 -0.232 1.00 1.83 H new ATOM 0 HD12 LEU A 728 5.593 1.217 -0.909 1.00 1.83 H new ATOM 0 HD13 LEU A 728 5.570 -0.403 -0.172 1.00 1.83 H new ATOM 0 HD21 LEU A 728 8.268 -1.271 -1.392 1.00 1.87 H new ATOM 0 HD22 LEU A 728 6.825 -2.313 -1.397 1.00 1.87 H new ATOM 0 HD23 LEU A 728 7.648 -1.925 -2.927 1.00 1.87 H new ATOM 814 N ARG A 729 3.162 -0.323 -5.536 1.00 0.36 N ATOM 815 CA ARG A 729 1.746 -0.138 -5.722 1.00 0.41 C ATOM 816 C ARG A 729 1.098 -1.438 -6.200 1.00 0.32 C ATOM 817 O ARG A 729 1.394 -1.937 -7.275 1.00 0.34 O ATOM 818 CB ARG A 729 1.535 1.009 -6.714 1.00 0.56 C ATOM 819 CG ARG A 729 2.657 1.153 -7.752 1.00 0.70 C ATOM 820 CD ARG A 729 2.676 0.005 -8.753 1.00 0.54 C ATOM 821 NE ARG A 729 1.463 0.014 -9.581 1.00 1.21 N ATOM 822 CZ ARG A 729 1.125 -0.941 -10.455 1.00 1.75 C ATOM 823 NH1 ARG A 729 1.905 -1.995 -10.634 1.00 2.18 N ATOM 824 NH2 ARG A 729 0.006 -0.827 -11.161 1.00 2.58 N ATOM 0 H ARG A 729 3.581 -1.027 -6.143 1.00 0.36 H new ATOM 0 HA ARG A 729 1.267 0.123 -4.778 1.00 0.41 H new ATOM 0 HB2 ARG A 729 0.590 0.856 -7.235 1.00 0.56 H new ATOM 0 HB3 ARG A 729 1.445 1.943 -6.159 1.00 0.56 H new ATOM 0 HG2 ARG A 729 2.534 2.095 -8.287 1.00 0.70 H new ATOM 0 HG3 ARG A 729 3.618 1.200 -7.240 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.557 0.087 -9.390 1.00 0.54 H new ATOM 0 HD3 ARG A 729 2.753 -0.944 -8.223 1.00 0.54 H new ATOM 0 HE ARG A 729 0.831 0.808 -9.482 1.00 1.21 H new ATOM 0 HH11 ARG A 729 2.772 -2.084 -10.104 1.00 2.18 H new ATOM 0 HH12 ARG A 729 1.640 -2.718 -11.302 1.00 2.18 H new ATOM 0 HH21 ARG A 729 -0.595 -0.012 -11.037 1.00 2.58 H new ATOM 0 HH22 ARG A 729 -0.253 -1.554 -11.828 1.00 2.58 H new ATOM 838 N LEU A 730 0.289 -2.041 -5.363 1.00 0.32 N ATOM 839 CA LEU A 730 -0.578 -3.120 -5.789 1.00 0.34 C ATOM 840 C LEU A 730 -1.746 -3.214 -4.852 1.00 0.42 C ATOM 841 O LEU A 730 -1.514 -3.641 -3.744 1.00 0.73 O ATOM 842 CB LEU A 730 0.186 -4.425 -5.723 1.00 0.37 C ATOM 843 CG LEU A 730 -0.442 -5.543 -6.543 1.00 0.53 C ATOM 844 CD1 LEU A 730 -0.522 -5.149 -8.012 1.00 1.23 C ATOM 845 CD2 LEU A 730 0.334 -6.830 -6.388 1.00 1.22 C ATOM 0 H LEU A 730 0.211 -1.802 -4.374 1.00 0.32 H new ATOM 0 HA LEU A 730 -0.921 -2.930 -6.806 1.00 0.34 H new ATOM 0 HB2 LEU A 730 1.205 -4.258 -6.073 1.00 0.37 H new ATOM 0 HB3 LEU A 730 0.255 -4.744 -4.683 1.00 0.37 H new ATOM 0 HG LEU A 730 -1.453 -5.707 -6.169 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -0.974 -5.961 -8.582 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.131 -4.251 -8.115 1.00 1.23 H new ATOM 0 HD13 LEU A 730 0.481 -4.953 -8.391 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.136 -7.612 -6.984 1.00 1.22 H new ATOM 0 HD22 LEU A 730 1.359 -6.680 -6.729 1.00 1.22 H new ATOM 0 HD23 LEU A 730 0.340 -7.127 -5.339 1.00 1.22 H new ATOM 857 N ALA A 731 -2.981 -2.971 -5.250 1.00 0.34 N ATOM 858 CA ALA A 731 -4.017 -3.027 -4.255 1.00 0.37 C ATOM 859 C ALA A 731 -4.904 -4.236 -4.455 1.00 0.37 C ATOM 860 O ALA A 731 -5.654 -4.321 -5.422 1.00 0.50 O ATOM 861 CB ALA A 731 -4.843 -1.751 -4.290 1.00 0.46 C ATOM 0 H ALA A 731 -3.275 -2.746 -6.201 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.545 -3.118 -3.277 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -5.625 -1.803 -3.533 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.199 -0.895 -4.088 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.298 -1.639 -5.274 1.00 0.46 H new ATOM 867 N GLU A 732 -4.910 -5.117 -3.480 1.00 0.39 N ATOM 868 CA GLU A 732 -5.722 -6.304 -3.571 1.00 0.46 C ATOM 869 C GLU A 732 -6.877 -6.231 -2.595 1.00 0.57 C ATOM 870 O GLU A 732 -6.692 -6.268 -1.395 1.00 0.66 O ATOM 871 CB GLU A 732 -4.819 -7.532 -3.328 1.00 0.66 C ATOM 872 CG GLU A 732 -5.209 -8.440 -2.167 1.00 0.76 C ATOM 873 CD GLU A 732 -4.294 -9.639 -2.026 1.00 0.78 C ATOM 874 OE1 GLU A 732 -3.061 -9.466 -2.064 1.00 1.02 O ATOM 875 OE2 GLU A 732 -4.804 -10.769 -1.861 1.00 1.19 O ATOM 0 H GLU A 732 -4.365 -5.033 -2.622 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.164 -6.392 -4.563 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -4.803 -8.130 -4.239 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -3.801 -7.180 -3.160 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -5.192 -7.865 -1.241 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -6.233 -8.785 -2.310 1.00 0.76 H new ATOM 882 N VAL A 733 -8.077 -6.231 -3.133 1.00 0.69 N ATOM 883 CA VAL A 733 -9.273 -6.057 -2.333 1.00 0.90 C ATOM 884 C VAL A 733 -9.935 -7.387 -2.102 1.00 1.17 C ATOM 885 O VAL A 733 -9.957 -8.241 -2.985 1.00 1.35 O ATOM 886 CB VAL A 733 -10.286 -5.055 -2.929 1.00 1.19 C ATOM 887 CG1 VAL A 733 -9.817 -3.630 -2.716 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.529 -5.315 -4.399 1.00 1.64 C ATOM 0 H