USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=24 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 Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 GLN : amide:sc= 0.0704 K(o=0.07,f=-3.9!) USER MOD Single : A 681 LYS NZ :NH3+ 138:sc= 0.561 (180deg=-1.86!) USER MOD Single : A 687 TYR OH : rot 15:sc= 0.987 USER MOD Single : A 693 HIS : no HD1:sc= -0.0833 X(o=-0.083,f=-0.25) USER MOD Single : A 694 SER OG : rot 180:sc= 0 USER MOD Single : A 695 LYS NZ :NH3+ 165:sc= -0.0275 (180deg=-0.255) USER MOD Single : A 698 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 SER OG : rot 48:sc= 0.562 USER MOD Single : A 704 SER OG : rot -140:sc= -4.87! USER MOD Single : A 705 LYS NZ :NH3+ -147:sc= 1.28 (180deg=0.0568) USER MOD Single : A 707 ASN : amide:sc= 1.19 K(o=1.2,f=-0.13) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 709 THR OG1 : rot 170:sc= 0.619 USER MOD Single : A 711 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 70:sc= 0.132 USER MOD Single : A 718 SER OG : rot -74:sc= -1.96! USER MOD Single : A 719 GLN : amide:sc= -0.952 K(o=-0.95,f=0) USER MOD Single : A 720 SER OG : rot 86:sc= 1.25 USER MOD Single : A 722 HIS : no HE2:sc= 0.0201 X(o=0.02,f=-0.14) USER MOD Single : A 724 LYS NZ :NH3+ 146:sc= 1.29 (180deg=1.04) USER MOD Single : A 727 ASN : amide:sc= -6.06! C(o=-6.1!,f=-6.9!) USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 ASN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 739 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.035) USER MOD Single : A 745 SER OG : rot 44:sc= 0.067 USER MOD Single : A 746 HIS : no HD1:sc= -0.587 K(o=-0.59,f=0.012) USER MOD Single : A 747 SER OG : rot 180:sc= 0.038 USER MOD Single : A 750 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 752 SER OG : rot -145:sc= 0.498 USER MOD Single : A 754 SER OG : rot 180:sc= 0 USER MOD Single : A 756 THR OG1 : rot 173:sc= -5.17! USER MOD Single : A 759 CYS SG : rot 180:sc= -3.98! USER MOD Single : A 764 SER OG : rot 4:sc= 1.13 USER MOD Single : A 765 SER OG : rot 180:sc= -0.0191 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -10.718 8.487 6.711 1.00 0.86 N ATOM 2 CA LYS A 679 -9.242 8.623 6.690 1.00 0.72 C ATOM 3 C LYS A 679 -8.574 7.461 7.433 1.00 0.66 C ATOM 4 O LYS A 679 -7.364 7.250 7.313 1.00 1.02 O ATOM 5 CB LYS A 679 -8.831 9.967 7.309 1.00 0.92 C ATOM 6 CG LYS A 679 -7.326 10.205 7.357 1.00 0.97 C ATOM 7 CD LYS A 679 -6.698 10.194 5.971 1.00 1.12 C ATOM 8 CE LYS A 679 -5.180 10.277 6.051 1.00 1.43 C ATOM 9 NZ LYS A 679 -4.701 11.598 6.542 1.00 2.26 N ATOM 0 HA LYS A 679 -8.906 8.594 5.653 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -9.296 10.772 6.740 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -9.228 10.023 8.323 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -7.127 11.163 7.837 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -6.858 9.437 7.972 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -6.987 9.284 5.445 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -7.080 11.033 5.390 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -4.812 9.493 6.713 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -4.757 10.086 5.065 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -3.662 11.599 6.577 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -5.027 12.347 5.898 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -5.079 11.772 7.495 1.00 2.26 H new ATOM 25 N GLN A 680 -9.357 6.684 8.178 1.00 0.54 N ATOM 26 CA GLN A 680 -8.793 5.582 8.946 1.00 0.71 C ATOM 27 C GLN A 680 -9.239 4.207 8.435 1.00 0.50 C ATOM 28 O GLN A 680 -10.417 3.851 8.473 1.00 0.78 O ATOM 29 CB GLN A 680 -9.115 5.721 10.444 1.00 1.24 C ATOM 30 CG GLN A 680 -10.602 5.736 10.796 1.00 1.84 C ATOM 31 CD GLN A 680 -11.306 7.010 10.369 1.00 2.28 C ATOM 32 OE1 GLN A 680 -11.838 7.103 9.261 1.00 2.61 O ATOM 33 NE2 GLN A 680 -11.299 8.007 11.236 1.00 2.98 N ATOM 0 H GLN A 680 -10.367 6.795 8.265 1.00 0.54 H new ATOM 0 HA GLN A 680 -7.713 5.643 8.808 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -8.641 4.898 10.978 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -8.663 6.642 10.812 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -11.089 4.884 10.323 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -10.715 5.610 11.873 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -10.848 7.891 12.143 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -11.745 8.893 10.998 1.00 2.98 H new ATOM 42 N LYS A 681 -8.267 3.458 7.936 1.00 0.53 N ATOM 43 CA LYS A 681 -8.414 2.033 7.666 1.00 0.44 C ATOM 44 C LYS A 681 -7.023 1.399 7.726 1.00 0.37 C ATOM 45 O LYS A 681 -6.167 1.684 6.891 1.00 0.55 O ATOM 46 CB LYS A 681 -9.104 1.776 6.307 1.00 0.63 C ATOM 47 CG LYS A 681 -8.476 2.519 5.134 1.00 0.67 C ATOM 48 CD LYS A 681 -9.159 2.268 3.801 1.00 0.70 C ATOM 49 CE LYS A 681 -9.073 0.818 3.336 1.00 0.87 C ATOM 50 NZ LYS A 681 -10.042 -0.060 4.045 1.00 1.44 N ATOM 0 H LYS A 681 -7.344 3.825 7.704 1.00 0.53 H new ATOM 0 HA LYS A 681 -9.060 1.578 8.417 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -9.082 0.706 6.098 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -10.152 2.064 6.385 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -8.495 3.588 5.344 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -7.429 2.229 5.053 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -10.208 2.554 3.880 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -8.709 2.911 3.045 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -9.261 0.771 2.263 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -8.062 0.446 3.499 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -10.478 -0.716 3.366 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -9.545 -0.603 4.780 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -10.781 0.524 4.486 1.00 1.44 H new ATOM 64 N VAL A 682 -6.782 0.575 8.738 1.00 0.33 N ATOM 65 CA VAL A 682 -5.429 0.098 9.010 1.00 0.35 C ATOM 66 C VAL A 682 -5.119 -1.211 8.288 1.00 0.37 C ATOM 67 O VAL A 682 -5.621 -2.279 8.638 1.00 0.46 O ATOM 68 CB VAL A 682 -5.205 -0.049 10.535 1.00 0.49 C ATOM 69 CG1 VAL A 682 -6.397 -0.718 11.193 1.00 1.36 C ATOM 70 CG2 VAL A 682 -3.938 -0.823 10.833 1.00 1.32 C ATOM 0 H VAL A 682 -7.495 0.226 9.378 1.00 0.33 H new ATOM 0 HA VAL A 682 -4.738 0.845 8.621 1.00 0.35 H new ATOM 0 HB VAL A 682 -5.095 0.953 10.949 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -6.217 -0.811 12.264 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -7.290 -0.116 11.026 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -6.542 -1.709 10.762 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -3.809 -0.909 11.912 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -4.009 -1.819 10.396 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -3.083 -0.299 10.406 1.00 1.32 H new ATOM 80 N LEU A 683 -4.307 -1.091 7.249 1.00 0.34 N ATOM 81 CA LEU A 683 -3.868 -2.232 6.461 1.00 0.39 C ATOM 82 C LEU A 683 -2.352 -2.414 6.523 1.00 0.38 C ATOM 83 O LEU A 683 -1.608 -1.490 6.190 1.00 0.38 O ATOM 84 CB LEU A 683 -4.327 -2.054 5.017 1.00 0.47 C ATOM 85 CG LEU A 683 -5.834 -1.855 4.861 1.00 0.82 C ATOM 86 CD1 LEU A 683 -6.180 -1.491 3.427 1.00 1.44 C ATOM 87 CD2 LEU A 683 -6.577 -3.108 5.286 1.00 1.55 C ATOM 0 H LEU A 683 -3.933 -0.198 6.928 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.316 -3.133 6.880 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.812 -1.195 4.587 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -4.025 -2.929 4.441 1.00 0.47 H new ATOM 0 HG LEU A 683 -6.143 -1.032 5.506 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -7.257 -1.354 3.336 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -5.672 -0.566 3.154 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -5.859 -2.292 2.761 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -7.650 -2.952 5.170 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -6.263 -3.946 4.664 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.353 -3.327 6.330 1.00 1.55 H new ATOM 99 N PRO A 684 -1.850 -3.575 6.963 1.00 0.41 N ATOM 100 CA PRO A 684 -0.444 -3.904 6.767 1.00 0.40 C ATOM 101 C PRO A 684 -0.199 -4.417 5.346 1.00 0.38 C ATOM 102 O PRO A 684 -0.940 -5.266 4.860 1.00 0.43 O ATOM 103 CB PRO A 684 -0.185 -5.022 7.791 1.00 0.48 C ATOM 104 CG PRO A 684 -1.482 -5.252 8.513 1.00 0.65 C ATOM 105 CD PRO A 684 -2.568 -4.621 7.686 1.00 0.48 C ATOM 0 HA PRO A 684 0.211 -3.043 6.899 1.00 0.40 H new ATOM 0 HB2 PRO A 684 0.148 -5.933 7.294 1.00 0.48 H new ATOM 0 HB3 PRO A 684 0.601 -4.734 8.489 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -1.667 -6.318 8.642 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -1.451 -4.811 9.509 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -3.030 -5.339 7.008 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.364 -4.211 8.307 1.00 0.48 H new ATOM 113 N VAL A 685 0.827 -3.901 4.684 1.00 0.34 N ATOM 114 CA VAL A 685 1.216 -4.401 3.353 1.00 0.33 C ATOM 115 C VAL A 685 2.535 -5.170 3.403 1.00 0.30 C ATOM 116 O VAL A 685 3.388 -4.851 4.225 1.00 0.33 O ATOM 117 CB VAL A 685 1.331 -3.265 2.323 1.00 0.39 C ATOM 118 CG1 VAL A 685 0.093 -2.386 2.379 1.00 0.45 C ATOM 119 CG2 VAL A 685 2.602 -2.458 2.538 1.00 0.60 C ATOM 0 H VAL A 685 1.408 -3.140 5.036 1.00 0.34 H new ATOM 0 HA VAL A 685 0.421 -5.078 3.040 1.00 0.33 H new ATOM 0 HB VAL A 685 1.394 -3.701 1.326 1.00 0.39 H new ATOM 0 HG11 VAL A 685 0.183 -1.584 1.646 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -0.789 -2.985 2.155 1.00 0.45 H new ATOM 0 HG13 VAL A 685 -0.004 -1.957 3.376 1.00 0.45 H new ATOM 0 HG21 VAL A 685 2.657 -1.662 1.796 1.00 0.60 H new ATOM 0 HG22 VAL A 685 2.592 -2.023 3.537 1.00 0.60 H new ATOM 0 HG23 VAL A 685 3.469 -3.111 2.435 1.00 0.60 H new ATOM 129 N PHE A 686 2.727 -6.144 2.508 1.00 0.33 N ATOM 130 CA PHE A 686 4.001 -6.865 2.441 1.00 0.37 C ATOM 131 C PHE A 686 4.711 -6.546 1.139 1.00 0.44 C ATOM 132 O PHE A 686 4.128 -6.586 0.065 1.00 0.70 O ATOM 133 CB PHE A 686 3.843 -8.386 2.598 1.00 0.62 C ATOM 134 CG PHE A 686 3.298 -9.114 1.397 1.00 0.92 C ATOM 135 CD1 PHE A 686 2.020 -8.873 0.932 1.00 1.55 C ATOM 136 CD2 PHE A 686 4.075 -10.062 0.747 1.00 1.65 C ATOM 137 CE1 PHE A 686 1.521 -9.557 -0.160 1.00 2.32 C ATOM 138 CE2 PHE A 686 3.583 -10.749 -0.347 1.00 2.43 C ATOM 139 CZ PHE A 686 2.305 -10.497 -0.800 1.00 2.65 C ATOM 0 H PHE A 686 2.028 -6.448 1.830 1.00 0.33 H new ATOM 0 HA PHE A 686 4.600 -6.524 3.285 1.00 0.37 H new ATOM 0 HB2 PHE A 686 4.816 -8.810 2.846 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.186 -8.579 3.446 1.00 0.62 H new ATOM 0 HD1 PHE A 686 1.402 -8.140 1.429 1.00 1.55 H new ATOM 0 HD2 PHE A 686 5.075 -10.265 1.100 1.00 1.65 H new ATOM 0 HE1 PHE A 686 0.520 -9.357 -0.512 1.00 2.32 H new ATOM 0 HE2 PHE A 686 4.199 -11.482 -0.846 1.00 