VAL A 733 -8.253 -6.351 -4.131 1.00 0.69 H new ATOM 0 HA VAL A 733 -8.946 -5.627 -1.386 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.232 -5.196 -2.406 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -10.545 -2.940 -3.143 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -9.716 -3.436 -1.648 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -8.852 -3.488 -3.203 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -11.247 -4.590 -4.783 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -9.591 -5.220 -4.945 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -10.925 -6.322 -4.530 1.00 1.64 H new ATOM 898 N ILE A 734 -10.492 -7.535 -0.922 1.00 1.30 N ATOM 899 CA ILE A 734 -10.918 -8.803 -0.413 1.00 1.65 C ATOM 900 C ILE A 734 -12.432 -8.914 -0.588 1.00 1.93 C ATOM 901 O ILE A 734 -12.962 -8.177 -1.403 1.00 2.17 O ATOM 902 CB ILE A 734 -10.506 -8.825 1.072 1.00 1.81 C ATOM 903 CG1 ILE A 734 -10.535 -10.212 1.668 1.00 1.91 C ATOM 904 CG2 ILE A 734 -11.375 -7.881 1.894 1.00 2.43 C ATOM 905 CD1 ILE A 734 -9.572 -11.183 1.019 1.00 2.42 C ATOM 0 H ILE A 734 -10.661 -6.758 -0.283 1.00 1.30 H new ATOM 0 HA ILE A 734 -10.468 -9.648 -0.935 1.00 1.65 H new ATOM 0 HB ILE A 734 -9.472 -8.481 1.107 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -10.304 -10.144 2.731 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -11.546 -10.610 1.586 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -11.063 -7.916 2.938 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -11.266 -6.864 1.516 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -12.418 -8.187 1.817 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -9.654 -12.156 1.504 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -9.814 -11.283 -0.039 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -8.553 -10.810 1.124 1.00 2.42 H new ATOM 917 N LYS A 735 -13.122 -9.701 0.243 1.00 2.29 N ATOM 918 CA LYS A 735 -14.515 -10.143 0.006 1.00 2.61 C ATOM 919 C LYS A 735 -15.042 -9.809 -1.412 1.00 2.77 C ATOM 920 O LYS A 735 -14.335 -10.007 -2.403 1.00 2.76 O ATOM 921 CB LYS A 735 -15.419 -9.516 1.079 1.00 2.76 C ATOM 922 CG LYS A 735 -16.688 -10.308 1.363 1.00 3.27 C ATOM 923 CD LYS A 735 -16.372 -11.712 1.857 1.00 3.69 C ATOM 924 CE LYS A 735 -15.635 -11.689 3.186 1.00 3.70 C ATOM 925 NZ LYS A 735 -15.168 -13.043 3.582 1.00 4.16 N ATOM 0 H LYS A 735 -12.730 -10.058 1.114 1.00 2.29 H new ATOM 0 HA LYS A 735 -14.530 -11.231 0.073 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -14.851 -9.416 2.004 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -15.695 -8.510 0.764 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -17.285 -9.785 2.110 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -17.291 -10.367 0.457 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -17.298 -12.277 1.964 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -15.766 -12.231 1.114 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -14.781 -11.016 3.116 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -16.292 -11.291 3.959 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -14.670 -12.986 4.493 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -15.986 -13.679 3.673 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -14.521 -13.413 2.857 1.00 4.16 H new ATOM 939 N ASN A 736 -16.312 -9.448 -1.520 1.00 3.04 N ATOM 940 CA ASN A 736 -16.978 -9.247 -2.817 1.00 3.32 C ATOM 941 C ASN A 736 -16.236 -8.264 -3.746 1.00 3.14 C ATOM 942 O ASN A 736 -16.543 -8.191 -4.939 1.00 3.36 O ATOM 943 CB ASN A 736 -18.398 -8.736 -2.580 1.00 3.66 C ATOM 944 CG ASN A 736 -19.203 -9.648 -1.677 1.00 4.18 C ATOM 945 OD1 ASN A 736 -19.033 -10.867 -1.684 1.00 4.64 O ATOM 946 ND2 ASN A 736 -20.071 -9.059 -0.873 1.00 4.60 N ATOM 0 H ASN A 736 -16.918 -9.284 -0.716 1.00 3.04 H new ATOM 0 HA ASN A 736 -16.983 -10.214 -3.320 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -18.353 -7.741 -2.138 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -18.909 -8.636 -3.538 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -20.629 -9.618 -0.228 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -20.182 -8.045 -0.898 1.00 4.60 H new ATOM 953 N ARG A 737 -15.282 -7.508 -3.201 1.00 2.79 N ATOM 954 CA ARG A 737 -14.473 -6.571 -3.989 1.00 2.61 C ATOM 955 C ARG A 737 -13.758 -7.310 -5.121 1.00 2.47 C ATOM 956 O ARG A 737 -13.990 -7.036 -6.301 1.00 3.05 O ATOM 957 CB ARG A 737 -13.426 -5.913 -3.092 1.00 2.49 C ATOM 958 CG ARG A 737 -13.975 -5.438 -1.762 1.00 2.59 C ATOM 959 CD ARG A 737 -14.835 -4.200 -1.918 1.00 3.00 C ATOM 960 NE ARG A 737 -15.703 -3.995 -0.762 1.00 3.54 N ATOM 961 CZ ARG A 737 -16.988 -3.654 -0.859 1.00 4.23 C ATOM 962 NH1 ARG A 737 -17.524 -3.412 -2.050 1.00 4.51 N ATOM 963 NH2 ARG A 737 -17.730 -3.547 0.238 1.00 4.95 N ATOM 0 H ARG A 737 -15.048 -7.526 -2.208 1.00 2.79 H new ATOM 0 HA ARG A 737 -15.133 -5.813 -4.410 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -12.619 -6.623 -2.909 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -12.990 -5.064 -3.619 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -14.564 -6.234 -1.306 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -13.149 -5.224 -1.084 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -14.196 -3.327 -2.052 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -15.443 -4.291 -2.818 1.00 3.00 H new ATOM 0 HE ARG A 737 -15.305 -4.119 0.169 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -16.952 -3.487 -2.891 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -18.507 -3.151 -2.123 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -17.316 -3.726 1.153 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -18.713 -3.286 0.165 1.00 4.95 H new ATOM 977 N PHE A 738 -12.881 -8.238 -4.733 1.00 2.24 N ATOM 978 CA PHE A 738 -12.203 -9.143 -5.663 1.00 2.27 C ATOM 979 C PHE A 738 -11.323 -8.394 -6.680 1.00 2.12 C ATOM 980 O PHE A 738 -11.703 -8.224 -7.839 1.00 2.16 O ATOM 981 CB PHE A 738 -13.246 -10.008 -6.381 1.00 2.70 C ATOM 982 CG PHE A 738 -12.691 -11.268 -6.978 1.00 3.11 C ATOM 983 CD1 PHE A 738 -12.576 -11.412 -8.350 1.00 3.38 C ATOM 984 CD2 PHE A 738 -12.293 -12.314 -6.161 1.00 3.68 C ATOM 985 CE1 PHE A 738 -12.072 -12.577 -8.896 1.00 4.26 C ATOM 986 CE2 PHE A 738 -11.788 -13.480 -6.702 1.00 4.52 C ATOM 987 CZ PHE A 738 -11.678 -13.613 -8.071 1.00 4.83 C ATOM 0 H PHE A 738 -12.620 -8.384 -3.758 1.00 2.24 H new ATOM 0 HA PHE A 738 -11.532 -9.777 -5.084 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -14.034 -10.270 -5.675 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -13.710 -9.418 -7.171 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -12.883 -10.606 -9.000 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -12.379 -12.216 -5.089 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -11.986 -12.678 -9.968 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -11.479 -14.287 -6.054 1.00 4.52 H new ATOM 0 HZ PHE A 738 -11.285 -14.524 -8.497 1.00 4.83 H new ATOM 997 N HIS A 739 -10.151 -7.944 -6.229 1.00 2.05 N ATOM 998 CA HIS A 739 -9.144 -7.324 -7.108 1.00 2.04 C ATOM 999 C HIS A 739 -7.761 -7.481 -6.486 1.00 1.03 C ATOM 1000 O HIS A 739 -7.644 -7.964 -5.362 1.00 1.01 O ATOM 1001 CB HIS A 739 -9.425 -5.833 -7.363 1.00 2.97 C ATOM 1002 CG HIS A 739 -10.428 -5.561 -8.448 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -11.729 -5.173 -8.198 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -10.303 -5.597 -9.797 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -12.355 -4.980 -9.344 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -11.514 -5.231 -10.328 1.00 5.71 N ATOM 0 H HIS A 739 -9.869 -7.996 -5.250 1.00 2.05 H new ATOM 0 HA HIS A 739 -9.191 -7.835 -8.070 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -9.780 -5.380 -6.437 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -8.488 -5.339 -7.621 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -9.415 -5.864 -10.351 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -13.383 -4.669 -9.457 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -11.729 -5.164 -11.323 1.00 5.71 H new ATOM 1015 N ARG A 740 -6.722 -7.065 -7.202 1.00 0.94 N ATOM 1016 CA ARG A 740 -5.352 -7.319 -6.766 1.00 1.03 C ATOM 1017 C ARG A 740 -4.418 -6.131 -7.042 1.00 0.82 C ATOM 1018 O ARG A 740 -3.324 -6.062 -6.492 1.00 1.05 O ATOM 1019 CB ARG A 740 -4.838 -8.575 -7.476 1.00 2.21 C ATOM 1020 CG ARG A 740 -3.500 -9.077 -6.968 1.00 3.05 C ATOM 1021 CD ARG A 740 -3.109 -10.384 -7.636 1.00 4.00 C ATOM 1022 NE ARG A 740 -1.875 -10.933 -7.082 1.00 4.84 N ATOM 1023 CZ ARG A 740 -1.265 -12.018 -7.556 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -1.811 -12.704 -8.554 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -0.123 -12.427 -7.019 1.00 6.71 N ATOM 0 H ARG A 740 -6.800 -6.554 -8.081 1.00 0.94 H new ATOM 0 HA ARG A 740 -5.358 -7.465 -5.686 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -5.577 -9.369 -7.365 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -4.753 -8.366 -8.542 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -2.733 -8.326 -7.157 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -3.549 -9.219 -5.888 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -3.915 -11.108 -7.515 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -2.985 -10.221 -8.707 1.00 4.00 H new ATOM 0 HE ARG A 740 -1.455 -10.457 -6.284 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -2.697 -12.400 -8.957 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -1.344 -13.535 -8.917 1.00 6.12 H new ATOM 0 HH21 ARG A 740 0.289 -11.910 -6.242 1.00 6.71 H new ATOM 0 HH22 ARG A 740 0.343 -13.258 -7.383 1.00 6.71 H new ATOM 1039 N VAL A 741 -4.914 -5.137 -7.777 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.072 -4.087 -8.351 1.00 0.46 C ATOM 1041 C VAL A 741 -4.392 -2.718 -7.742 1.00 0.43 C ATOM 1042 O VAL A 741 -5.505 -2.473 -7.320 1.00 0.46 O ATOM 1043 CB VAL A 741 -4.258 -4.019 -9.876 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -3.629 -5.233 -10.542 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -5.735 -3.916 -10.238 1.00 1.06 C ATOM 0 H VAL A 741 -5.906 -5.036 -7.991 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.037 -4.339 -8.120 1.00 0.46 H new ATOM 0 HB VAL A 741 -3.756 -3.123 -10.242 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -3.769 -5.170 -11.621 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -2.563 -5.261 -10.316 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -4.103 -6.140 -10.167 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -5.842 -3.869 -11.322 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -6.264 -4.790 -9.859 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -6.157 -3.015 -9.793 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.393 -1.837 -7.645 1.00 0.42 N ATOM 1056 CA PHE A 742 -3.589 -0.543 -6.995 1.00 0.42 C ATOM 1057 C PHE A 742 -4.447 0.360 -7.852 1.00 0.45 C ATOM 1058 O PHE A 742 -4.037 0.801 -8.928 1.00 0.55 O ATOM 1059 CB PHE A 742 -2.255 0.137 -6.676 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.320 1.041 -5.480 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -1.701 0.658 -4.309 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -2.998 2.253 -5.513 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -1.749 1.457 -3.185 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -3.049 3.060 -4.392 1.00 0.75 C ATOM 1065 CZ PHE A 742 -2.424 2.661 -3.227 1.00 1.13 C ATOM 0 H PHE A 742 -2.452 -1.995 -8.004 1.00 0.42 H new ATOM 0 HA PHE A 742 -4.103 -0.726 -6.052 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -1.497 -0.628 -6.504 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -1.933 0.715 -7.542 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -1.170 -0.282 -4.271 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -3.489 2.567 -6.422 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -1.260 1.142 -2.275 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.577 4.001 -4.427 1.00 0.75 H new ATOM 0 HZ PHE A 742 -2.463 3.290 -2.350 1.00 1.13 H new ATOM 1075 N LEU A 743 -5.638 0.627 -7.361 1.00 0.48 N ATOM 1076 CA LEU A 743 -6.622 1.380 -8.105 1.00 0.61 C ATOM 1077 C LEU A 743 -6.494 2.879 -7.856 1.00 0.55 C ATOM 1078 O LEU A 743 -5.936 3.305 -6.839 1.00 0.48 O ATOM 1079 CB LEU A 743 -8.033 0.906 -7.734 1.00 0.78 C ATOM 1080 CG LEU A 743 -8.304 -0.585 -7.958 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -9.691 -0.954 -7.455 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -8.161 -0.939 -9.431 1.00 1.67 C ATOM 0 H LEU A 743 -5.950 0.329 -6.437 1.00 0.48 H new ATOM 0 HA LEU A 743 -6.443 1.204 -9.166 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -8.211 1.137 -6.684 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -8.755 1.481 -8.314 1.00 0.78 H new ATOM 0 HG LEU A 743 -7.567 -1.157 -7.394 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -9.868 -2.017 -7.622 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -9.761 -0.737 -6.389 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -10.440 -0.373 -7.993 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -8.357 -2.002 -9.570 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -8.875 -0.359 -10.016 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -7.148 -0.710 -9.764 1.00 1.67 H new ATOM 1094 N PRO A 744 -6.980 3.692 -8.812 1.00 0.66 N ATOM 1095 CA PRO A 744 -7.143 5.142 -8.639 1.00 0.67 C ATOM 1096 C PRO A 744 -7.940 5.480 -7.378 1.00 0.62 C ATOM 1097 O PRO A 744 -8.532 4.588 -6.764 1.00 0.64 O ATOM 1098 CB PRO A 744 -7.906 5.570 -9.893 1.00 0.80 C ATOM 1099 CG PRO A 744 -7.554 4.546 -10.912 1.00 1.06 C ATOM 1100 CD PRO A 744 -7.402 3.254 -10.158 1.00 0.83 C ATOM 0 HA PRO A 744 -6.187 5.653 -8.520 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -8.981 5.598 -9.713 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -7.611 6.568 -10.216 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -8.332 4.466 -11.671 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -6.630 4.809 -11.428 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -8.338 2.696 -10.124 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -6.659 2.604 -10.620 1.00 0.83 H new ATOM 1108 N SER A 745 -7.923 6.760 -6.991 1.00 0.64 N ATOM 1109 CA SER