2.43 H new ATOM 0 HZ PHE A 686 1.918 -11.034 -1.654 1.00 2.65 H new ATOM 149 N TYR A 687 5.963 -6.202 1.257 1.00 0.46 N ATOM 150 CA TYR A 687 6.754 -5.754 0.139 1.00 0.69 C ATOM 151 C TYR A 687 8.040 -6.544 -0.003 1.00 0.50 C ATOM 152 O TYR A 687 8.692 -6.885 0.987 1.00 0.64 O ATOM 153 CB TYR A 687 7.006 -4.273 0.351 1.00 1.33 C ATOM 154 CG TYR A 687 8.337 -3.703 -0.125 1.00 2.53 C ATOM 155 CD1 TYR A 687 9.204 -3.109 0.781 1.00 3.44 C ATOM 156 CD2 TYR A 687 8.697 -3.694 -1.465 1.00 3.03 C ATOM 157 CE1 TYR A 687 10.382 -2.521 0.367 1.00 4.64 C ATOM 158 CE2 TYR A 687 9.879 -3.118 -1.886 1.00 4.21 C ATOM 159 CZ TYR A 687 10.715 -2.529 -0.968 1.00 4.97 C ATOM 160 OH TYR A 687 11.887 -1.942 -1.386 1.00 6.20 O ATOM 0 H TYR A 687 6.471 -6.224 2.141 1.00 0.46 H new ATOM 0 HA TYR A 687 6.223 -5.918 -0.799 1.00 0.69 H new ATOM 0 HB2 TYR A 687 6.208 -3.723 -0.148 1.00 1.33 H new ATOM 0 HB3 TYR A 687 6.916 -4.067 1.418 1.00 1.33 H new ATOM 0 HD1 TYR A 687 8.952 -3.107 1.831 1.00 3.44 H new ATOM 0 HD2 TYR A 687 8.040 -4.146 -2.193 1.00 3.03 H new ATOM 0 HE1 TYR A 687 11.039 -2.057 1.087 1.00 4.64 H new ATOM 0 HE2 TYR A 687 10.146 -3.130 -2.933 1.00 4.21 H new ATOM 0 HH TYR A 687 12.468 -1.784 -0.613 1.00 6.20 H new ATOM 170 N PHE A 688 8.406 -6.835 -1.243 1.00 0.57 N ATOM 171 CA PHE A 688 9.660 -7.524 -1.499 1.00 0.60 C ATOM 172 C PHE A 688 10.722 -6.466 -1.656 1.00 0.63 C ATOM 173 O PHE A 688 10.782 -5.763 -2.662 1.00 0.69 O ATOM 174 CB PHE A 688 9.569 -8.388 -2.759 1.00 0.81 C ATOM 175 CG PHE A 688 8.530 -9.470 -2.679 1.00 1.20 C ATOM 176 CD1 PHE A 688 7.259 -9.270 -3.191 1.00 1.75 C ATOM 177 CD2 PHE A 688 8.828 -10.692 -2.096 1.00 1.41 C ATOM 178 CE1 PHE A 688 6.304 -10.266 -3.123 1.00 2.40 C ATOM 179 CE2 PHE A 688 7.877 -11.691 -2.025 1.00 2.00 C ATOM 180 CZ PHE A 688 6.614 -11.479 -2.538 1.00 2.48 C ATOM 0 H PHE A 688 7.861 -6.609 -2.075 1.00 0.57 H new ATOM 0 HA PHE A 688 9.899 -8.195 -0.674 1.00 0.60 H new ATOM 0 HB2 PHE A 688 9.348 -7.747 -3.612 1.00 0.81 H new ATOM 0 HB3 PHE A 688 10.541 -8.844 -2.947 1.00 0.81 H new ATOM 0 HD1 PHE A 688 7.011 -8.324 -3.649 1.00 1.75 H new ATOM 0 HD2 PHE A 688 9.815 -10.865 -1.693 1.00 1.41 H new ATOM 0 HE1 PHE A 688 5.317 -10.097 -3.526 1.00 2.40 H new ATOM 0 HE2 PHE A 688 8.122 -12.638 -1.568 1.00 2.00 H new ATOM 0 HZ PHE A 688 5.869 -12.259 -2.483 1.00 2.48 H new ATOM 190 N ALA A 689 11.584 -6.395 -0.662 1.00 0.73 N ATOM 191 CA ALA A 689 12.328 -5.185 -0.403 1.00 0.85 C ATOM 192 C ALA A 689 13.599 -5.077 -1.202 1.00 0.81 C ATOM 193 O ALA A 689 14.385 -6.022 -1.283 1.00 0.80 O ATOM 194 CB ALA A 689 12.638 -5.066 1.076 1.00 1.07 C ATOM 0 H ALA A 689 11.785 -7.163 -0.021 1.00 0.73 H new ATOM 0 HA ALA A 689 11.689 -4.361 -0.721 1.00 0.85 H new ATOM 0 HB1 ALA A 689 13.199 -4.149 1.258 1.00 1.07 H new ATOM 0 HB2 ALA A 689 11.707 -5.039 1.642 1.00 1.07 H new ATOM 0 HB3 ALA A 689 13.231 -5.924 1.394 1.00 1.07 H new ATOM 200 N ARG A 690 13.793 -3.910 -1.794 1.00 0.87 N ATOM 201 CA ARG A 690 15.079 -3.576 -2.345 1.00 0.87 C ATOM 202 C ARG A 690 15.771 -2.675 -1.332 1.00 0.85 C ATOM 203 O ARG A 690 15.837 -1.453 -1.468 1.00 0.97 O ATOM 204 CB ARG A 690 14.900 -2.868 -3.696 1.00 1.06 C ATOM 205 CG ARG A 690 14.542 -3.791 -4.866 1.00 1.22 C ATOM 206 CD ARG A 690 13.417 -4.776 -4.541 1.00 1.47 C ATOM 207 NE ARG A 690 12.982 -5.525 -5.722 1.00 2.19 N ATOM 208 CZ ARG A 690 13.432 -6.744 -6.038 1.00 2.74 C ATOM 209 NH1 ARG A 690 14.381 -7.315 -5.303 1.00 2.85 N ATOM 210 NH2 ARG A 690 12.946 -7.384 -7.093 1.00 3.57 N ATOM 0 H ARG A 690 13.079 -3.190 -1.901 1.00 0.87 H new ATOM 0 HA ARG A 690 15.682 -4.466 -2.528 1.00 0.87 H new ATOM 0 HB2 ARG A 690 14.119 -2.115 -3.594 1.00 1.06 H new ATOM 0 HB3 ARG A 690 15.822 -2.340 -3.938 1.00 1.06 H new ATOM 0 HG2 ARG A 690 14.247 -3.183 -5.721 1.00 1.22 H new ATOM 0 HG3 ARG A 690 15.430 -4.350 -5.163 1.00 1.22 H new ATOM 0 HD2 ARG A 690 13.756 -5.473 -3.775 1.00 1.47 H new ATOM 0 HD3 ARG A 690 12.569 -4.232 -4.124 1.00 1.47 H new ATOM 0 HE ARG A 690 12.296 -5.092 -6.340 1.00 2.19 H new ATOM 0 HH11 ARG A 690 14.767 -6.823 -4.497 1.00 2.85 H new ATOM 0 HH12 ARG A 690 14.723 -8.245 -5.545 1.00 2.85 H new ATOM 0 HH21 ARG A 690 12.226 -6.947 -7.668 1.00 3.57 H new ATOM 0 HH22 ARG A 690 13.293 -8.314 -7.330 1.00 3.57 H new ATOM 224 N GLU A 691 16.284 -3.343 -0.323 1.00 0.74 N ATOM 225 CA GLU A 691 16.971 -2.747 0.804 1.00 0.73 C ATOM 226 C GLU A 691 18.465 -3.031 0.729 1.00 0.72 C ATOM 227 O GLU A 691 18.928 -3.717 -0.181 1.00 0.76 O ATOM 228 CB GLU A 691 16.388 -3.250 2.134 1.00 0.70 C ATOM 229 CG GLU A 691 15.040 -2.641 2.490 1.00 0.99 C ATOM 230 CD GLU A 691 15.160 -1.193 2.935 1.00 1.45 C ATOM 231 OE1 GLU A 691 15.160 -0.937 4.161 1.00 1.87 O ATOM 232 OE2 GLU A 691 15.257 -0.306 2.065 1.00 1.98 O ATOM 0 H GLU A 691 16.232 -4.360 -0.262 1.00 0.74 H new ATOM 0 HA GLU A 691 16.822 -1.668 0.760 1.00 0.73 H new ATOM 0 HB2 GLU A 691 16.284 -4.334 2.086 1.00 0.70 H new ATOM 0 HB3 GLU A 691 17.096 -3.033 2.934 1.00 0.70 H new ATOM 0 HG2 GLU A 691 14.378 -2.699 1.626 1.00 0.99 H new ATOM 0 HG3 GLU A 691 14.578 -3.226 3.285 1.00 0.99 H new ATOM 239 N PRO A 692 19.230 -2.445 1.655 1.00 0.77 N ATOM 240 CA PRO A 692 20.588 -2.886 2.039 1.00 0.85 C ATOM 241 C PRO A 692 20.755 -4.425 2.181 1.00 0.85 C ATOM 242 O PRO A 692 21.805 -4.892 2.619 1.00 1.01 O ATOM 243 CB PRO A 692 20.823 -2.208 3.399 1.00 0.96 C ATOM 244 CG PRO A 692 19.581 -1.431 3.705 1.00 0.96 C ATOM 245 CD PRO A 692 18.863 -1.239 2.403 1.00 0.88 C ATOM 0 HA PRO A 692 21.302 -2.614 1.262 1.00 0.85 H new ATOM 0 HB2 PRO A 692 21.018 -2.949 4.174 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.692 -1.551 3.360 1.00 0.96 H new ATOM 0 HG2 PRO A 692 18.954 -1.967 4.417 1.00 0.96 H new ATOM 0 HG3 PRO A 692 19.827 -0.470 4.157 1.00 0.96 H new ATOM 0 HD2 PRO A 692 17.785 -1.161 2.542 1.00 0.88 H new ATOM 0 HD3 PRO A 692 19.185 -0.331 1.892 1.00 0.88 H new ATOM 253 N HIS A 693 19.705 -5.182 1.831 1.00 0.76 N ATOM 254 CA HIS A 693 19.550 -6.609 2.110 1.00 0.84 C ATOM 255 C HIS A 693 19.138 -6.826 3.550 1.00 0.83 C ATOM 256 O HIS A 693 19.763 -7.552 4.321 1.00 1.01 O ATOM 257 CB HIS A 693 20.809 -7.424 1.771 1.00 1.08 C ATOM 258 CG HIS A 693 20.590 -8.910 1.842 1.00 1.45 C ATOM 259 ND1 HIS A 693 21.150 -9.716 2.812 1.00 1.93 N ATOM 260 CD2 HIS A 693 19.854 -9.731 1.057 1.00 2.20 C ATOM 261 CE1 HIS A 693 20.768 -10.966 2.620 1.00 2.48 C ATOM 262 NE2 HIS A 693 19.981 -11.001 1.562 1.00 2.61 N ATOM 0 H HIS A 693 18.909 -4.796 1.324 1.00 0.76 H new ATOM 0 HA HIS A 693 18.759 -6.976 1.455 1.00 0.84 H new ATOM 0 HB2 HIS A 693 21.145 -7.160 0.768 1.00 1.08 H new ATOM 0 HB3 HIS A 693 21.609 -7.148 2.458 1.00 1.08 H new ATOM 0 HD2 HIS A 693 19.274 -9.441 0.193 1.00 2.20 H new ATOM 0 HE1 HIS A 693 21.052 -11.814 3.226 1.00 2.48 H new ATOM 0 HE2 HIS A 693 19.538 -11.837 1.181 1.00 2.61 H new ATOM 271 N SER A 694 18.078 -6.126 3.895 1.00 0.71 N ATOM 272 CA SER A 694 17.301 -6.438 5.058 1.00 0.76 C ATOM 273 C SER A 694 16.217 -7.444 4.682 1.00 0.68 C ATOM 274 O SER A 694 16.108 -7.841 3.518 1.00 0.62 O ATOM 275 CB SER A 694 16.689 -5.161 5.618 1.00 0.82 C ATOM 276 OG SER A 694 17.697 -4.330 6.170 1.00 1.14 O ATOM 0 H SER A 694 17.736 -5.322 3.369 1.00 0.71 H new ATOM 0 HA SER A 694 17.936 -6.880 5.826 1.00 0.76 H new ATOM 0 HB2 SER A 694 16.161 -4.627 4.828 1.00 0.82 H new ATOM 0 HB3 SER A 694 15.953 -5.408 6.383 1.00 0.82 H new ATOM 0 HG SER A 694 17.289 -3.512 6.524 1.00 1.14 H new ATOM 282 N LYS A 695 15.432 -7.855 5.657 1.00 0.75 N ATOM 283 CA LYS A 695 14.372 -8.828 5.428 1.00 0.73 C ATOM 284 C LYS A 695 13.224 -8.200 4.633 1.00 0.59 C ATOM 285 O LYS A 695 13.137 -6.975 4.539 1.00 0.56 O ATOM 286 CB LYS A 695 13.859 -9.391 6.765 1.00 0.91 C ATOM 287 CG LYS A 695 12.996 -8.428 7.580 1.00 1.71 C ATOM 288 CD LYS A 695 13.784 -7.244 8.121 1.00 2.33 C ATOM 289 CE LYS A 695 12.913 -6.343 8.985 1.00 3.33 C ATOM 290 NZ LYS A 695 12.424 -7.042 10.205 1.00 4.08 N ATOM 0 H LYS A 695 15.505 -7.531 6.621 1.00 0.75 H new ATOM 0 HA LYS A 695 14.783 -9.651 4.843 1.00 0.73 H new ATOM 0 HB2 LYS A 695 13.281 -10.293 6.565 1.00 0.91 H new ATOM 0 HB3 LYS A 695 14.716 -9.689 7.370 1.00 0.91 H new ATOM 0 HG2 LYS A 695 12.181 -8.061 6.956 1.00 1.71 H new ATOM 0 HG3 LYS A 695 12.543 -8.968 8.412 1.00 1.71 H new ATOM 0 HD2 LYS A 695 14.629 -7.605 8.707 1.00 2.33 H new ATOM 0 HD3 LYS A 695 14.194 -6.668 7.291 1.00 2.33 H new ATOM 0 HE2 LYS A 695 13.482 -5.460 9.277 1.00 3.33 H new ATOM 0 HE3 LYS A 695 12.061 -5.994 8.401 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 12.057 -6.343 10.882 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 11.665 -7.704 9.945 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 13.208 -7.568 10.641 1.00 4.08 H new ATOM 304 N PRO A 696 12.347 -9.029 4.020 1.00 0.58 N ATOM 305 CA PRO A 696 11.177 -8.534 3.290 1.00 0.49 C ATOM 306 C PRO A 696 10.354 -7.599 4.163 1.00 0.45 C ATOM 307 O PRO A 696 10.130 -7.873 5.345 1.00 0.57 O ATOM 308 CB PRO A 696 10.380 -9.803 2.952 1.00 0.63 C ATOM 309 CG PRO A 696 10.993 -10.892 3.767 1.00 0.94 C ATOM 310 CD PRO A 696 12.422 -10.492 3.990 1.00 0.74 C ATOM 0 HA PRO A 696 11.449 -7.962 2.403 1.00 0.49 H new ATOM 0 HB2 PRO A 696 9.325 -9.679 3.194 1.00 0.63 H new ATOM 0 HB3 PRO A 696 10.438 -10.030 1.888 1.00 0.63 H new ATOM 0 HG2 PRO A 696 10.469 -11.011 4.715 1.00 0.94 H new ATOM 0 HG3 PRO A 696 10.933 -11.848 3.248 1.00 0.94 H new ATOM 0 HD2 PRO A 696 12.815 -10.896 4.923 1.00 0.74 H new ATOM 0 HD3 PRO A 696 13.071 -10.848 3.190 1.00 0.74 H new ATOM 318 N ILE A 697 9.888 -6.511 3.579 1.00 0.46 N ATOM 319 CA ILE A 697 9.360 -5.414 4.361 1.00 0.56 C ATOM 320 C ILE A 697 7.845 -5.344 4.297 1.00 0.51 C ATOM 321 O ILE A 697 7.259 -5.133 3.247 1.00 0.63 O ATOM 322 CB ILE A 697 9.990 -4.073 3.917 1.00 0.82 C ATOM 323 CG1 ILE A 697 11.426 -3.989 4.435 1.00 1.02 C ATOM 324 CG2 ILE A 697 9.173 -2.885 4.404 1.00 1.01 C ATOM 325 CD1 ILE A 697 11.525 -4.130 5.940 1.00 1.15 C ATOM 0 H ILE A 697 9.865 -6.365 2.570 1.00 0.46 H new ATOM 0 HA ILE A 697 9.630 -5.599 5.401 1.00 0.56 H new ATOM 0 HB ILE A 697 9.996 -4.037 2.828 1.00 0.82 H new ATOM 0 HG12 ILE A 697 12.022 -4.770 3.963 1.00 1.02 H new ATOM 0 HG13 ILE A 697 11.858 -3.034 4.137 1.00 1.02 H new ATOM 0 HG21 ILE A 697 9.645 -1.959 4.074 1.00 1.01 H new ATOM 0 HG22 ILE A 697 8.165 -2.945 3.995 1.00 1.01 H new ATOM 0 HG23 ILE A 697 9.124 -2.899 5.493 1.00 1.01 H new ATOM 0 HD11 ILE A 697 12.570 -4.062 6.244 1.00 1.15 H new ATOM 0 HD12 ILE A 697 10.955 -3.333 6.418 1.00 1.15 H new ATOM 0 HD13 ILE A 697 11.122 -5.097 6.242 1.00 1.15 H new ATOM 337 N LYS A 698 7.228 -5.529 5.442 1.00 0.56 N ATOM 338 CA LYS A 698 5.796 -5.393 5.587 1.00 0.65 C ATOM 339 C LYS A 698 5.516 -4.270 6.574 1.00 0.46 C ATOM 340 O LYS A 698 5.910 -4.347 7.739 1.00 0.52 O ATOM 341 CB LYS A 698 5.198 -6.745 6.045 1.00 1.04 C ATOM 342 CG LYS A 698 3.703 -6.754 6.398 1.00 1.91 C ATOM 343 CD LYS A 698 3.392 -6.095 7.739 1.00 2.12 C ATOM 344 CE LYS A 698 4.033 -6.832 8.906 1.00 2.62 C ATOM 345 NZ LYS A 698 3.346 -8.115 9.209 1.00 3.17 N ATOM 0 H LYS A 698 7.709 -5.780 6.306 1.00 0.56 H new ATOM 0 HA LYS A 698 5.324 -5.135 4.639 1.00 0.65 H new ATOM 0 HB2 LYS A 698 5.365 -7.476 5.254 1.00 1.04 H new ATOM 0 HB3 LYS A 698 5.756 -7.086 6.917 1.00 1.04 H new ATOM 0 HG2 LYS A 698 3.149 -6.241 5.612 1.00 1.91 H new ATOM 0 HG3 LYS A 698 3.348 -7.784 6.417 1.00 1.91 H new ATOM 0 HD2 LYS A 698 3.745 -5.064 7.725 1.00 2.12 H new ATOM 0 HD3 LYS A 698 2.312 -6.060 7.883 1.00 2.12 H new ATOM 0 HE2 LYS A 698 5.080 -7.029 8.677 1.00 2.62 H new ATOM 0 HE3 LYS A 698 4.014 -6.195 9.790 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 3.818 -8.581 10.010 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 2.353 -7.928 9.453 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 3.386 -8.736 8.375 1.00 3.17 H new ATOM 359 N PHE A 699 4.869 -3.212 6.112 1.00 0.41 N ATOM 360 CA PHE A 699 4.534 -2.118 6.995 1.00 0.33 C ATOM 361 C PHE A 699 3.042 -1.990 7.163 1.00 0.32 C ATOM 362 O PHE A 699 2.280 -2.055 6.199 1.00 0.33 O ATOM 363 CB PHE A 699 5.128 -0.799 6.515 1.00 0.41 C ATOM 364 CG PHE A 699 6.462 -0.509 7.139 1.00 0.77 C ATOM 365 CD1 PHE A 699 6.533 0.130 8.361 1.00 1.08 C ATOM 366 CD2 PHE A 699 7.637 -0.884 6.515 1.00 1.27 C ATOM 367 CE1 PHE A 699 7.753 0.394 8.954 1.00 1.58 C ATOM 368 CE2 PHE A 699 8.863 -0.623 7.101 1.00 1.76 C ATOM 369 CZ PHE A 699 8.920 0.018 8.321 1.00 1.84 C ATOM 0 H PHE A 699 4.571 -3.092 5.144 1.00 0.41 H new ATOM 0 HA PHE A 699 4.973 -2.348 7.966 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.236 -0.826 5.431 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.438 0.012 6.747 1.00 0.41 H new ATOM 0 HD1 PHE A 699 5.623 0.428 8.860 1.00 1.08 H new ATOM 0 HD2 PHE A 699 7.598 -1.386 5.560 1.00 1.27 H new ATOM 0 HE1 PHE A 699 7.793 0.893 9.911 1.00 1.58 H new ATOM 0 HE2 PHE A 699 9.774 -0.921 6.604 1.00 1.76 H new ATOM 0 HZ PHE A 699 9.876 0.225 8.780 1.00 1.84 H new ATOM 379 N LEU A 700 2.641 -1.829 8.404 1.00 0.32 N ATOM 380 CA LEU A 700 1.259 -1.611 8.737 1.00 0.31 C ATOM 381 C LEU A 700 1.007 -0.115 8.785 1.00 0.28 C ATOM 382 O LEU A 700 1.515 0.579 9.665 1.00 0.34 O ATOM 383 CB LEU A 700 0.958 -2.274 10.088 1.00 0.38 C ATOM 384 CG LEU A 700 -0.488 -2.184 10.594 1.00 0.49 C ATOM 385 CD1 LEU A 700 -0.760 -3.292 11.594 1.00 0.98 C ATOM 386 CD2 LEU A 700 -0.748 -0.834 11.241 1.00 0.73 C ATOM 0 H LEU A 700 3.268 -1.846 9.209 1.00 0.32 H new ATOM 0 HA LEU A 700 0.601 -2.053 7.989 1.00 0.31 H new ATOM 0 HB2 LEU A 700 1.229 -3.328 10.018 1.00 0.38 H new ATOM 0 HB3 LEU A 700 1.610 -1.827 10.839 1.00 0.38 H new ATOM 0 HG LEU A 700 -1.157 -2.296 9.741 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -1.789 -3.219 11.947 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -0.608 -4.259 11.115 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -0.079 -3.195 12.439 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -1.779 -0.792 11.593 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -0.071 -0.698 12.084 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -0.581 -0.042 10.511 1.00 0.73 H new ATOM 398 N VAL A 701 0.267 0.391 7.817 1.00 0.25 N ATOM 399 CA VAL A 701 -0.112 1.781 7.823 1.00 0.27 C ATOM 400 C VAL A 701 -1.626 1.913 7.926 1.00 0.24 C ATOM 401 O VAL A 701 -2.368 1.202 7.246 1.00 0.28 O ATOM 402 CB VAL A 701 0.368 2.537 6.569 1.00 0.35 C ATOM 403 CG1 VAL A 701 1.888 2.559 6.489 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.231 1.919 5.320 1.00 0.41 C ATOM 0 H VAL A 701 -0.080 -0.143 7.020 1.00 0.25 H new ATOM 0 HA VAL A 701 0.373 2.229 8.690 1.00 0.27 H new ATOM 0 HB VAL A 701 0.027 3.570 6.642 1.00 0.35 H new ATOM 0 HG11 VAL A 701 2.197 3.099 5.594 1.00 0.36 H new ATOM 0 HG12 VAL A 701 2.292 3.057 7.371 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.265 1.537 6.445 1.00 0.36 H new ATOM 0 HG21 VAL A 701 0.117 2.463 4.442 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.077 0.876 5.246 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.318 1.973 5.373 1.00 0.41 H new ATOM 414 N SER A 702 -2.102 2.778 8.796 1.00 0.26 N ATOM 415 CA SER A 702 -3.517 3.071 8.800 1.00 0.27 C ATOM 416 C SER A 702 -3.758 4.373 8.055 1.00 0.28 C ATOM 417 O SER A 702 -3.462 5.459 8.554 1.00 0.34 O ATOM 418 CB SER A 702 -4.026 3.156 10.237 1.00 0.34 C ATOM 419 OG SER A 702 -3.309 4.128 10.981 1.00 1.39 O ATOM 0 H SER A 702 -1.548 3.278 9.491 1.00 0.26 H new ATOM 0 HA SER A 702 -4.064 2.274 8.297 1.00 0.27 H new ATOM 0 HB2 SER A 702 -5.087 3.406 10.235 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.929 2.183 10.718 1.00 0.34 H new ATOM 0 HG SER A 702 -3.258 4.961 10.467 1.00 1.39 H new ATOM 425 N VAL A 703 -4.297 4.250 6.852 1.00 0.28 N ATOM 426 CA VAL A 703 -4.586 5.393 6.014 1.00 0.34 C ATOM 427 C VAL A 703 -5.753 5.094 5.104 1.00 0.36 C ATOM 428 O VAL A 703 -5.990 3.947 4.745 1.00 0.40 O ATOM 429 CB VAL A 703 -3.392 5.800 5.127 1.00 0.42 C ATOM 430 CG1 VAL A 703 -2.891 7.185 5.496 1.00 0.77 C ATOM 431 CG2 VAL A 703 -2.264 4.782 5.199 1.00 0.56 C ATOM 0 H VAL A 703 -4.545 3.353 6.433 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.814 6.215 6.693 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.746 5.825 4.096 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -2.049 7.450 4.857 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -3.693 7.911 5.359 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -2.571 7.191 6.538 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.442 5.105 4.561 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -1.914 4.699 6.228 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -2.627 3.812 4.860 1.00 0.56 H new ATOM 441 N SER A 704 -6.470 6.125 4.734 1.00 0.44 N ATOM 442 CA SER A 704 -7.476 6.034 3.699 1.00 0.48 C ATOM 443 C SER A 704 -7.302 7.220 2.786 1.00 0.66 C ATOM 444 O SER A 704 -6.811 8.267 3.215 1.00 0.82 O ATOM 445 CB SER A 704 -8.874 6.067 4.305 1.00 0.49 C ATOM 446 OG SER A 704 -8.934 5.320 5.499 1.00 1.19 O ATOM 0 H SER A 704 -6.374 7.055 5.142 1.00 0.44 H new ATOM 0 HA SER A 704 -7.362 5.097 3.154 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.161 7.099 4.505 1.00 0.49 H new ATOM 0 HB3 SER A 704 -9.592 5.669 3.588 1.00 0.49 H new ATOM 0 HG SER A 704 -9.780 4.826 5.534 1.00 1.19 H new ATOM 452 N LYS A 705 -7.664 7.058 1.534 1.00 0.87 N ATOM 453 CA LYS A 705 -7.637 8.172 0.625 1.00 1.08 C ATOM 454 C LYS A 705 -8.645 9.222 1.056 1.00 0.96 C ATOM 455 O LYS A 705 -9.852 8.995 1.066 1.00 1.22 O ATOM 456 CB LYS A 705 -7.853 7.728 -0.834 1.00 1.57 C ATOM 457 CG LYS A 705 -8.785 6.542 -1.050 1.00 2.47 C ATOM 458 CD LYS A 705 -10.226 6.868 -0.715 1.00 3.17 C ATOM 459 CE LYS A 705 -10.792 7.990 -1.569 1.00 3.91 C ATOM 460 NZ LYS A 705 -12.067 8.508 -1.002 1.00 4.66 N ATOM 0 H LYS A 705 -7.976 6.176 1.129 1.00 0.87 H new ATOM 0 HA LYS A 705 -6.644 8.620 0.663 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -8.244 8.577 -1.395 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -6.882 7.482 -1.264 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -8.721 6.218 -2.089 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -8.452 5.706 -0.435 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -10.836 5.974 -0.848 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -10.295 7.148 0.336 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -10.066 8.800 -1.637 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -10.962 7.628 -2.583 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -12.693 8.812 -1.775 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -12.533 7.757 -0.454 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -11.867 9.317 -0.380 1.00 4.66 H new ATOM 474 N GLU A 706 -8.131 10.353 1.487 1.00 0.96 N ATOM 475 CA GLU A 706 -8.963 11.510 1.688 1.00 1.16 C ATOM 476 C GLU A 706 -9.529 11.921 0.337 1.00 1.49 C ATOM 477 O GLU A 706 -9.222 11.300 -0.685 1.00 1.84 O ATOM 478 CB GLU A 706 -8.172 12.656 2.322 1.00 1.55 C ATOM 479 CG GLU A 706 -8.757 13.131 3.641 1.00 1.85 C ATOM 480 CD GLU A 706 -10.218 13.502 3.519 1.00 2.27 C ATOM 481 OE1 GLU A 706 -11.060 12.827 4.142 1.00 2.69 O ATOM 482 OE2 GLU A 706 -10.538 14.451 2.772 1.00 2.79 O ATOM 0 H GLU A 706 -7.144 10.492 1.703 1.00 0.96 H new ATOM 0 HA GLU A 706 -9.774 11.269 2.376 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -7.144 12.333 2.484 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -8.137 13.493 1.625 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -8.645 12.347 4.389 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -8.194 13.994 3.996 1.00 1.85 H new ATOM 489 N ASN A 707 -10.337 12.953 0.307 1.00 1.81 N ATOM 490 CA ASN A 707 -10.955 13.377 -0.938 1.00 2.13 C ATOM 491 C ASN A 707 -9.906 13.881 -1.940 1.00 1.71 C ATOM 492 O ASN A 707 -10.255 14.317 -3.037 1.00 1.87 O ATOM 493 CB ASN A 707 -12.022 14.450 -0.676 1.00 2.79 C ATOM 494 CG ASN A 707 -11.455 15.844 -0.466 1.00 3.37 C ATOM 495 OD1 ASN A 707 -11.380 16.643 -1.399 1.00 3.87 O ATOM 496 ND2 ASN A 707 -11.043 16.145 0.753 1.00 3.89 N ATOM 0 H ASN A 707 -10.584 13.515 1.121 1.00 1.81 H new ATOM 0 HA ASN A 707 -11.443 12.509 -1.381 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -12.714 14.473 -1.518 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -12.599 14.167 0.204 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -10.647 17.065 0.945 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -11.121 15.457 1.502 1.00 3.89 H new ATOM 503 N SER A 708 -8.618 13.798 -1.586 1.00 1.30 N ATOM 504 CA SER A 708 -7.592 14.390 -2.422 1.00 1.07 C ATOM 505 C SER A 708 -6.908 13.365 -3.332 1.00 0.94 C ATOM 506 O SER A 708 -6.975 13.482 -4.556 1.00 1.14 O ATOM 507 CB SER A 708 -6.540 15.013 -1.501 1.00 1.20 C ATOM 508 OG SER A 708 -7.163 15.810 -0.506 1.00 1.82 O ATOM 0 H SER A 708 -8.276 13.335 -0.744 1.00 1.30 H new ATOM 0 HA SER A 708 -8.063 15.131 -3.068 1.00 1.07 H new ATOM 0 HB2 SER A 708 -5.949 14.228 -1.030 1.00 1.20 H new ATOM 0 HB3 SER A 708 -5.851 15.623 -2.086 1.00 1.20 H new ATOM 0 HG SER A 708 -6.478 16.200 0.076 1.00 1.82 H new ATOM 514 N THR A 709 -6.261 12.359 -2.752 1.00 0.79 N ATOM 515 CA THR A 709 -5.687 11.280 -3.544 1.00 0.73 C ATOM 516 C THR A 709 -5.857 9.920 -2.863 1.00 0.64 C ATOM 517 O THR A 709 -6.019 9.853 -1.646 1.00 0.67 O ATOM 518 CB THR A 709 -4.199 11.554 -3.864 1.00 0.81 C ATOM 519 OG1 THR A 709 -3.660 10.504 -4.670 1.00 0.90 O ATOM 520 CG2 THR A 709 -3.371 11.703 -2.599 1.00 0.85 C ATOM 0 H THR A 709 -6.122 12.269 -1.745 1.00 0.79 H new ATOM 0 HA THR A 709 -6.237 11.245 -4.485 1.00 0.73 H new ATOM 0 HB THR A 709 -4.153 