A 745 -8.588 7.240 -5.776 1.00 0.67 C ATOM 1110 C SER A 745 -9.925 6.535 -5.555 1.00 0.73 C ATOM 1111 O SER A 745 -10.917 6.819 -6.226 1.00 0.78 O ATOM 1112 CB SER A 745 -8.799 8.750 -5.867 1.00 0.74 C ATOM 1113 OG SER A 745 -7.571 9.417 -6.104 1.00 1.20 O ATOM 0 H SER A 745 -7.446 7.494 -7.514 1.00 0.64 H new ATOM 0 HA SER A 745 -7.947 7.011 -4.924 1.00 0.67 H new ATOM 0 HB2 SER A 745 -9.501 8.976 -6.669 1.00 0.74 H new ATOM 0 HB3 SER A 745 -9.244 9.116 -4.942 1.00 0.74 H new ATOM 0 HG SER A 745 -7.729 10.383 -6.160 1.00 1.20 H new ATOM 1119 N HIS A 746 -9.928 5.609 -4.604 1.00 0.81 N ATOM 1120 CA HIS A 746 -11.046 4.696 -4.423 1.00 0.91 C ATOM 1121 C HIS A 746 -11.855 5.037 -3.173 1.00 0.96 C ATOM 1122 O HIS A 746 -11.298 5.206 -2.088 1.00 1.15 O ATOM 1123 CB HIS A 746 -10.544 3.237 -4.387 1.00 1.10 C ATOM 1124 CG HIS A 746 -9.543 2.915 -3.314 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -9.877 2.338 -2.106 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -8.198 3.057 -3.296 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -8.781 2.140 -1.395 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -7.746 2.566 -2.095 1.00 3.89 N ATOM 0 H HIS A 746 -9.163 5.471 -3.943 1.00 0.81 H new ATOM 0 HA HIS A 746 -11.716 4.808 -5.275 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -11.405 2.580 -4.263 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -10.100 3.002 -5.354 1.00 1.10 H new ATOM 0 HD2 HIS A 746 -7.590 3.479 -4.082 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -8.739 1.703 -0.408 1.00 3.88 H new ATOM 0 HE2 HIS A 746 -6.772 2.536 -1.794 1.00 3.89 H new ATOM 1137 N SER A 747 -13.175 5.107 -3.347 1.00 0.93 N ATOM 1138 CA SER A 747 -14.117 5.504 -2.291 1.00 1.06 C ATOM 1139 C SER A 747 -14.104 4.512 -1.121 1.00 1.39 C ATOM 1140 O SER A 747 -14.714 4.742 -0.078 1.00 1.67 O ATOM 1141 CB SER A 747 -15.528 5.616 -2.889 1.00 1.10 C ATOM 1142 OG SER A 747 -16.458 6.155 -1.960 1.00 1.34 O ATOM 0 H SER A 747 -13.629 4.888 -4.234 1.00 0.93 H new ATOM 0 HA SER A 747 -13.809 6.472 -1.895 1.00 1.06 H new ATOM 0 HB2 SER A 747 -15.496 6.246 -3.778 1.00 1.10 H new ATOM 0 HB3 SER A 747 -15.865 4.630 -3.209 1.00 1.10 H new ATOM 0 HG SER A 747 -16.174 5.935 -1.048 1.00 1.34 H new ATOM 1148 N LEU A 748 -13.385 3.417 -1.310 1.00 1.54 N ATOM 1149 CA LEU A 748 -13.255 2.360 -0.311 1.00 1.97 C ATOM 1150 C LEU A 748 -12.432 2.802 0.908 1.00 1.72 C ATOM 1151 O LEU A 748 -11.944 1.956 1.655 1.00 2.07 O ATOM 1152 CB LEU A 748 -12.631 1.098 -0.927 1.00 2.49 C ATOM 1153 CG LEU A 748 -13.537 0.284 -1.864 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -13.807 1.032 -3.163 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -12.910 -1.072 -2.152 1.00 3.52 C ATOM 0 H LEU A 748 -12.868 3.232 -2.170 1.00 1.54 H new ATOM 0 HA LEU A 748 -14.264 2.135 0.034 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -11.740 1.392 -1.481 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -12.302 0.447 -0.117 1.00 2.49 H new ATOM 0 HG LEU A 748 -14.493 0.134 -1.363 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -14.451 0.429 -3.803 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -14.300 1.979 -2.942 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -12.864 1.224 -3.675 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -13.561 -1.640 -2.817 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -11.940 -0.930 -2.628 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -12.780 -1.618 -1.218 1.00 3.52 H new ATOM 1167 N ASP A 749 -12.228 4.112 1.082 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.430 4.608 2.206 1.00 0.97 C ATOM 1169 C ASP A 749 -12.062 4.189 3.528 1.00 0.91 C ATOM 1170 O ASP A 749 -11.361 4.015 4.524 1.00 1.13 O ATOM 1171 CB ASP A 749 -11.249 6.135 2.163 1.00 0.85 C ATOM 1172 CG ASP A 749 -12.540 6.906 2.346 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -13.021 6.986 3.492 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -13.085 7.420 1.346 1.00 1.85 O ATOM 0 H ASP A 749 -12.598 4.838 0.469 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.439 4.162 2.121 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -10.546 6.431 2.942 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -10.803 6.412 1.208 1.00 0.85 H new ATOM 1179 N THR A 750 -13.381 4.026 3.545 1.00 1.03 N ATOM 1180 CA THR A 750 -14.004 3.306 4.634 1.00 1.16 C ATOM 1181 C THR A 750 -14.803 2.135 4.074 1.00 1.58 C ATOM 1182 O THR A 750 -15.785 2.315 3.348 1.00 2.13 O ATOM 1183 CB THR A 750 -14.941 4.221 5.445 1.00 1.60 C ATOM 1184 OG1 THR A 750 -14.251 5.426 5.809 1.00 2.42 O ATOM 1185 CG2 THR A 750 -15.432 3.515 6.701 1.00 2.13 C ATOM 0 H THR A 750 -14.021 4.376 2.832 1.00 1.03 H new ATOM 0 HA THR A 750 -13.219 2.944 5.298 1.00 1.16 