12.494 -4.414 1.00 0.81 H new ATOM 0 HG1 THR A 709 -2.774 10.765 -4.998 1.00 0.90 H new ATOM 0 HG21 THR A 709 -2.331 11.894 -2.865 1.00 0.85 H new ATOM 0 HG22 THR A 709 -3.754 12.536 -2.009 1.00 0.85 H new ATOM 0 HG23 THR A 709 -3.433 10.786 -2.014 1.00 0.85 H new ATOM 528 N ALA A 710 -5.769 8.844 -3.653 1.00 0.68 N ATOM 529 CA ALA A 710 -5.681 7.480 -3.133 1.00 0.65 C ATOM 530 C ALA A 710 -4.270 7.226 -2.626 1.00 0.48 C ATOM 531 O ALA A 710 -4.022 6.355 -1.796 1.00 0.46 O ATOM 532 CB ALA A 710 -6.046 6.476 -4.220 1.00 0.86 C ATOM 0 H ALA A 710 -5.757 8.897 -4.672 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.385 7.360 -2.309 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -5.976 5.465 -3.819 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -7.065 6.662 -4.560 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -5.358 6.582 -5.059 1.00 0.86 H new ATOM 538 N SER A 711 -3.368 8.045 -3.135 1.00 0.49 N ATOM 539 CA SER A 711 -1.932 7.896 -2.955 1.00 0.51 C ATOM 540 C SER A 711 -1.532 7.973 -1.492 1.00 0.43 C ATOM 541 O SER A 711 -0.552 7.364 -1.095 1.00 0.43 O ATOM 542 CB SER A 711 -1.187 8.958 -3.767 1.00 0.70 C ATOM 543 OG SER A 711 0.220 8.815 -3.654 1.00 1.55 O ATOM 0 H SER A 711 -3.619 8.855 -3.701 1.00 0.49 H new ATOM 0 HA SER A 711 -1.655 6.906 -3.316 1.00 0.51 H new ATOM 0 HB2 SER A 711 -1.477 8.884 -4.815 1.00 0.70 H new ATOM 0 HB3 SER A 711 -1.480 9.950 -3.424 1.00 0.70 H new ATOM 0 HG SER A 711 0.663 9.508 -4.186 1.00 1.55 H new ATOM 549 N GLU A 712 -2.299 8.703 -0.694 1.00 0.43 N ATOM 550 CA GLU A 712 -1.950 8.958 0.695 1.00 0.46 C ATOM 551 C GLU A 712 -1.712 7.656 1.466 1.00 0.39 C ATOM 552 O GLU A 712 -0.893 7.615 2.387 1.00 0.42 O ATOM 553 CB GLU A 712 -3.072 9.780 1.337 1.00 0.56 C ATOM 554 CG GLU A 712 -3.288 11.124 0.650 1.00 0.67 C ATOM 555 CD GLU A 712 -2.409 12.215 1.221 1.00 1.19 C ATOM 556 OE1 GLU A 712 -1.242 12.325 0.796 1.00 1.54 O ATOM 557 OE2 GLU A 712 -2.882 12.968 2.099 1.00 1.78 O ATOM 0 H GLU A 712 -3.176 9.133 -0.990 1.00 0.43 H new ATOM 0 HA GLU A 712 -1.015 9.517 0.732 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.999 9.208 1.305 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -2.837 9.948 2.388 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -3.086 11.020 -0.416 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -4.334 11.415 0.749 1.00 0.67 H new ATOM 564 N VAL A 713 -2.413 6.591 1.091 1.00 0.34 N ATOM 565 CA VAL A 713 -2.200 5.304 1.723 1.00 0.33 C ATOM 566 C VAL A 713 -0.848 4.703 1.329 1.00 0.29 C ATOM 567 O VAL A 713 -0.088 4.246 2.182 1.00 0.29 O ATOM 568 CB VAL A 713 -3.345 4.314 1.420 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.656 4.929 1.849 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.407 3.901 -0.046 1.00 0.40 C ATOM 0 H VAL A 713 -3.125 6.597 0.360 1.00 0.34 H new ATOM 0 HA VAL A 713 -2.193 5.480 2.799 1.00 0.33 H new ATOM 0 HB VAL A 713 -3.149 3.402 1.984 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.470 4.235 1.638 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.627 5.139 2.918 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.819 5.857 1.301 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -4.233 3.205 -0.193 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.562 4.784 -0.666 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.471 3.419 -0.328 1.00 0.40 H new ATOM 580 N LEU A 714 -0.547 4.719 0.036 1.00 0.33 N ATOM 581 CA LEU A 714 0.709 4.188 -0.473 1.00 0.37 C ATOM 582 C LEU A 714 1.859 5.096 -0.041 1.00 0.34 C ATOM 583 O LEU A 714 2.981 4.643 0.190 1.00 0.37 O ATOM 584 CB LEU A 714 0.649 4.017 -1.998 1.00 0.46 C ATOM 585 CG LEU A 714 0.981 5.252 -2.827 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.441 5.233 -3.227 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.085 5.325 -4.048 1.00 0.84 C ATOM 0 H LEU A 714 -1.163 5.098 -0.684 1.00 0.33 H new ATOM 0 HA LEU A 714 0.883 3.198 -0.052 1.00 0.37 H new ATOM 0 HB2 LEU A 714 1.336 3.220 -2.281 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.354 3.684 -2.266 1.00 0.46 H new ATOM 0 HG LEU A 714 0.802 6.142 -2.223 1.00 0.45 H new ATOM 0 HD11 LEU A 714 2.668 6.120 -3.819 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.063 5.225 -2.332 1.00 0.64 H new ATOM 0 HD13 LEU A 714 2.645 4.340 -3.818 1.00 0.64 H new ATOM 0 HD21 LEU A 714 0.334 6.212 -4.630 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.232 4.436 -4.661 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.957 5.379 -3.732 1.00 0.84 H new ATOM 599 N ASP A 715 1.558 6.389 0.037 1.00 0.32 N ATOM 600 CA ASP A 715 2.499 7.402 0.492 1.00 0.34 C ATOM 601 C ASP A 715 3.009 7.064 1.883 1.00 0.32 C ATOM 602 O ASP A 715 4.184 7.255 2.194 1.00 0.36 O ATOM 603 CB ASP A 715 1.799 8.760 0.493 1.00 0.40 C ATOM 604 CG ASP A 715 2.632 9.867 1.103 1.00 0.99 C ATOM 605 OD1 ASP A 715 2.497 10.123 2.319 1.00 1.94 O ATOM 606 OD2 ASP A 715 3.409 10.507 0.364 1.00 1.37 O ATOM 0 H ASP A 715 0.644 6.764 -0.217 1.00 0.32 H new ATOM 0 HA ASP A 715 3.356 7.435 -0.181 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.545 9.030 -0.532 1.00 0.40 H new ATOM 0 HB3 ASP A 715 0.861 8.676 1.043 1.00 0.40 H new ATOM 611 N SER A 716 2.117 6.525 2.705 1.00 0.28 N ATOM 612 CA SER A 716 2.477 6.062 4.027 1.00 0.28 C ATOM 613 C SER A 716 3.476 4.909 3.950 1.00 0.30 C ATOM 614 O SER A 716 4.400 4.806 4.755 1.00 0.33 O ATOM 615 CB SER A 716 1.212 5.617 4.747 1.00 0.29 C ATOM 616 OG SER A 716 0.414 6.729 5.118 1.00 0.41 O ATOM 0 H SER A 716 1.132 6.400 2.471 1.00 0.28 H new ATOM 0 HA SER A 716 2.953 6.874 4.576 1.00 0.28 H new ATOM 0 HB2 SER A 716 0.637 4.953 4.101 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.479 5.045 5.636 1.00 0.29 H new ATOM 0 HG SER A 716 0.023 7.133 4.316 1.00 0.41 H new ATOM 622 N LEU A 717 3.265 4.042 2.984 1.00 0.32 N ATOM 623 CA LEU A 717 4.065 2.841 2.836 1.00 0.39 C ATOM 624 C LEU A 717 5.421 3.127 2.229 1.00 0.37 C ATOM 625 O LEU A 717 6.434 2.681 2.748 1.00 0.43 O ATOM 626 CB LEU A 717 3.325 1.872 1.963 1.00 0.52 C ATOM 627 CG LEU A 717 1.989 1.456 2.524 1.00 0.75 C ATOM 628 CD1 LEU A 717 1.181 0.687 1.504 1.00 1.42 C ATOM 629 CD2 LEU A 717 2.262 0.628 3.750 1.00 1.42 C ATOM 0 H LEU A 717 2.536 4.147 2.279 1.00 0.32 H new ATOM 0 HA LEU A 717 4.232 2.423 3.829 1.00 0.39 H new ATOM 0 HB2 LEU A 717 3.174 2.322 0.982 1.00 0.52 H new ATOM 0 HB3 LEU A 717 3.941 0.985 1.816 1.00 0.52 H new ATOM 0 HG LEU A 717 1.393 2.331 2.783 1.00 0.75 H new ATOM 0 HD11 LEU A 717 0.223 0.401 1.939 1.00 1.42 H new ATOM 0 HD12 LEU A 717 1.010 1.313 0.629 1.00 1.42 H new ATOM 0 HD13 LEU A 717 1.727 -0.209 1.208 1.00 1.42 H new ATOM 0 HD21 LEU A 717 1.318 0.305 4.189 1.00 1.42 H new ATOM 0 HD22 LEU A 717 2.852 -0.246 3.475 1.00 1.42 H new ATOM 0 HD23 LEU A 717 2.814 1.224 4.476 1.00 1.42 H new ATOM 641 N SER A 718 5.433 3.838 1.112 1.00 0.33 N ATOM 642 CA SER A 718 6.677 4.246 0.494 1.00 0.38 C ATOM 643 C SER A 718 7.640 4.886 1.493 1.00 0.30 C ATOM 644 O SER A 718 8.813 4.514 1.551 1.00 0.31 O ATOM 645 CB SER A 718 6.388 5.220 -0.637 1.00 0.50 C ATOM 646 OG SER A 718 5.482 6.225 -0.221 1.00 1.52 O ATOM 0 H SER A 718 4.594 4.142 0.618 1.00 0.33 H new ATOM 0 HA SER A 718 7.160 3.349 0.106 1.00 0.38 H new ATOM 0 HB2 SER A 718 7.318 5.680 -0.973 1.00 0.50 H new ATOM 0 HB3 SER A 718 5.973 4.681 -1.489 1.00 0.50 H new ATOM 0 HG SER A 718 4.580 5.847 -0.160 1.00 1.52 H new ATOM 652 N GLN A 719 7.153 5.821 2.299 1.00 0.29 N ATOM 653 CA GLN A 719 8.012 6.496 3.259 1.00 0.31 C ATOM 654 C GLN A 719 8.493 5.507 4.316 1.00 0.35 C ATOM 655 O GLN A 719 9.647 5.541 4.746 1.00 0.41 O ATOM 656 CB GLN A 719 7.277 7.673 3.890 1.00 0.37 C ATOM 657 CG GLN A 719 6.077 7.261 4.697 1.00 0.39 C ATOM 658 CD GLN A 719 5.349 8.431 5.325 1.00 0.48 C ATOM 659 OE1 GLN A 719 4.761 8.306 6.399 1.00 1.10 O ATOM 660 NE2 GLN A 719 5.385 9.580 4.669 1.00 1.35 N ATOM 0 H GLN A 719 6.180 6.125 2.307 1.00 0.29 H new ATOM 0 HA GLN A 719 8.888 6.889 2.743 1.00 0.31 H new ATOM 0 HB2 GLN A 719 7.967 8.221 4.532 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.960 8.358 3.104 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.386 6.714 4.055 1.00 0.39 H new ATOM 0 HG3 GLN A 719 6.394 6.575 5.482 1.00 0.39 H new ATOM 0 HE21 GLN A 719 5.883 9.645 3.781 1.00 1.35 H new ATOM 0 HE22 GLN A 719 4.915 10.401 5.051 1.00 1.35 H new ATOM 669 N SER A 720 7.598 4.607 4.696 1.00 0.35 N ATOM 670 CA SER A 720 7.920 3.487 5.562 1.00 0.45 C ATOM 671 C SER A 720 9.033 2.627 4.964 1.00 0.49 C ATOM 672 O SER A 720 9.826 2.016 5.676 1.00 0.60 O ATOM 673 CB SER A 720 6.658 2.649 5.731 1.00 0.50 C ATOM 674 OG SER A 720 5.720 3.294 6.579 1.00 0.51 O ATOM 0 H SER A 720 6.620 4.636 4.408 1.00 0.35 H new ATOM 0 HA SER A 720 8.272 3.861 6.523 1.00 0.45 H new ATOM 0 HB2 SER A 720 6.206 2.468 4.756 1.00 0.50 H new ATOM 0 HB3 SER A 720 6.918 1.676 6.147 1.00 0.50 H new ATOM 0 HG SER A 720 5.166 3.905 6.049 1.00 0.51 H new ATOM 680 N VAL A 721 9.092 2.620 3.647 1.00 0.45 N ATOM 681 CA VAL A 721 9.965 1.737 2.899 1.00 0.54 C ATOM 682 C VAL A 721 11.307 2.417 2.564 1.00 0.53 C ATOM 683 O VAL A 721 12.193 1.821 1.950 1.00 0.67 O ATOM 684 CB VAL A 721 9.198 1.258 1.637 1.00 0.58 C ATOM 685 CG1 VAL A 721 10.109 0.748 0.544 1.00 0.65 C ATOM 686 CG2 VAL A 721 8.198 0.186 2.031 1.00 0.70 C ATOM 0 H VAL A 721 8.529 3.234 3.059 1.00 0.45 H new ATOM 0 HA VAL A 721 10.229 0.868 3.501 1.00 0.54 H new ATOM 0 HB VAL A 721 8.681 2.125 1.225 1.00 0.58 H new ATOM 0 HG11 VAL A 721 9.510 0.429 -0.309 1.00 0.65 H new ATOM 0 HG12 VAL A 721 10.787 1.544 0.235 1.00 0.65 H new ATOM 0 HG13 VAL A 721 10.688 -0.097 0.917 1.00 0.65 H new ATOM 0 HG21 VAL A 721 7.659 -0.151 1.146 1.00 0.70 H new ATOM 0 HG22 VAL A 721 8.725 -0.657 2.478 1.00 0.70 H new ATOM 0 HG23 VAL A 721 7.491 0.595 2.753 1.00 0.70 H new ATOM 696 N HIS A 722 11.478 3.639 3.063 1.00 0.44 N ATOM 697 CA HIS A 722 12.700 4.425 2.831 1.00 0.50 C ATOM 698 C HIS A 722 12.829 4.779 1.359 1.00 0.47 C ATOM 699 O HIS A 722 13.930 4.859 0.811 1.00 0.60 O ATOM 700 CB HIS A 722 13.966 3.666 3.280 1.00 0.69 C ATOM 701 CG HIS A 722 14.010 3.323 4.737 1.00 1.37 C ATOM 702 ND1 HIS A 722 14.373 2.077 5.204 1.00 2.03 N ATOM 703 CD2 HIS A 722 13.764 4.075 5.835 1.00 2.30 C ATOM 704 CE1 HIS A 722 14.347 2.079 6.523 1.00 2.74 C ATOM 705 NE2 HIS A 722 13.981 3.280 6.932 1.00 2.91 N ATOM 0 H HIS A 722 10.782 4.115 3.637 1.00 0.44 H new ATOM 0 HA HIS A 722 12.614 5.334 3.427 1.00 0.50 H new ATOM 0 HB2 HIS A 722 14.044 2.745 2.702 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.840 4.270 3.037 1.00 0.69 H new ATOM 0 HD1 HIS A 722 14.623 1.278 4.621 1.00 2.03 H new ATOM 0 HD2 HIS A 722 13.454 5.110 5.846 1.00 2.30 H new ATOM 0 HE1 HIS A 722 14.585 1.240 7.160 1.00 2.74 H new ATOM 714 N VAL A 723 11.691 4.991 0.733 1.00 0.36 N ATOM 715 CA VAL A 723 11.637 5.320 -0.676 1.00 0.39 C ATOM 716 C VAL A 723 10.567 6.375 -0.931 1.00 0.36 C ATOM 717 O VAL A 723 9.648 6.541 -0.130 1.00 0.34 O ATOM 718 CB VAL A 723 11.342 4.067 -1.525 1.00 0.47 C ATOM 719 CG1 VAL A 723 9.932 3.562 -1.272 1.00 0.41 C ATOM 720 CG2 VAL A 723 11.567 4.347 -2.999 1.00 0.62 C ATOM 0 H VAL A 723 10.778 4.940 1.185 1.00 0.36 H new ATOM 0 HA VAL A 723 12.610 5.715 -0.966 1.00 0.39 H new ATOM 0 HB VAL A 723 12.037 3.283 -1.225 1.00 0.47 H new ATOM 0 HG11 VAL A 723 9.747 2.678 -1.882 1.00 0.41 H new ATOM 0 HG12 VAL A 723 9.821 3.306 -0.218 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.215 4.340 -1.534 1.00 0.41 H new ATOM 0 HG21 VAL A 723 11.352 3.448 -3.577 1.00 0.62 H new ATOM 0 HG22 VAL A 723 10.907 5.152 -3.321 1.00 0.62 H new ATOM 0 HG23 VAL A 723 12.604 4.642 -3.159 1.00 0.62 H new ATOM 730 N LYS A 724 10.716 7.120 -2.013 1.00 0.45 N ATOM 731 CA LYS A 724 9.670 8.029 -2.451 1.00 0.52 C ATOM 732 C LYS A 724 8.390 7.241 -2.762 1.00 0.44 C ATOM 733 O LYS A 724 8.469 6.029 -2.971 1.00 0.37 O ATOM 734 CB LYS A 724 10.135 8.786 -3.693 1.00 0.67 C ATOM 735 CG LYS A 724 11.366 9.643 -3.463 1.00 1.41 C ATOM 736 CD LYS A 724 12.232 9.674 -4.705 1.00 1.48 C ATOM 737 CE LYS A 724 12.932 8.340 -4.914 1.00 0.91 C ATOM 738 NZ LYS A 724 13.231 8.087 -6.349 1.00 1.46 N ATOM 0 H LYS A 724 11.548 7.114 -2.603 1.00 0.45 H new ATOM 0 HA LYS A 724 9.458 8.744 -1.656 1.00 0.52 H new ATOM 0 HB2 LYS A 724 10.346 8.069 -4.486 1.00 0.67 H new ATOM 0 HB3 LYS A 724 9.322 9.421 -4.045 1.00 0.67 H new ATOM 0 HG2 LYS A 724 11.066 10.656 -3.197 1.00 1.41 H new ATOM 0 HG3 LYS A 724 11.939 9.249 -2.623 1.00 1.41 H new ATOM 0 HD2 LYS A 724 11.618 9.907 -5.575 1.00 1.48 H new ATOM 0 HD3 LYS A 724 12.973 10.468 -4.616 1.00 1.48 H new ATOM 0 HE2 LYS A 724 13.860 8.324 -4.342 1.00 0.91 H new ATOM 0 HE3 LYS A 724 12.305 7.537 -4.527 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 14.125 7.561 -6.430 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 12.461 7.529 -6.771 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 13.316 8.994 -6.851 1.00 1.46 H new ATOM 752 N PRO A 725 7.208 7.888 -2.793 1.00 0.52 N ATOM 753 CA PRO A 725 5.906 7.217 -3.018 1.00 0.54 C ATOM 754 C PRO A 725 5.927 6.160 -4.134 1.00 0.49 C ATOM 755 O PRO A 725 5.219 5.159 -4.083 1.00 0.54 O ATOM 756 CB PRO A 725 4.959 8.373 -3.392 1.00 0.68 C ATOM 757 CG PRO A 725 5.808 9.606 -3.445 1.00 0.83 C ATOM 758 CD PRO A 725 7.020 9.328 -2.604 1.00 0.67 C ATOM 0 HA PRO A 725 5.605 6.658 -2.132 1.00 0.54 H new ATOM 0 HB2 PRO A 725 4.480 8.188 -4.353 1.00 0.68 H new ATOM 0 HB3 PRO A 725 4.164 8.479 -2.654 1.00 0.68 H new ATOM 0 HG2 PRO A 725 6.093 9.836 -4.472 1.00 0.83 H new ATOM 0 HG3 PRO A 725 5.262 10.469 -3.064 1.00 0.83 H new ATOM 0 HD2 PRO A 725 7.886 9.898 -2.938 1.00 0.67 H new ATOM 0 HD3 PRO A 725 6.855 9.583 -1.557 1.00 0.67 H new ATOM 766 N GLU A 726 6.811 6.366 -5.083 1.00 0.44 N ATOM 767 CA GLU A 726 6.796 5.688 -6.374 1.00 0.48 C ATOM 768 C GLU A 726 6.920 4.170 -6.312 1.00 0.51 C ATOM 769 O GLU A 726 6.716 3.500 -7.324 1.00 0.62 O ATOM 770 CB GLU A 726 7.960 6.180 -7.212 1.00 0.45 C ATOM 771 CG GLU A 726 8.478 7.547 -6.815 1.00 0.67 C ATOM 772 CD GLU A 726 9.681 7.973 -7.630 1.00 1.53 C ATOM 773 OE1 GLU A 726 10.808 7.556 -7.293 1.00 2.38 O ATOM 774 OE2 GLU A 726 9.506 8.733 -8.602 1.00 1.89 O ATOM 0 H GLU A 726 7.583 7.025 -4.983 1.00 0.44 H new ATOM 0 HA GLU A 726 5.820 5.923 -6.798 1.00 0.48 H new ATOM 0 HB2 GLU A 726 8.775 5.460 -7.139 1.00 0.45 H new ATOM 0 HB3 GLU A 726 7.653 6.210 -8.258 1.00 0.45 H new ATOM 0 HG2 GLU A 726 7.683 8.282 -6.937 1.00 0.67 H new ATOM 0 HG3 GLU A 726 8.745 7.538 -5.758 1.00 0.67 H new ATOM 781 N ASN A 727 7.236 3.616 -5.166 1.00 0.45 N ATOM 782 CA ASN A 727 7.662 2.222 -5.130 1.00 0.48 C ATOM 783 C ASN A 727 6.517 1.237 -5.160 1.00 0.48 C ATOM 784 O ASN A 727 6.703 0.096 -5.607 1.00 0.52 O ATOM 785 CB ASN A 727 8.445 1.938 -3.857 1.00 0.51 C ATOM 786 CG ASN A 727 9.862 1.479 -4.123 1.00 1.11 C ATOM 787 OD1 ASN A 727 10.491 1.898 -5.093 1.00 1.74 O ATOM 788 ND2 ASN A 727 10.379 0.618 -3.261 1.00 1.84 N ATOM 0 H ASN A 727 7.211 4.088 -4.262 1.00 0.45 H new ATOM 0 HA ASN A 727 8.268 2.089 -6.026 1.00 0.48 H new ATOM 0 HB2 ASN A 727 8.470 2.839 -3.244 1.00 0.51 H new ATOM 0 HB3 ASN A 727 7.924 1.174 -3.280 1.00 0.51 H new ATOM 0 HD21 ASN A 727 11.332 0.278 -3.389 1.00 1.84 H new ATOM 0 HD22 ASN A 727 9.824 0.294 -2.469 1.00 1.84 H new ATOM 795 N LEU A 728 5.348 1.650 -4.715 1.00 0.48 N ATOM 796 CA LEU A 728 4.289 0.695 -4.508 1.00 0.47 C ATOM 797 C LEU A 728 3.069 0.921 -5.375 1.00 0.47 C ATOM 798 O LEU A 728 2.570 2.036 -5.466 1.00 0.63 O ATOM 799 CB LEU A 728 3.815 0.791 -3.075 1.00 0.70 C ATOM 800 CG LEU A 728 4.875 1.036 -2.014 1.00 1.26 C ATOM 801 CD1 LEU A 728 5.522 2.412 -2.091 1.00 1.83 C ATOM 802 CD2 LEU A 728 4.244 0.900 -0.680 1.00 1.87 C ATOM 0 H LEU A 728 5.114 2.618 -4.495 1.00 0.48 H new ATOM 0 HA LEU A 728 4.715 -0.275 -4.764 1.00 0.47 H new ATOM 0 HB2 LEU A 728 3.082 1.595 -3.014 1.00 0.70 H new ATOM 0 HB3 LEU A 728 3.295 -0.134 -2.827 1.00 0.70 H new ATOM 0 HG LEU A 728 5.663 0.302 -2.185 1.00 1.26 H new ATOM 0 HD11 LEU A 728 6.267 2.509 -1.301 1.00 1.83 H new ATOM 0 HD12 LEU A 728 6.004 2.534 -3.061 1.00 1.83 H new ATOM 0 HD13 LEU A 728 4.759 3.180 -1.966 1.00 1.83 H new ATOM 0 HD21 LEU A 728 4.991 1.073 0.095 1.00 1.87 H new ATOM 0 HD22 LEU A 728 3.442 1.631 -0.581 1.00 1.87 H new ATOM 0 HD23 LEU A 728 3.835 -0.104 -0.572 1.00 1.87 H new ATOM 814 N ARG A 729 2.594 -0.137 -6.020 1.00 0.36 N ATOM 815 CA ARG A 729 1.183 -0.231 -6.357 1.00 0.41 C ATOM 816 C ARG A 729 0.760 -1.704 -6.451 1.00 0.32 C ATOM 817 O ARG A 729 1.233 -2.434 -7.321 1.00 0.34 O ATOM 818 CB ARG A 729 0.889 0.518 -7.681 1.00 0.56 C ATOM 819 CG ARG A 729 1.410 -0.161 -8.951 1.00 0.70 C ATOM 820 CD ARG A 729 2.912 -0.405 -8.906 1.00 0.54 C ATOM 821 NE ARG A 729 3.377 -1.244 -10.011 1.00 1.21 N ATOM 822 CZ ARG A 729 4.658 -1.563 -10.215 1.00 1.75 C ATOM 823 NH1 ARG A 729 5.609 -1.005 -9.476 1.00 2.18 N ATOM 824 NH2 ARG A 729 4.995 -2.409 -11.180 1.00 2.58 N ATOM 0 H ARG A 729 3.159 -0.933 -6.317 1.00 0.36 H new ATOM 0 HA ARG A 729 0.600 0.244 -5.568 1.00 0.41 H new ATOM 0 HB2 ARG A 729 -0.189 0.646 -7.774 1.00 0.56 H new ATOM 0 HB3 ARG A 729 1.324 1.515 -7.618 1.00 0.56 H new ATOM 0 HG2 ARG A 729 0.895 -1.111 -9.089 1.00 0.70 H new ATOM 0 HG3 ARG A 729 1.171 0.459 -9.815 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.433 0.552 -8.936 1.00 0.54 H new ATOM 0 HD3 ARG A 729 3.172 -0.880 -7.960 1.00 0.54 H new ATOM 0 HE ARG A 729 2.682 -1.607 -10.664 1.00 1.21 H new ATOM 0 HH11 ARG A 729 5.362 -0.331 -8.751 1.00 2.18 H new ATOM 0 HH12 ARG A 729 6.587 -1.250 -9.633 1.00 2.18 H new ATOM 0 HH21 ARG A 729 4.274 -2.821 -11.772 1.00 2.58 H new ATOM 0 HH22 ARG A 729 5.975 -2.648 -11.330 1.00 2.58 H new ATOM 838 N LEU A 730 -0.027 -2.194 -5.501 1.00 0.32 N ATOM 839 CA LEU A 730 -0.935 -3.303 -5.771 1.00 0.34 C ATOM 840 C LEU A 730 -2.016 -3.372 -4.722 1.00 0.42 C ATOM 841 O LEU A 730 -1.707 -3.899 -3.684 1.00 0.73 O ATOM 842 CB LEU A 730 -0.176 -4.609 -5.697 1.00 0.37 C ATOM 843 CG LEU A 730 -0.935 -5.803 -6.269 1.00 0.53 C ATOM 844 CD1 LEU A 730 -1.245 -5.592 -7.741 1.00 1.23 C ATOM 845 CD2 LEU A 730 -0.145 -7.072 -6.071 1.00 1.22 C ATOM 0 H LEU A 730 -0.056 -1.844 -4.543 1.00 0.32 H new ATOM 0 HA LEU A 730 -1.368 -3.145 -6.759 1.00 0.34 H new ATOM 0 HB2 LEU A 730 0.767 -4.500 -6.234 1.00 0.37 H new ATOM 0 HB3 LEU A 730 0.072 -4.815 -4.656 1.00 0.37 H new ATOM 0 HG LEU A 730 -1.880 -5.895 -5.734 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -1.786 -6.456 -8.126 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.857 -4.698 -7.859 1.00 1.23 H new ATOM 0 HD13 LEU A 730 -0.314 -5.470 -8.295 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.700 -7.914 -6.484 1.00 1.22 H new ATOM 0 HD22 LEU A 730 0.815 -6.986 -6.579 1.00 1.22 H new ATOM 0 HD23 LEU A 730 0.021 -7.235 -5.006 1.00 1.22 H new ATOM 857 N ALA A 731 -3.276 -3.070 -4.947 1.00 0.34 N ATOM 858 CA ALA A 731 -4.167 -3.243 -3.828 1.00 0.37 C ATOM 859 C ALA A 731 -5.156 -4.339 -4.098 1.00 0.37 C ATOM 860 O ALA A 731 -6.017 -4.200 -4.954 1.00 0.50 O ATOM 861 CB ALA A 731 -4.888 -1.946 -3.492 1.00 0.46 C ATOM 0 H ALA A 731 -3.681 -2.731 -5.820 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.564 -3.527 -2.966 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -5.553 -2.109 -2.644 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.157 -1.179 -3.238 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.472 -1.620 -4.353 1.00 0.46 H new ATOM 867 N GLU A 732 -5.092 -5.378 -3.291 1.00 0.39 N ATOM 868 CA GLU A 732 -6.020 -6.471 -3.396 1.00 0.46 C ATOM 869 C GLU A 732 -6.929 -6.448 -2.196 1.00 0.57 C ATOM 870 O GLU A 732 -6.507 -6.094 -1.115 1.00 0.66 O ATOM 871 CB GLU A 732 -5.270 -7.803 -3.538 1.00 0.66 C ATOM 872 CG GLU A 732 -4.661 -8.352 -2.265 1.00 0.76 C ATOM 873 CD GLU A 732 -3.926 -9.657 -2.506 1.00 0.78 C ATOM 874 OE1 GLU A 732 -2.880 -9.888 -1.852 1.00 1.02 O ATOM 875 OE2 GLU A 732 -4.375 -10.452 -3.353 1.00 1.19 O ATOM 0 H GLU A 732 -4.398 -5.483 -2.551 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.631 -6.365 -4.292 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -5.959 -8.546 -3.939 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -4.476 -7.675 -4.273 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -3.971 -7.619 -1.847 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -5.446 -8.509 -1.525 1.00 0.76 H new ATOM 882 N VAL A 733 -8.187 -6.750 -2.415 1.00 0.69 N ATOM 883 CA VAL A 733 -9.206 -6.621 -1.384 1.00 0.90 C ATOM 884 C VAL A 733 -9.896 -7.961 -1.115 1.00 1.17 C ATOM 885 O VAL A 733 -9.941 -8.796 -1.980 1.00 1.35 O ATOM 886 CB VAL A 733 -10.219 -5.520 -1.755 1.00 1.19 C ATOM 887 CG1 VAL A 733 -9.957 -4.292 -0.921 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.135 -5.153 -3.228 1.00 1.64 C ATOM 0 H VAL A 733 -8.539 -7.092 -3.309 1.00 0.69 H new ATOM 0 HA VAL A 733 -8.717 -6.322 -0.457 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.219 -5.906 -1.558 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -10.674 -3.514 -1.184 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -10.062 -4.540 0.135 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -8.946 -3.933 -1.110 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -10.864 -4.374 -3.451 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -9.133 -4.788 -3.456 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -10.347 -6.033 -3.835 1.00 1.64 H new ATOM 898 N ILE A 734 -10.315 -8.220 0.114 1.00 1.30 N ATOM 899 CA ILE A 734 -11.054 -9.454 0.420 1.00 1.65 C ATOM 900 C ILE A 734 -12.523 -9.114 0.629 1.00 1.93 C ATOM 901 O ILE A 734 -12.984 -8.143 0.037 1.00 