H new ATOM 0 HB THR A 750 -15.803 4.466 4.824 1.00 1.60 H new ATOM 0 HG1 THR A 750 -14.031 5.934 5.000 1.00 2.42 H new ATOM 0 HG21 THR A 750 -16.092 4.180 7.258 1.00 2.13 H new ATOM 0 HG22 THR A 750 -15.977 2.613 6.422 1.00 2.13 H new ATOM 0 HG23 THR A 750 -14.579 3.245 7.324 1.00 2.13 H new ATOM 1193 N VAL A 751 -14.351 0.941 4.410 1.00 1.82 N ATOM 1194 CA VAL A 751 -15.012 -0.295 4.043 1.00 2.44 C ATOM 1195 C VAL A 751 -14.575 -1.373 5.037 1.00 2.14 C ATOM 1196 O VAL A 751 -13.808 -1.060 5.948 1.00 2.27 O ATOM 1197 CB VAL A 751 -14.705 -0.695 2.576 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -13.271 -1.153 2.423 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -15.677 -1.752 2.072 1.00 4.17 C ATOM 0 H VAL A 751 -13.500 0.802 4.955 1.00 1.82 H new ATOM 0 HA VAL A 751 -16.094 -0.169 4.092 1.00 2.44 H new ATOM 0 HB VAL A 751 -14.839 0.194 1.959 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -13.085 -1.427 1.384 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -12.598 -0.345 2.711 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -13.095 -2.017 3.063 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -15.433 -2.009 1.041 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -15.601 -2.643 2.696 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -16.694 -1.362 2.118 1.00 4.17 H new ATOM 1209 N SER A 752 -15.086 -2.596 4.911 1.00 2.23 N ATOM 1210 CA SER A 752 -14.546 -3.731 5.660 1.00 2.12 C ATOM 1211 C SER A 752 -13.006 -3.706 5.630 1.00 2.30 C ATOM 1212 O SER A 752 -12.396 -3.915 4.581 1.00 2.26 O ATOM 1213 CB SER A 752 -15.074 -5.029 5.050 1.00 2.47 C ATOM 1214 OG SER A 752 -14.905 -5.023 3.640 1.00 2.95 O ATOM 0 H SER A 752 -15.870 -2.827 4.300 1.00 2.23 H new ATOM 0 HA SER A 752 -14.865 -3.667 6.700 1.00 2.12 H new ATOM 0 HB2 SER A 752 -14.548 -5.880 5.481 1.00 2.47 H new ATOM 0 HB3 SER A 752 -16.129 -5.149 5.295 1.00 2.47 H new ATOM 0 HG SER A 752 -14.000 -4.718 3.420 1.00 2.95 H new ATOM 1220 N PRO A 753 -12.377 -3.464 6.797 1.00 2.99 N ATOM 1221 CA PRO A 753 -10.949 -3.082 6.908 1.00 3.72 C ATOM 1222 C PRO A 753 -9.938 -4.122 6.408 1.00 3.48 C ATOM 1223 O PRO A 753 -8.757 -3.812 6.274 1.00 3.96 O ATOM 1224 CB PRO A 753 -10.756 -2.850 8.412 1.00 4.69 C ATOM 1225 CG PRO A 753 -12.128 -2.669 8.957 1.00 4.49 C ATOM 1226 CD PRO A 753 -13.015 -3.533 8.117 1.00 3.44 C ATOM 0 HA PRO A 753 -10.753 -2.220 6.271 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -10.255 -3.697 8.880 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -10.139 -1.971 8.599 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -12.175 -2.963 10.006 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -12.435 -1.625 8.905 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -13.058 -4.555 8.493 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -14.039 -3.159 8.092 1.00 3.44 H new ATOM 1234 N SER A 754 -10.376 -5.343 6.143 1.00 2.99 N ATOM 1235 CA SER A 754 -9.463 -6.378 5.656 1.00 3.13 C ATOM 1236 C SER A 754 -9.242 -6.252 4.146 1.00 2.22 C ATOM 1237 O SER A 754 -8.575 -7.082 3.521 1.00 2.49 O ATOM 1238 CB SER A 754 -9.995 -7.767 6.015 1.00 3.71 C ATOM 1239 OG SER A 754 -10.079 -7.929 7.424 1.00 4.37 O ATOM 0 H SER A 754 -11.344 -5.644 6.253 1.00 2.99 H new ATOM 0 HA SER A 754 -8.498 -6.240 6.144 1.00 3.13 H new ATOM 0 HB2 SER A 754 -10.979 -7.910 5.569 1.00 3.71 H new ATOM 0 HB3 SER A 754 -9.341 -8.531 5.595 1.00 3.71 H new ATOM 0 HG SER A 754 -10.423 -8.823 7.631 1.00 4.37 H new ATOM 1245 N ASP A 755 -9.818 -5.203 3.584 1.00 1.48 N ATOM 1246 CA ASP A 755 -9.699 -4.865 2.175 1.00 0.96 C ATOM 1247 C ASP A 755 -8.275 -4.417 1.821 1.00 1.01 C ATOM 1248 O ASP A 755 -7.380 -4.435 2.661 1.00 1.88 O ATOM 1249 CB ASP A 755 -10.727 -3.819 1.750 1.00 1.69 C ATOM 1250 CG ASP A 755 -10.327 -2.417 2.124 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -9.978 -1.634 1.223 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -10.342 -2.095 3.333 1.00 2.95 O ATOM 0 H ASP A 755 -10.396 -4.546 4.108 1.00 1.48 H new ATOM 0 HA ASP A 755 -9.910 -5.775 1.613 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -10.869 -3.875 0.671 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -11.687 -4.052 2.211 1.00 1.69 H new ATOM 1257 N THR A 756 -8.110 -4.021 0.561 1.00 0.93 N ATOM 1258 CA THR A 756 -6.838 -3.989 -0.169 1.00 0.99 C ATOM 1259 C THR A 756 -5.540 -3.851 0.623 1.00 0.78 C ATOM 1260 O THR A 756 -5.338 -2.969 1.459 1.00 0.89 O ATOM 1261 CB THR A 756 -6.845 -2.885 -1.242 1.00 1.43 C ATOM 1262 OG1 THR A 756 -5.505 -2.580 -1.626 1.00 1.93 O ATOM 1263 CG2 THR A 756 -7.526 -1.619 -0.744 1.00 2.05 C ATOM 0 H THR A 756 -8.893 -3.698 -0.008 1.00 0.93 H new ATOM 0 HA THR A 756 -6.810 -4.998 -0.579 1.00 0.99 H new ATOM 0 HB THR A 756 -7.407 -3.258 -2.098 1.00 1.43 H new ATOM 0 HG1 THR A 756 -5.318 -1.636 -1.440 1.00 1.93 H new ATOM 0 HG21 THR A 756 -7.510 -0.864 -1.530 1.00 2.05 H new ATOM 0 HG22 THR A 756 -8.559 -1.843 -0.476 1.00 2.05 H new ATOM 0 HG23 THR A 756 -6.998 -1.242 0.132 1.00 2.05 H new ATOM 1271 N LEU A 757 -4.655 -4.782 0.265 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.270 -4.808 0.636 1.00 0.58 C ATOM 1273 C LEU A 757 -2.433 -4.584 -0.598 1.00 0.44 C ATOM 1274 O LEU A 757 -2.854 -4.915 -1.702 1.00 0.46 O ATOM 1275 CB LEU A 757 -3.006 -6.174 1.260 1.00 0.70 C ATOM 1276 CG LEU A 757 -1.575 -6.661 1.246 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -1.351 -7.575 2.415 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -1.295 -7.403 -0.052 1.00 1.66 C ATOM 0 H LEU A 757 -4.915 -5.574 -0.323 1.00 0.68 H new ATOM 0 HA LEU A 757 -3.015 -4.026 1.352 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -3.346 -6.147 2.295 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -3.621 -6.910 0.742 1.00 0.70 H new ATOM 0 HG LEU A 757 -0.900 -5.808 1.318 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -0.320 -7.928 2.408 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -1.543 -7.034 3.342 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -2.027 -8.427 2.345 1.00 1.53 H new ATOM 0 HD21 LEU A 757 -0.262 -7.752 -0.056 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -1.967 -8.257 -0.135 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -1.455 -6.732 -0.896 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.261 -4.015 -0.409 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.360 -3.799 -1.474 1.00 0.40 C ATOM 1292 C LEU A 758 0.844 -4.671 -1.306 1.00 0.35 C ATOM 1293 O LEU A 758 1.386 -4.849 -0.200 1.00 0.40 O ATOM 1294 CB LEU A 758 -0.045 -2.282 -1.614 1.00 0.54 C ATOM 1295 CG LEU A 758 1.417 -1.851 -1.868 1.00 0.60 C ATOM 1296 CD1 LEU A 758 1.995 -2.595 -3.031 1.00 1.19 C ATOM 1297 CD2 LEU A 758 1.503 -0.364 -2.157 1.00 1.13 C ATOM 0 H LEU A 758 -0.924 -3.695 0.499 1.00 0.39 H new ATOM 0 HA LEU A 758 -0.811 -4.091 -2.423 1.00 0.40 H new ATOM 0 HB2 LEU A 758 -0.652 -1.892 -2.431 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -0.382 -1.788 -0.703 1.00 0.54 H new ATOM 0 HG LEU A 758 1.983 -2.080 -0.965 1.00 0.60 H new ATOM 0 HD11 LEU A 758 3.025 -2.276 -3.192 1.00 1.19 H new ATOM 0 HD12 LEU A 758 1.975 -3.665 -2.825 1.00 1.19 H new ATOM 0 HD13 LEU A 758 1.407 -2.387 -3.925 1.00 1.19 H new ATOM 0 HD21 LEU A 758 2.543 -0.087 -2.332 1.00 1.13 H new ATOM 0 HD22 LEU A 758 0.911 -0.131 -3.042 1.00 1.13 H new ATOM 0 HD23 LEU A 758 1.117 0.195 -1.305 1.00 1.13 H new ATOM 1309 N CYS A 759 1.178 -5.315 -2.411 1.00 0.35 N ATOM 1310 CA CYS A 759 2.438 -6.017 -2.484 1.00 0.36 C ATOM 1311 C CYS A 759 3.150 -5.685 -3.796 1.00 0.36 C ATOM 1312 O CYS A 759 2.861 -6.267 -4.836 1.00 0.40 O ATOM 1313 CB CYS A 759 2.197 -7.521 -2.328 1.00 0.46 C ATOM 1314 SG CYS A 759 1.007 -8.230 -3.486 1.00 1.55 S ATOM 0 H CYS A 759 0.604 -5.364 -3.253 1.00 0.35 H new ATOM 0 HA CYS A 759 3.088 -5.695 -1.671 1.00 0.36 H new ATOM 0 HB2 CYS A 759 3.148 -8.040 -2.446 1.00 0.46 H new ATOM 0 HB3 CYS A 759 1.852 -7.715 -1.312 1.00 0.46 H new ATOM 0 HG CYS A 759 0.888 -9.505 -3.260 1.00 1.55 H new ATOM 1320 N PHE A 760 4.087 -4.753 -3.751 1.00 0.36 N ATOM 1321 CA PHE A 760 4.863 -4.418 -4.929 1.00 0.41 C ATOM 1322 C PHE A 760 6.331 -4.222 -4.608 1.00 0.36 C ATOM 1323 O PHE A 760 6.707 -4.053 -3.449 1.00 0.50 O ATOM 1324 CB PHE A 760 4.296 -3.225 -5.674 1.00 0.68 C ATOM 1325 CG PHE A 760 4.268 -3.469 -7.154 1.00 1.79 C ATOM 1326 CD1 PHE A 760 3.342 -4.345 -7.695 1.00 2.53 C ATOM 1327 CD2 PHE A 760 5.177 -2.854 -7.996 1.00 2.16 C ATOM 1328 CE1 PHE A 760 3.322 -4.602 -9.051 1.00 3.60 C ATOM 1329 CE2 PHE A 760 5.159 -3.104 -9.355 1.00 3.23 C ATOM 1330 CZ PHE A 760 4.232 -3.980 -9.883 1.00 3.94 C ATOM 0 H PHE A 760 4.327 -4.219 -2.916 1.00 0.36 H new ATOM 0 HA PHE A 760 4.788 -5.276 -5.597 1.00 0.41 H new ATOM 0 HB2 PHE A 760 3.287 -3.018 -5.318 1.00 0.68 H new ATOM 0 HB3 PHE A 760 4.897 -2.341 -5.460 1.00 0.68 H new ATOM 0 HD1 PHE A 760 2.627 -4.833 -7.049 1.00 2.53 H new ATOM 0 HD2 PHE A 760 5.908 -2.172 -7.587 1.00 2.16 H new ATOM 0 HE1 PHE A 760 2.596 -5.288 -9.461 1.00 3.60 H new ATOM 0 HE2 PHE A 760 5.870 -2.614 -10.004 1.00 3.23 H new ATOM 0 HZ PHE A 760 4.218 -4.179 -10.945 1.00 3.94 H new ATOM 1340 N GLU A 761 7.146 -4.390 -5.626 1.00 0.35 N ATOM 1341 CA GLU A 761 8.576 -4.146 -5.531 1.00 0.40 C ATOM 1342 C GLU A 761 9.048 -3.178 -6.618 1.00 0.61 C ATOM 1343 O GLU A 761 8.791 -3.409 -7.801 1.00 0.79 O ATOM 1344 CB GLU A 761 9.378 -5.450 -5.585 1.00 0.52 C ATOM 1345 CG GLU A 761 9.164 -6.283 -6.836 1.00 1.26 C ATOM 1346 CD GLU A 761 10.186 -7.394 -6.960 1.00 1.49 C