2.17 O ATOM 902 CB ILE A 734 -10.496 -10.252 1.623 1.00 1.81 C ATOM 903 CG1 ILE A 734 -10.287 -9.363 2.850 1.00 1.91 C ATOM 904 CG2 ILE A 734 -9.210 -10.965 1.237 1.00 2.43 C ATOM 905 CD1 ILE A 734 -9.909 -10.145 4.090 1.00 2.42 C ATOM 0 H ILE A 734 -10.163 -7.605 0.914 1.00 1.30 H new ATOM 0 HA ILE A 734 -10.930 -10.117 -0.436 1.00 1.65 H new ATOM 0 HB ILE A 734 -11.239 -11.002 1.896 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -9.506 -8.634 2.635 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -11.201 -8.802 3.045 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -8.831 -11.521 2.094 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -9.408 -11.654 0.416 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -8.467 -10.231 0.923 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -9.775 -9.459 4.926 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -10.701 -10.856 4.327 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -8.979 -10.685 3.910 1.00 2.42 H new ATOM 917 N LYS A 735 -13.237 -9.801 1.536 1.00 2.29 N ATOM 918 CA LYS A 735 -14.703 -9.951 1.458 1.00 2.61 C ATOM 919 C LYS A 735 -15.249 -9.560 0.071 1.00 2.77 C ATOM 920 O LYS A 735 -14.690 -9.983 -0.941 1.00 2.76 O ATOM 921 CB LYS A 735 -15.358 -9.084 2.543 1.00 2.76 C ATOM 922 CG LYS A 735 -16.622 -9.685 3.152 1.00 3.27 C ATOM 923 CD LYS A 735 -16.317 -10.629 4.314 1.00 3.69 C ATOM 924 CE LYS A 735 -15.501 -11.839 3.884 1.00 3.70 C ATOM 925 NZ LYS A 735 -15.300 -12.795 5.003 1.00 4.16 N ATOM 0 H LYS A 735 -12.818 -10.267 2.341 1.00 2.29 H new ATOM 0 HA LYS A 735 -14.946 -11.001 1.619 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -14.633 -8.910 3.338 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -15.602 -8.111 2.116 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -17.271 -8.882 3.501 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -17.171 -10.227 2.382 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -15.774 -10.085 5.087 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -17.253 -10.966 4.759 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -16.006 -12.344 3.061 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -14.532 -11.509 3.509 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -14.740 -13.606 4.671 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -14.796 -12.320 5.779 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -16.224 -13.129 5.344 1.00 4.16 H new ATOM 939 N ASN A 736 -16.396 -8.892 0.012 1.00 3.04 N ATOM 940 CA ASN A 736 -17.090 -8.635 -1.263 1.00 3.32 C ATOM 941 C ASN A 736 -16.191 -8.004 -2.342 1.00 3.14 C ATOM 942 O ASN A 736 -16.567 -7.964 -3.512 1.00 3.36 O ATOM 943 CB ASN A 736 -18.288 -7.709 -1.035 1.00 3.66 C ATOM 944 CG ASN A 736 -19.393 -8.347 -0.224 1.00 4.18 C ATOM 945 OD1 ASN A 736 -19.385 -8.298 1.009 1.00 4.64 O ATOM 946 ND2 ASN A 736 -20.362 -8.932 -0.907 1.00 4.60 N ATOM 0 H ASN A 736 -16.873 -8.514 0.830 1.00 3.04 H new ATOM 0 HA ASN A 736 -17.407 -9.612 -1.627 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -17.949 -6.806 -0.527 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -18.688 -7.400 -2.001 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -21.143 -9.366 -0.415 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -20.329 -8.949 -1.926 1.00 4.60 H new ATOM 953 N ARG A 737 -15.017 -7.508 -1.971 1.00 2.79 N ATOM 954 CA ARG A 737 -14.091 -6.931 -2.943 1.00 2.61 C ATOM 955 C ARG A 737 -12.910 -7.872 -3.225 1.00 2.47 C ATOM 956 O ARG A 737 -11.809 -7.415 -3.462 1.00 3.05 O ATOM 957 CB ARG A 737 -13.578 -5.546 -2.478 1.00 2.49 C ATOM 958 CG ARG A 737 -13.271 -5.421 -0.990 1.00 2.59 C ATOM 959 CD ARG A 737 -14.494 -5.090 -0.154 1.00 3.00 C ATOM 960 NE ARG A 737 -14.142 -4.891 1.252 1.00 3.54 N ATOM 961 CZ ARG A 737 -15.026 -4.677 2.219 1.00 4.23 C ATOM 962 NH1 ARG A 737 -16.325 -4.624 1.943 1.00 4.51 N ATOM 963 NH2 ARG A 737 -14.604 -4.502 3.465 1.00 4.95 N ATOM 0 H ARG A 737 -14.682 -7.493 -1.008 1.00 2.79 H new ATOM 0 HA ARG A 737 -14.645 -6.797 -3.872 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -12.674 -5.307 -3.038 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -14.324 -4.796 -2.741 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -12.838 -6.356 -0.635 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -12.519 -4.646 -0.844 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -14.969 -4.189 -0.543 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -15.223 -5.896 -0.238 1.00 3.00 H new ATOM 0 HE ARG A 737 -13.154 -4.918 1.505 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -16.648 -4.748 0.983 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -16.999 -4.459 2.691 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -13.606 -4.532 3.675 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -15.277 -4.337 4.213 1.00 4.95 H new ATOM 977 N PHE A 738 -13.158 -9.182 -3.243 1.00 2.24 N ATOM 978 CA PHE A 738 -12.084 -10.193 -3.346 1.00 2.27 C ATOM 979 C PHE A 738 -11.092 -9.948 -4.504 1.00 2.12 C ATOM 980 O PHE A 738 -11.486 -9.705 -5.651 1.00 2.16 O ATOM 981 CB PHE A 738 -12.671 -11.609 -3.422 1.00 2.70 C ATOM 982 CG PHE A 738 -13.813 -11.773 -4.387 1.00 3.11 C ATOM 983 CD1 PHE A 738 -13.574 -12.125 -5.705 1.00 3.38 C ATOM 984 CD2 PHE A 738 -15.119 -11.562 -3.981 1.00 3.68 C ATOM 985 CE1 PHE A 738 -14.616 -12.261 -6.598 1.00 4.26 C ATOM 986 CE2 PHE A 738 -16.166 -11.698 -4.869 1.00 4.52 C ATOM 987 CZ PHE A 738 -15.925 -12.106 -6.157 1.00 4.83 C ATOM 0 H PHE A 738 -14.096 -9.578 -3.188 1.00 2.24 H new ATOM 0 HA PHE A 738 -11.499 -10.092 -2.432 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -11.877 -12.301 -3.702 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -13.011 -11.899 -2.428 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -12.560 -12.295 -6.037 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -15.321 -11.287 -2.956 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -14.416 -12.487 -7.635 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -17.175 -11.483 -4.551 1.00 4.52 H new ATOM 0 HZ PHE A 738 -16.749 -12.306 -6.825 1.00 4.83 H new ATOM 997 N HIS A 739 -9.792 -10.024 -4.152 1.00 2.05 N ATOM 998 CA HIS A 739 -8.655 -9.739 -5.044 1.00 2.04 C ATOM 999 C HIS A 739 -8.664 -8.288 -5.523 1.00 1.03 C ATOM 1000 O HIS A 739 -9.650 -7.593 -5.308 1.00 1.01 O ATOM 1001 CB HIS A 739 -8.624 -10.697 -6.237 1.00 2.97 C ATOM 1002 CG HIS A 739 -8.123 -12.063 -5.884 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -8.437 -13.196 -6.601 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -7.306 -12.469 -4.885 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -7.836 -14.238 -6.058 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -7.143 -13.823 -5.016 1.00 5.71 N ATOM 0 H HIS A 739 -9.499 -10.293 -3.213 1.00 2.05 H new ATOM 0 HA HIS A 739 -7.748 -9.895 -4.460 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -9.628 -10.782 -6.653 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -7.990 -10.275 -7.017 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -6.864 -11.842 -4.125 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -7.901 -15.258 -6.408 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -6.577 -14.414 -4.407 1.00 5.71 H new ATOM 1015 N ARG A 740 -7.518 -7.818 -6.068 1.00 0.94 N ATOM 1016 CA ARG A 740 -7.453 -6.567 -6.861 1.00 1.03 C ATOM 1017 C ARG A 740 -6.020 -6.010 -6.982 1.00 0.82 C ATOM 1018 O ARG A 740 -5.035 -6.641 -6.583 1.00 1.05 O ATOM 1019 CB ARG A 740 -8.364 -5.470 -6.291 1.00 2.21 C ATOM 1020 CG ARG A 740 -9.190 -4.765 -7.357 1.00 3.05 C ATOM 1021 CD ARG A 740 -10.633 -4.587 -6.919 1.00 4.00 C ATOM 1022 NE ARG A 740 -11.259 -5.864 -6.574 1.00 4.84 N ATOM 1023 CZ ARG A 740 -12.533 -6.175 -6.818 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -13.326 -5.318 -7.446 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -13.005 -7.361 -6.452 1.00 6.71 N ATOM 0 H ARG A 740 -6.619 -8.290 -5.972 1.00 0.94 H new ATOM 0 HA ARG A 740 -7.804 -6.845 -7.855 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -9.034 -5.910 -5.553 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -7.753 -4.734 -5.768 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -8.752 -3.791 -7.572 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -9.158 -5.340 -8.282 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -10.672 -3.919 -6.058 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -11.199 -4.109 -7.719 1.00 4.00 H new ATOM 0 HE ARG A 740 -10.680 -6.566 -6.114 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -12.963 -4.413 -7.746 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -14.299 -5.563 -7.629 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -12.394 -8.031 -5.986 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -13.979 -7.602 -6.637 1.00 6.71 H new ATOM 1039 N VAL A 741 -5.976 -4.765 -7.457 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.784 -4.042 -7.890 1.00 0.46 C ATOM 1041 C VAL A 741 -4.866 -2.622 -7.337 1.00 0.43 C ATOM 1042 O VAL A 741 -5.913 -2.223 -6.884 1.00 0.46 O ATOM 1043 CB VAL A 741 -4.686 -3.987 -9.419 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -4.320 -5.353 -9.973 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -5.984 -3.474 -10.031 1.00 1.06 C ATOM 0 H VAL A 741 -6.822 -4.203 -7.555 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.899 -4.559 -7.519 1.00 0.46 H new ATOM 0 HB VAL A 741 -3.896 -3.286 -9.689 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -4.254 -5.299 -11.060 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -3.358 -5.665 -9.566 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -5.085 -6.077 -9.691 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -5.888 -3.445 -11.116 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -6.803 -4.139 -9.757 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -6.191 -2.471 -9.658 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.770 -1.885 -7.262 1.00 0.42 N ATOM 1056 CA PHE A 742 -3.852 -0.526 -6.739 1.00 0.42 C ATOM 1057 C PHE A 742 -4.543 0.374 -7.750 1.00 0.45 C ATOM 1058 O PHE A 742 -4.000 0.663 -8.819 1.00 0.55 O ATOM 1059 CB PHE A 742 -2.467 0.023 -6.410 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.479 1.049 -5.317 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -1.966 0.723 -4.081 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -3.002 2.321 -5.513 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -1.967 1.640 -3.049 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -3.006 3.243 -4.486 1.00 0.75 C ATOM 1065 CZ PHE A 742 -2.487 2.903 -3.253 1.00 1.13 C ATOM 0 H PHE A 742 -2.839 -2.189 -7.546 1.00 0.42 H new ATOM 0 HA PHE A 742 -4.433 -0.549 -5.817 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -1.817 -0.802 -6.117 