ATOM 1347 OE1 GLU A 761 10.127 -8.354 -6.165 1.00 1.96 O ATOM 1348 OE2 GLU A 761 11.037 -7.330 -7.868 1.00 1.88 O ATOM 0 H GLU A 761 6.839 -4.701 -6.548 1.00 0.35 H new ATOM 0 HA GLU A 761 8.757 -3.684 -4.561 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.438 -5.211 -5.503 1.00 0.52 H new ATOM 0 HB3 GLU A 761 9.119 -6.054 -4.716 1.00 0.52 H new ATOM 0 HG2 GLU A 761 8.162 -6.712 -6.819 1.00 1.26 H new ATOM 0 HG3 GLU A 761 9.220 -5.639 -7.714 1.00 1.26 H new ATOM 1355 N LEU A 762 9.707 -2.097 -6.242 1.00 0.89 N ATOM 1356 CA LEU A 762 10.488 -1.327 -7.209 1.00 1.28 C ATOM 1357 C LEU A 762 11.876 -1.074 -6.662 1.00 0.79 C ATOM 1358 O LEU A 762 12.099 -1.181 -5.463 1.00 0.89 O ATOM 1359 CB LEU A 762 9.827 0.009 -7.545 1.00 2.07 C ATOM 1360 CG LEU A 762 8.880 -0.020 -8.750 1.00 3.10 C ATOM 1361 CD1 LEU A 762 7.464 -0.367 -8.331 1.00 3.72 C ATOM 1362 CD2 LEU A 762 8.919 1.306 -9.496 1.00 3.94 C ATOM 0 H LEU A 762 9.722 -1.732 -5.290 1.00 0.89 H new ATOM 0 HA LEU A 762 10.544 -1.915 -8.125 1.00 1.28 H new ATOM 0 HB2 LEU A 762 9.270 0.351 -6.673 1.00 2.07 H new ATOM 0 HB3 LEU A 762 10.608 0.746 -7.734 1.00 2.07 H new ATOM 0 HG LEU A 762 9.223 -0.802 -9.427 1.00 3.10 H new ATOM 0 HD11 LEU A 762 6.818 -0.379 -9.209 1.00 3.72 H new ATOM 0 HD12 LEU A 762 7.455 -1.350 -7.860 1.00 3.72 H new ATOM 0 HD13 LEU A 762 7.101 0.378 -7.623 1.00 3.72 H new ATOM 0 HD21 LEU A 762 8.240 1.264 -10.348 1.00 3.94 H new ATOM 0 HD22 LEU A 762 8.612 2.109 -8.826 1.00 3.94 H new ATOM 0 HD23 LEU A 762 9.933 1.495 -9.849 1.00 3.94 H new ATOM 1374 N LEU A 763 12.825 -0.759 -7.522 1.00 1.06 N ATOM 1375 CA LEU A 763 14.128 -0.381 -7.040 1.00 0.98 C ATOM 1376 C LEU A 763 14.242 1.124 -7.098 1.00 0.79 C ATOM 1377 O LEU A 763 14.215 1.717 -8.178 1.00 1.44 O ATOM 1378 CB LEU A 763 15.244 -1.036 -7.868 1.00 1.81 C ATOM 1379 CG LEU A 763 15.432 -2.548 -7.674 1.00 2.42 C ATOM 1380 CD1 LEU A 763 14.299 -3.340 -8.315 1.00 2.97 C ATOM 1381 CD2 LEU A 763 16.773 -2.991 -8.238 1.00 3.32 C ATOM 0 H LEU A 763 12.718 -0.758 -8.536 1.00 1.06 H new ATOM 0 HA LEU A 763 14.244 -0.727 -6.013 1.00 0.98 H new ATOM 0 HB2 LEU A 763 15.044 -0.848 -8.923 1.00 1.81 H new ATOM 0 HB3 LEU A 763 16.185 -0.540 -7.629 1.00 1.81 H new ATOM 0 HG LEU A 763 15.414 -2.750 -6.603 1.00 2.42 H new ATOM 0 HD11 LEU A 763 14.466 -4.406 -8.158 1.00 2.97 H new ATOM 0 HD12 LEU A 763 13.351 -3.050 -7.862 1.00 2.97 H new ATOM 0 HD13 LEU A 763 14.269 -3.131 -9.384 1.00 2.97 H new ATOM 0 HD21 LEU A 763 16.892 -4.065 -8.093 1.00 3.32 H new ATOM 0 HD22 LEU A 763 16.813 -2.762 -9.303 1.00 3.32 H new ATOM 0 HD23 LEU A 763 17.576 -2.464 -7.723 1.00 3.32 H new ATOM 1393 N SER A 764 14.381 1.725 -5.930 1.00 0.58 N ATOM 1394 CA SER A 764 14.537 3.158 -5.789 1.00 0.61 C ATOM 1395 C SER A 764 14.959 3.463 -4.357 1.00 0.71 C ATOM 1396 O SER A 764 14.959 2.563 -3.514 1.00 1.17 O ATOM 1397 CB SER A 764 13.223 3.890 -6.100 1.00 1.02 C ATOM 1398 OG SER A 764 12.855 3.766 -7.460 1.00 1.67 O ATOM 0 H SER A 764 14.389 1.223 -5.042 1.00 0.58 H new ATOM 0 HA SER A 764 15.293 3.503 -6.494 1.00 0.61 H new ATOM 0 HB2 SER A 764 12.428 3.489 -5.472 1.00 1.02 H new ATOM 0 HB3 SER A 764 13.328 4.945 -5.848 1.00 1.02 H new ATOM 0 HG SER A 764 13.551 3.275 -7.944 1.00 1.67 H new ATOM 1404 N SER A 765 15.291 4.715 -4.081 1.00 0.99 N ATOM 1405 CA SER A 765 15.609 5.144 -2.728 1.00 1.18 C ATOM 1406 C SER A 765 15.640 6.665 -2.675 1.00 1.13 C ATOM 1407 O SER A 765 15.671 7.323 -3.717 1.00 1.21 O ATOM 1408 CB SER A 765 16.959 4.562 -2.282 1.00 1.51 C ATOM 1409 OG SER A 765 17.203 4.807 -0.907 1.00 2.10 O ATOM 0 H SER A 765 15.347 5.455 -4.780 1.00 0.99 H new ATOM 0 HA SER A 765 14.842 4.777 -2.046 1.00 1.18 H new ATOM 0 HB2 SER A 765 16.973 3.488 -2.469 1.00 1.51 H new ATOM 0 HB3 SER A 765 17.760 5.000 -2.878 1.00 1.51 H new ATOM 0 HG SER A 765 18.069 4.423 -0.655 1.00 2.10 H new ATOM 1415 N GLU A 766 15.585 7.225 -1.476 1.00 1.43 N ATOM 1416 CA GLU A 766 15.717 8.663 -1.308 1.00 1.74 C ATOM 1417 C GLU A 766 17.172 9.074 -1.520 1.00 2.11 C ATOM 1418 O GLU A 766 17.977 8.925 -0.578 1.00 2.79 O ATOM 1419 CB GLU A 766 15.242 9.090 0.083 1.00 2.48 C ATOM 1420 CG GLU A 766 15.337 10.588 0.322 1.00 3.22 C ATOM 1421 CD GLU A 766 14.968 10.974 1.736 1.00 4.06 C ATOM 1422 OE1 GLU A 766 13.859 11.506 1.945 1.00 4.70 O ATOM 1423 OE2 GLU A 766 15.784 10.741 2.651 1.00 4.47 O ATOM 1424 OXT GLU A 766 17.507 9.520 -2.634 1.00 2.51 O ATOM 0 H GLU A 766 15.450 6.707 -0.608 1.00 1.43 H new ATOM 0 HA GLU A 766 15.092 9.162 -2.049 1.00 1.74 H new ATOM 0 HB2 GLU A 766 14.208 8.773 0.218 1.00 2.48 H new ATOM 0 HB3 GLU A 766 15.835 8.571 0.836 1.00 2.48 H new ATOM 0 HG2 GLU A 766 16.353 10.922 0.111 1.00 3.22 H new ATOM 0 HG3 GLU A 766 14.679 11.106 -0.376 1.00 3.22 H new