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -2.036 0.465 -7.309 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -1.557 -0.263 -3.917 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -3.409 2.590 -6.477 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -1.562 1.370 -2.085 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.415 4.230 -4.647 1.00 0.75 H new ATOM 0 HZ PHE A 742 -2.488 3.624 -2.449 1.00 1.13 H new ATOM 1075 N LEU A 743 -5.747 0.797 -7.409 1.00 0.48 N ATOM 1076 CA LEU A 743 -6.543 1.623 -8.295 1.00 0.61 C ATOM 1077 C LEU A 743 -6.281 3.108 -8.039 1.00 0.55 C ATOM 1078 O LEU A 743 -5.832 3.486 -6.955 1.00 0.48 O ATOM 1079 CB LEU A 743 -8.045 1.339 -8.124 1.00 0.78 C ATOM 1080 CG LEU A 743 -8.467 -0.133 -8.116 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -8.473 -0.682 -6.698 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -9.836 -0.295 -8.753 1.00 1.67 C ATOM 0 H LEU A 743 -6.196 0.580 -6.519 1.00 0.48 H new ATOM 0 HA LEU A 743 -6.250 1.375 -9.315 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -8.373 1.793 -7.189 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -8.581 1.843 -8.928 1.00 0.78 H new ATOM 0 HG LEU A 743 -7.743 -0.701 -8.700 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -8.776 -1.729 -6.714 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -7.473 -0.600 -6.272 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -9.175 -0.111 -6.090 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -10.121 -1.347 -8.740 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -10.569 0.287 -8.194 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -9.802 0.058 -9.784 1.00 1.67 H new ATOM 1094 N PRO A 744 -6.538 3.961 -9.047 1.00 0.66 N ATOM 1095 CA PRO A 744 -6.583 5.426 -8.884 1.00 0.67 C ATOM 1096 C PRO A 744 -7.575 5.850 -7.796 1.00 0.62 C ATOM 1097 O PRO A 744 -8.363 5.026 -7.331 1.00 0.64 O ATOM 1098 CB PRO A 744 -7.031 5.940 -10.260 1.00 0.80 C ATOM 1099 CG PRO A 744 -7.553 4.742 -10.980 1.00 1.06 C ATOM 1100 CD PRO A 744 -6.786 3.572 -10.442 1.00 0.83 C ATOM 0 HA PRO A 744 -5.621 5.830 -8.570 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -7.801 6.706 -10.162 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -6.199 6.392 -10.801 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -8.623 4.619 -10.810 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -7.411 4.841 -12.056 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -7.359 2.647 -10.509 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -5.857 3.411 -10.989 1.00 0.83 H new ATOM 1108 N SER A 745 -7.507 7.120 -7.382 1.00 0.64 N ATOM 1109 CA SER A 745 -8.333 7.659 -6.288 1.00 0.67 C ATOM 1110 C SER A 745 -9.772 7.128 -6.320 1.00 0.73 C ATOM 1111 O SER A 745 -10.586 7.534 -7.151 1.00 0.78 O ATOM 1112 CB SER A 745 -8.322 9.189 -6.354 1.00 0.74 C ATOM 1113 OG SER A 745 -8.564 9.653 -7.675 1.00 1.20 O ATOM 0 H SER A 745 -6.877 7.807 -7.795 1.00 0.64 H new ATOM 0 HA SER A 745 -7.901 7.324 -5.345 1.00 0.67 H new ATOM 0 HB2 SER A 745 -9.081 9.589 -5.682 1.00 0.74 H new ATOM 0 HB3 SER A 745 -7.359 9.563 -6.006 1.00 0.74 H new ATOM 0 HG SER A 745 -9.298 9.140 -8.073 1.00 1.20 H new ATOM 1119 N HIS A 746 -10.073 6.208 -5.401 1.00 0.81 N ATOM 1120 CA HIS A 746 -11.348 5.499 -5.404 1.00 0.91 C ATOM 1121 C HIS A 746 -11.918 5.347 -3.997 1.00 0.96 C ATOM 1122 O HIS A 746 -11.193 5.410 -3.015 1.00 1.15 O ATOM 1123 CB HIS A 746 -11.169 4.121 -6.043 1.00 1.10 C ATOM 1124 CG HIS A 746 -11.477 4.100 -7.513 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -12.354 3.209 -8.084 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -11.026 4.874 -8.528 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -12.432 3.436 -9.382 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -11.634 4.443 -9.680 1.00 3.89 N ATOM 0 H HIS A 746 -9.446 5.938 -4.643 1.00 0.81 H new ATOM 0 HA HIS A 746 -12.056 6.089 -5.985 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -10.142 3.788 -5.890 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -11.815 3.406 -5.534 1.00 1.10 H new ATOM 0 HD2 HIS A 746 -10.316 5.684 -8.446 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -13.046 2.889 -10.082 1.00 3.88 H new ATOM 0 HE2 HIS A 746 -11.493 4.836 -10.611 1.00 3.89 H new ATOM 1137 N SER A 747 -13.221 5.095 -3.947 1.00 0.93 N ATOM 1138 CA SER A 747 -14.036 5.067 -2.722 1.00 1.06 C ATOM 1139 C SER A 747 -13.587 4.059 -1.646 1.00 1.39 C ATOM 1140 O SER A 747 -14.204 3.980 -0.585 1.00 1.67 O ATOM 1141 CB SER A 747 -15.489 4.806 -3.112 1.00 1.10 C ATOM 1142 OG SER A 747 -15.577 3.803 -4.111 1.00 1.34 O ATOM 0 H SER A 747 -13.766 4.896 -4.786 1.00 0.93 H new ATOM 0 HA SER A 747 -13.907 6.041 -2.251 1.00 1.06 H new ATOM 0 HB2 SER A 747 -16.055 4.499 -2.233 1.00 1.10 H new ATOM 0 HB3 SER A 747 -15.942 5.728 -3.477 1.00 1.10 H new ATOM 0 HG SER A 747 -16.517 3.653 -4.342 1.00 1.34 H new ATOM 1148 N LEU A 748 -12.540 3.292 -1.920 1.00 1.54 N ATOM 1149 CA LEU A 748 -12.151 2.140 -1.088 1.00 1.97 C ATOM 1150 C LEU A 748 -11.645 2.532 0.325 1.00 1.72 C ATOM 1151 O LEU A 748 -11.105 1.693 1.045 1.00 2.07 O ATOM 1152 CB LEU A 748 -11.069 1.339 -1.827 1.00 2.49 C ATOM 1153 CG LEU A 748 -10.725 -0.030 -1.229 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -11.931 -0.954 -1.276 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -9.545 -0.644 -1.972 1.00 3.52 C ATOM 0 H LEU A 748 -11.930 3.444 -2.724 1.00 1.54 H new ATOM 0 HA LEU A 748 -13.047 1.540 -0.930 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -11.392 1.193 -2.858 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -10.159 1.939 -1.860 1.00 2.49 H new ATOM 0 HG LEU A 748 -10.445 0.106 -0.184 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -11.666 -1.920 -0.847 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -12.748 -0.515 -0.704 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -12.245 -1.090 -2.311 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -9.309 -1.616 -1.539 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -9.802 -0.768 -3.024 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -8.679 0.012 -1.885 1.00 3.52 H new ATOM 1167 N ASP A 749 -11.823 3.787 0.727 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.380 4.249 2.052 1.00 0.97 C ATOM 1169 C ASP A 749 -12.379 3.890 3.149 1.00 0.91 C ATOM 1170 O ASP A 749 -12.442 4.556 4.183 1.00 1.13 O ATOM 1171 CB ASP A 749 -11.160 5.759 2.065 1.00 0.85 C ATOM 1172 CG ASP A 749 -12.443 6.555 1.877 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -12.949 6.621 0.734 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -12.934 7.142 2.862 1.00 1.85 O ATOM 0 H ASP A 749 -12.270 4.507 0.159 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.438 3.738 2.253 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -10.699 6.044 3.011 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -10.457 6.024 1.275 1.00 0.85 H new ATOM 1179 N THR A 750 -13.130 2.826 2.951 1.00 1.03 N ATOM 1180 CA THR A 750 -14.130 2.426 3.921 1.00 1.16 C ATOM 1181 C THR A 750 -13.460 1.737 5.103 1.00 1.58 C ATOM 1182 O THR A 750 -12.377 1.151 4.965 1.00 2.13 O ATOM 1183 CB THR A 750 -15.170 1.492 3.274 1.00 1.60 C ATOM 1184 OG1 THR A 750 -14.508 0.516 2.458 1.00 2.42 O ATOM 1185 CG2 THR A 750 -16.155 2.281 2.425 1.00 2.13 C ATOM 0 H THR A 750 -13.068 2.224 2.130 1.00 1.03 H new ATOM 0 HA THR A 750 -14.647 3.317 4.278 1.00 1.16 H new ATOM 0 HB THR A 750 -15.721 0.991 4.070 1.00 1.60 H new ATOM 0 HG1 THR A 750 -15.174 -0.076 2.051 1.00 2.42 H new ATOM 0 HG21 THR A 750 -16.879 1.599 1.979 1.00 2.13 H new ATOM 0 HG22 THR A 750 -16.676 3.005 3.051 1.00 2.13 H new ATOM 0 HG23 THR A 750 -15.616 2.805 1.636 1.00 2.13 H new ATOM 1193 N VAL A 751 -14.088 1.837 6.267 1.00 1.82 N ATOM 1194 CA VAL A 751 -13.486 1.364 7.499 1.00 2.44 C ATOM 1195 C VAL A 751 -13.444 -0.154 7.522 1.00 2.14 C ATOM 1196 O VAL A 751 -14.426 -0.817 7.861 1.00 2.27 O ATOM 1197 CB VAL A 751 -14.248 1.886 8.736 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -13.552 1.459 10.017 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -14.383 3.401 8.679 1.00 4.17 C ATOM 0 H VAL A 751 -15.017 2.243 6.380 1.00 1.82 H new ATOM 0 HA VAL A 751 -12.468 1.751 7.537 1.00 2.44 H new ATOM 0 HB VAL A 751 -15.247 1.451 8.731 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -14.106 1.838 10.876 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -13.511 0.371 10.063 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -12.539 1.862 10.032 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -14.923 3.752 9.559 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -13.392 3.854 8.657 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -14.931 3.684 7.780 1.00 4.17 H new ATOM 1209 N SER A 752 -12.291 -0.688 7.167 1.00 2.23 N ATOM 1210 CA SER A 752 -12.088 -2.116 7.090 1.00 2.12 C ATOM 1211 C SER A 752 -10.605 -2.426 7.255 1.00 2.30 C ATOM 1212 O SER A 752 -9.829 -2.355 6.301 1.00 2.26 O ATOM 1213 CB SER A 752 -12.613 -2.648 5.752 1.00 2.47 C ATOM 1214 OG SER A 752 -12.418 -4.048 5.628 1.00 2.95 O ATOM 0 H SER A 752 -11.467 -0.138 6.923 1.00 2.23 H new ATOM 0 HA SER A 752 -12.639 -2.609 7.891 1.00 2.12 H new ATOM 0 HB2 SER A 752 -13.675 -2.420 5.662 1.00 2.47 H new ATOM 0 HB3 SER A 752 -12.106 -2.137 4.934 1.00 2.47 H new ATOM 0 HG SER A 752 -12.226 -4.270 4.693 1.00 2.95 H new ATOM 1220 N PRO A 753 -10.184 -2.720 8.490 1.00 2.99 N ATOM 1221 CA PRO A 753 -8.795 -3.071 8.802 1.00 3.72 C ATOM 1222 C PRO A 753 -8.398 -4.428 8.232 1.00 3.48 C ATOM 1223 O PRO A 753 -7.224 -4.789 8.223 1.00 3.96 O ATOM 1224 CB PRO A 753 -8.763 -3.115 10.338 1.00 4.69 C ATOM 1225 CG PRO A 753 -10.031 -2.468 10.785 1.00 4.49 C ATOM 1226 CD PRO A 753 -11.024 -2.726 9.695 1.00 3.44 C ATOM 0 HA PRO A 753 -8.095 -2.357 8.368 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -8.698 -4.141 10.699 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -7.894 -2.585 10.727 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -10.372 -2.887 11.732 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -9.891 -1.398 10.942 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -11.534 -3.680 9.829 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -11.794 -1.955 9.657 1.00 3.44 H new ATOM 1234 N SER A 754 -9.380 -5.182 7.763 1.00 2.99 N ATOM 1235 CA SER A 754 -9.140 -6.550 7.347 1.00 3.13 C ATOM 1236 C SER A 754 -8.936 -6.686 5.840 1.00 2.22 C ATOM 1237 O SER A 754 -8.635 -7.779 5.368 1.00 2.49 O ATOM 1238 CB SER A 754 -10.293 -7.442 7.810 1.00 3.71 C ATOM 1239 OG SER A 754 -10.457 -7.366 9.221 1.00 4.37 O ATOM 0 H SER A 754 -10.346 -4.869 7.662 1.00 2.99 H new ATOM 0 HA SER A 754 -8.210 -6.871 7.817 1.00 3.13 H new ATOM 0 HB2 SER A 754 -11.215 -7.137 7.315 1.00 3.71 H new ATOM 0 HB3 SER A 754 -10.100 -8.474 7.517 1.00 3.71 H new ATOM 0 HG SER A 754 -11.200 -7.943 9.495 1.00 4.37 H new ATOM 1245 N ASP A 755 -9.080 -5.595 5.088 1.00 1.48 N ATOM 1246 CA ASP A 755 -8.865 -5.643 3.634 1.00 0.96 C ATOM 1247 C ASP A 755 -7.464 -6.121 3.318 1.00 1.01 C ATOM 1248 O ASP A 755 -6.583 -6.163 4.179 1.00 1.88 O ATOM 1249 CB ASP A 755 -9.068 -4.289 2.967 1.00 1.69 C ATOM 1250 CG ASP A 755 -10.447 -3.701 3.201 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -11.443 -4.463 3.204 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -10.543 -2.472 3.377 1.00 2.95 O ATOM 0 H ASP A 755 -9.341 -4.678 5.450 1.00 1.48 H new ATOM 0 HA ASP A 755 -9.607 -6.339 3.241 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -8.317 -3.593 3.340 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -8.903 -4.392 1.895 1.00 1.69 H new ATOM 1257 N THR A 756 -7.268 -6.464 2.073 1.00 0.93 N ATOM 1258 CA THR A 756 -6.058 -7.096 1.637 1.00 0.99 C ATOM 1259 C THR A 756 -4.975 -6.112 1.190 1.00 0.78 C ATOM 1260 O THR A 756 -5.174 -4.901 1.090 1.00 0.89 O ATOM 1261 CB THR A 756 -6.309 -8.172 0.589 1.00 1.43 C ATOM 1262 OG1 THR A 756 -7.667 -8.585 0.651 1.00 1.93 O ATOM 1263 CG2 THR A 756 -5.412 -9.356 0.876 1.00 2.05 C ATOM 0 H THR A 756 -7.950 -6.310 1.330 1.00 0.93 H new ATOM 0 HA THR A 756 -5.663 -7.591 2.524 1.00 0.99 H new ATOM 0 HB THR A 756 -6.096 -7.777 -0.404 1.00 1.43 H new ATOM 0 HG1 THR A 756 -7.859 -9.192 -0.094 1.00 1.93 H new ATOM 0 HG21 THR A 756 -5.584 -10.132 0.131 1.00 2.05 H new ATOM 0 HG22 THR A 756 -4.369 -9.041 0.837 1.00 2.05 H new ATOM 0 HG23 THR A 756 -5.635 -9.749 1.868 1.00 2.05 H new ATOM 1271 N LEU A 757 -3.826 -6.698 0.970 1.00 0.68 N ATOM 1272 CA LEU A 757 -2.522 -6.067 0.943 1.00 0.58 C ATOM 1273 C LEU A 757 -2.150 -5.462 -0.391 1.00 0.44 C ATOM 1274 O LEU A 757 -2.737 -5.772 -1.428 1.00 0.46 O ATOM 1275 CB LEU A 757 -1.499 -7.154 1.192 1.00 0.70 C ATOM 1276 CG LEU A 757 -1.242 -7.547 2.652 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -2.507 -7.512 3.478 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -0.631 -8.925 2.706 1.00 1.66 C ATOM 0 H LEU A 757 -3.768 -7.701 0.792 1.00 0.68 H new ATOM 0 HA LEU A 757 -2.545 -5.268 1.684 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -1.815 -8.046 0.652 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -0.553 -6.835 0.755 1.00 0.70 H new ATOM 0 HG LEU A 757 -0.552 -6.818 3.077 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -2.279 -7.797 4.505 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -2.922 -6.504 3.465 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -3.233 -8.209 3.061 1.00 1.53 H new ATOM 0 HD21 LEU A 757 -0.449 -9.202 3.744 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -1.314 -9.644 2.253 1.00 1.66 H new ATOM 0 HD23 LEU A 757 0.312 -8.926 2.160 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.160 -4.582 -0.336 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.384 -4.307 -1.499 1.00 0.40 C ATOM 1292 C LEU A 758 0.942 -4.963 -1.340 1.00 0.35 C ATOM 1293 O LEU A 758 1.464 -5.142 -0.224 1.00 0.40 O ATOM 1294 CB LEU A 758 -0.218 -2.799 -1.850 1.00 0.54 C ATOM 1295 CG LEU A 758 0.647 -1.894 -0.974 1.00 0.60 C ATOM 1296 CD1 LEU A 758 2.108 -2.295 -1.016 1.00 1.19 C ATOM 1297 CD2 LEU A 758 0.524 -0.463 -1.464 1.00 1.13 C ATOM 0 H LEU A 758 -0.891 -4.061 0.498 1.00 0.39 H new ATOM 0 HA LEU A 758 -0.935 -4.714 -2.347 1.00 0.40 H new ATOM 0 HB2 LEU A 758 0.182 -2.746 -2.863 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -1.216 -2.362 -1.878 1.00 0.54 H new ATOM 0 HG LEU A 758 0.295 -1.990 0.053 1.00 0.60 H new ATOM 0 HD11 LEU A 758 2.687 -1.626 -0.380 1.00 1.19 H new ATOM 0 HD12 LEU A 758 2.215 -3.319 -0.658 1.00 1.19 H new ATOM 0 HD13 LEU A 758 2.474 -2.229 -2.041 1.00 1.19 H new ATOM 0 HD21 LEU A 758 1.139 0.188 -0.843 1.00 1.13 H new ATOM 0 HD22 LEU A 758 0.861 -0.402 -2.499 1.00 1.13 H new ATOM 0 HD23 LEU A 758 -0.517 -0.146 -1.403 1.00 1.13 H new ATOM 1309 N CYS A 759 1.419 -5.412 -2.456 1.00 0.35 N ATOM 1310 CA CYS A 759 2.748 -5.964 -2.531 1.00 0.36 C ATOM 1311 C CYS A 759 3.439 -5.380 -3.735 1.00 0.36 C ATOM 1312 O CYS A 759 3.115 -5.696 -4.881 1.00 0.40 O ATOM 1313 CB CYS A 759 2.740 -7.498 -2.554 1.00 0.46 C ATOM 1314 SG CYS A 759 1.827 -8.257 -3.911 1.00 1.55 S ATOM 0 H CYS A 759 0.909 -5.410 -3.339 1.00 0.35 H new ATOM 0 HA CYS A 759 3.301 -5.694 -1.631 1.00 0.36 H new ATOM 0 HB2 CYS A 759 3.772 -7.847 -2.595 1.00 0.46 H new ATOM 0 HB3 CYS A 759 2.320 -7.855 -1.614 1.00 0.46 H new ATOM 0 HG CYS A 759 1.901 -9.551 -3.814 1.00 1.55 H new ATOM 1320 N PHE A 760 4.367 -4.506 -3.478 1.00 0.36 N ATOM 1321 CA PHE A 760 5.097 -3.870 -4.515 1.00 0.41 C ATOM 1322 C PHE A 760 6.519 -4.305 -4.484 1.00 0.36 C ATOM 1323 O PHE A 760 7.050 -4.743 -3.456 1.00 0.50 O ATOM 1324 CB PHE A 760 5.076 -2.370 -4.343 1.00 0.68 C ATOM 1325 CG PHE A 760 5.743 -1.914 -3.082 1.00 1.79 C ATOM 1326 CD1 PHE A 760 5.156 -2.163 -1.869 1.00 2.53 C ATOM 1327 CD2 PHE A 760 6.946 -1.228 -3.116 1.00 2.16 C ATOM 1328 CE1 PHE A 760 5.742 -1.732 -0.698 1.00 3.60 C ATOM 1329 CE2 PHE A 760 7.542 -0.792 -1.954 1.00 3.23 C ATOM 1330 CZ PHE A 760 6.940 -1.044 -0.742 1.00 3.94 C ATOM 0 H PHE A 760 4.634 -4.218 -2.537 1.00 0.36 H new ATOM 0 HA PHE A 760 4.630 -4.146 -5.460 1.00 0.41 H new ATOM 0 HB2 PHE A 760 5.570 -1.905 -5.197 1.00 0.68 H new ATOM 0 HB3 PHE A 760 4.042 -2.024 -4.346 1.00 0.68 H new ATOM 0 HD1 PHE A 760 4.222 -2.704 -1.830 1.00 2.53 H new ATOM 0 HD2 PHE A 760 7.422 -1.033 -4.066 1.00 2.16 H new ATOM 0 HE1 PHE A 760 5.266 -1.931 0.251 1.00 3.60 H new ATOM 0 HE2 PHE A 760 8.478 -0.255 -1.993 1.00 3.23 H new ATOM 0 HZ PHE A 760 7.403 -0.705 0.173 1.00 3.94 H new ATOM 1340 N GLU A 761 7.066 -4.314 -5.644 1.00 0.35 N ATOM 1341 CA GLU A 761 8.477 -4.182 -5.805 1.00 0.40 C ATOM 1342 C GLU A 761 8.748 -3.059 -6.805 1.00 0.61 C ATOM 1343 O GLU A 761 8.363 -3.149 -7.972 1.00 0.79 O ATOM 1344 CB GLU A 761 9.134 -5.510 -6.197 1.00 0.52 C ATOM 1345 CG GLU A 761 8.776 -6.016 -7.583 1.00 1.26 C ATOM 1346 CD GLU A 761 9.645 -7.173 -8.006 1.00 1.49 C ATOM 1347 OE1 GLU A 761 10.699 -6.937 -8.625 1.00 1.96 O ATOM 1348 OE2 GLU A 761 9.274 -8.332 -7.726 1.00 1.88 O ATOM 0 H GLU A 761 6.549 -4.414 -6.518 1.00 0.35 H new ATOM 0 HA GLU A 761 8.935 -3.914 -4.853 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.216 -5.395 -6.136 1.00 0.52 H new ATOM 0 HB3 GLU A 761 8.853 -6.268 -5.466 1.00 0.52 H new ATOM 0 HG2 GLU A 761 7.731 -6.324 -7.597 1.00 1.26 H new ATOM 0 HG3 GLU A 761 8.879 -5.204 -8.303 1.00 1.26 H new ATOM 1355 N LEU A 762 9.344 -1.985 -6.353 1.00 0.89 N ATOM 1356 CA LEU A 762 9.977 -1.051 -7.264 1.00 1.28 C ATOM 1357 C LEU A 762 11.372 -0.771 -6.730 1.00 0.79 C ATOM 1358 O LEU A 762 11.583 -0.814 -5.517 1.00 0.89 O ATOM 1359 CB LEU A 762 9.141 0.230 -7.369 1.00 2.07 C ATOM 1360 CG LEU A 762 9.255 1.027 -8.679 1.00 3.10 C ATOM 1361 CD1 LEU A 762 10.574 1.774 -8.765 1.00 3.72 C ATOM 1362 CD2 LEU A 762 9.082 0.107 -9.876 1.00 3.94 C ATOM 0 H LEU A 762 9.407 -1.732 -5.367 1.00 0.89 H new ATOM 0 HA LEU A 762 10.047 -1.466 -8.270 1.00 1.28 H new ATOM 0 HB2 LEU A 762 8.094 -0.035 -7.223 1.00 2.07 H new ATOM 0 HB3 LEU A 762 9.422 0.887 -6.546 1.00 2.07 H new ATOM 0 HG LEU A 762 8.456 1.768 -8.688 1.00 3.10 H new ATOM 0 HD11 LEU A 762 10.619 2.326 -9.704 1.00 3.72 H new ATOM 0 HD12 LEU A 762 10.653 2.471 -7.930 1.00 3.72 H new ATOM 0 HD13 LEU A 762 11.399 1.062 -8.722 1.00 3.72 H new ATOM 0 HD21 LEU A 762 9.165 0.687 -10.795 1.00 3.94 H new ATOM 0 HD22 LEU A 762 9.856 -0.661 -9.860 1.00 3.94 H new ATOM 0 HD23 LEU A 762 8.101 -0.366 -9.833 1.00 3.94 H new ATOM 1374 N LEU A 763 12.338 -0.533 -7.599 1.00 1.06 N ATOM 1375 CA LEU A 763 13.661 -0.245 -7.116 1.00 0.98 C ATOM 1376 C LEU A 763 13.865 1.251 -7.098 1.00 0.79 C ATOM 1377 O LEU A 763 13.903 1.900 -8.145 1.00 1.44 O ATOM 1378 CB LEU A 763 14.716 -0.917 -8.005 1.00 1.81 C ATOM 1379 CG LEU A 763 16.171 -0.566 -7.680 1.00 2.42 C ATOM 1380 CD1 LEU A 763 16.538 -1.033 -6.280 1.00 2.97 C ATOM 1381 CD2 LEU A 763 17.108 -1.172 -8.715 1.00 3.32 C ATOM 0 H LEU A 763 12.230 -0.534 -8.613 1.00 1.06 H new ATOM 0 HA LEU A 763 13.770 -0.639 -6.106 1.00 0.98 H new ATOM 0 HB2 LEU A 763 14.595 -1.998 -7.929 1.00 1.81 H new ATOM 0 HB3 LEU A 763 14.518 -0.646 -9.042 1.00 1.81 H new ATOM 0 HG LEU A 763 16.279 0.518 -7.713 1.00 2.42 H new ATOM 0 HD11 LEU A 763 17.576 -0.773 -6.070 1.00 2.97 H new ATOM 0 HD12 LEU A 763 15.888 -0.547 -5.552 1.00 2.97 H new ATOM 0 HD13 LEU A 763 16.414 -2.114 -6.213 1.00 2.97 H new ATOM 0 HD21 LEU A 763 18.138 -0.913 -8.469 1.00 3.32 H new ATOM 0 HD22 LEU A 763 16.997 -2.256 -8.716 1.00 3.32 H new ATOM 0 HD23 LEU A 763 16.861 -0.781 -9.702 1.00 3.32 H new ATOM 1393 N SER A 764 14.020 1.770 -5.900 1.00 0.58 N ATOM 1394 CA SER A 764 14.373 3.151 -5.675 1.00 0.61 C ATOM 1395 C SER A 764 14.798 3.304 -4.222 1.00 0.71 C ATOM 1396 O SER A 764 14.689 2.355 -3.441 1.00 1.17 O ATOM 1397 CB SER A 764 13.195 4.087 -5.981 1.00 1.02 C ATOM 1398 OG SER A 764 12.947 4.181 -7.374 1.00 1.67 O ATOM 0 H SER A 764 13.902 1.233 -5.041 1.00 0.58 H new ATOM 0 HA SER A 764 15.189 3.426 -6.343 1.00 0.61 H new ATOM 0 HB2 SER A 764 12.300 3.723 -5.476 1.00 1.02 H new ATOM 0 HB3 SER A 764 13.405 5.079 -5.581 1.00 1.02 H new ATOM 0 HG SER A 764 13.548 3.575 -7.855 1.00 1.67 H new ATOM 1404 N SER A 765 15.292 4.472 -3.863 1.00 0.99 N ATOM 1405 CA SER A 765 15.647 4.759 -2.485 1.00 1.18 C ATOM 1406 C SER A 765 15.470 6.242 -2.210 1.00 1.13 C ATOM 1407 O SER A 765 15.410 7.044 -3.145 1.00 1.21 O ATOM 1408 CB SER A 765 17.091 4.328 -2.203 1.00 1.51 C ATOM 1409 OG SER A 765 17.271 2.946 -2.466 1.00 2.10 O ATOM 0 H SER A 765 15.458 5.243 -4.510 1.00 0.99 H new ATOM 0 HA SER A 765 14.989 4.195 -1.823 1.00 1.18 H new ATOM 0 HB2 SER A 765 17.775 4.911 -2.820 1.00 1.51 H new ATOM 0 HB3 SER A 765 17.341 4.539 -1.163 1.00 1.51 H new ATOM 0 HG SER A 765 18.200 2.696 -2.280 1.00 2.10 H new ATOM 1415 N GLU A 766 15.348 6.604 -0.945 1.00 1.43 N ATOM 1416 CA GLU A 766 15.240 8.001 -0.580 1.00 1.74 C ATOM 1417 C GLU A 766 16.632 8.590 -0.393 1.00 2.11 C ATOM 1418 O GLU A 766 17.198 8.457 0.710 1.00 2.79 O ATOM 1419 CB GLU A 766 14.414 8.179 0.693 1.00 2.48 C ATOM 1420 CG GLU A 766 14.125 9.634 1.011 1.00 3.22 C ATOM 1421 CD GLU A 766 13.420 9.824 2.334 1.00 4.06 C ATOM 1422 OE1 GLU A 766 12.175 9.823 2.351 1.00 4.70 O ATOM 1423 OE2 GLU A 766 14.114 10.001 3.356 1.00 4.47 O ATOM 1424 OXT GLU A 766 17.163 9.169 -1.360 1.00 2.51 O ATOM 0 H GLU A 766 15.322 5.953 -0.160 1.00 1.43 H new ATOM 0 HA GLU A 766 14.728 8.529 -1.385 1.00 1.74 H new ATOM 0 HB2 GLU A 766 13.472 7.642 0.587 1.00 2.48 H new ATOM 0 HB3 GLU A 766 14.945 7.728 1.531 1.00 2.48 H new ATOM 0 HG2 GLU A 766 15.062 10.190 1.023 1.00 3.22 H new ATOM 0 HG3 GLU A 766 13.512 10.059 0.216 1.00 3.22 H new