USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 735 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.996) USER MOD Set 1.2: A 752 SER OG : rot -130:sc=-0.00592 USER MOD Set 2.1: A 709 THR OG1 : rot 170:sc= 0.712 USER MOD Set 2.2: A 711 SER OG : rot 180:sc= 0 USER MOD Single : A 679 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0498) USER MOD Single : A 680 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 681 LYS NZ :NH3+ 154:sc= 0.622 (180deg=-0.118) USER MOD Single : A 687 TYR OH : rot -130:sc= -8.88! USER MOD Single : A 693 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 694 SER OG : rot 180:sc= -0.136 USER MOD Single : A 695 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.14) USER MOD Single : A 698 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 704 SER OG : rot 180:sc= -1.81 USER MOD Single : A 705 LYS NZ :NH3+ -162:sc= 2.04 (180deg=0.577) USER MOD Single : A 707 ASN : amide:sc= -0.0456 K(o=-0.046,f=-1.2!) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 73:sc= 0.0575 USER MOD Single : A 718 SER OG : rot -10:sc= 0.426 USER MOD Single : A 719 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.32) USER MOD Single : A 720 SER OG : rot 92:sc= 1.28 USER MOD Single : A 722 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=-0.0049) USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 727 ASN : amide:sc= -13.8! C(o=-14!,f=-20!) USER MOD Single : A 736 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.079) USER MOD Single : A 739 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 745 SER OG : rot 180:sc= 0 USER MOD Single : A 746 HIS : no HE2:sc= -1.49! X(o=-1.5!,f=-1.4) USER MOD Single : A 747 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 750 THR OG1 : rot 180:sc= 0 USER MOD Single : A 754 SER OG : rot 180:sc= 0 USER MOD Single : A 756 THR OG1 : rot 142:sc= -3.08! USER MOD Single : A 759 CYS SG : rot -77:sc= 0.348! USER MOD Single : A 764 SER OG : rot 180:sc= 0.0114 USER MOD Single : A 765 SER OG : rot -72:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -10.338 8.526 7.131 1.00 0.86 N ATOM 2 CA LYS A 679 -8.866 8.481 7.032 1.00 0.72 C ATOM 3 C LYS A 679 -8.312 7.286 7.809 1.00 0.66 C ATOM 4 O LYS A 679 -7.107 7.033 7.793 1.00 1.02 O ATOM 5 CB LYS A 679 -8.247 9.786 7.548 1.00 0.92 C ATOM 6 CG LYS A 679 -6.779 9.954 7.174 1.00 0.97 C ATOM 7 CD LYS A 679 -6.594 9.962 5.665 1.00 1.12 C ATOM 8 CE LYS A 679 -5.125 9.988 5.265 1.00 1.43 C ATOM 9 NZ LYS A 679 -4.420 11.192 5.777 1.00 2.26 N ATOM 0 HA LYS A 679 -8.599 8.366 5.981 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -8.813 10.629 7.151 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -8.343 9.820 8.633 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -6.398 10.885 7.595 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -6.195 9.144 7.610 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -7.069 9.079 5.238 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -7.099 10.831 5.243 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -4.632 9.093 5.644 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -5.047 9.959 4.178 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -3.447 11.208 5.409 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -4.922 12.047 5.465 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -4.396 11.165 6.816 1.00 2.26 H new ATOM 25 N GLN A 680 -9.191 6.524 8.460 1.00 0.54 N ATOM 26 CA GLN A 680 -8.735 5.421 9.284 1.00 0.71 C ATOM 27 C GLN A 680 -9.016 4.084 8.619 1.00 0.50 C ATOM 28 O GLN A 680 -10.163 3.678 8.434 1.00 0.78 O ATOM 29 CB GLN A 680 -9.373 5.465 10.677 1.00 1.24 C ATOM 30 CG GLN A 680 -10.893 5.537 10.670 1.00 1.84 C ATOM 31 CD GLN A 680 -11.485 5.488 12.065 1.00 2.28 C ATOM 32 OE1 GLN A 680 -10.863 5.924 13.033 1.00 2.61 O ATOM 33 NE2 GLN A 680 -12.692 4.959 12.178 1.00 2.98 N ATOM 0 H GLN A 680 -10.203 6.651 8.430 1.00 0.54 H new ATOM 0 HA GLN A 680 -7.656 5.528 9.398 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -9.066 4.579 11.232 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -8.983 6.329 11.215 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -11.207 6.457 10.178 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -11.290 4.710 10.082 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -13.175 4.609 11.351 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -13.140 4.902 13.093 1.00 2.98 H new ATOM 42 N LYS A 681 -7.942 3.422 8.255 1.00 0.53 N ATOM 43 CA LYS A 681 -7.974 2.070 7.742 1.00 0.44 C ATOM 44 C LYS A 681 -6.649 1.406 8.066 1.00 0.37 C ATOM 45 O LYS A 681 -5.622 1.788 7.512 1.00 0.55 O ATOM 46 CB LYS A 681 -8.135 2.086 6.230 1.00 0.63 C ATOM 47 CG LYS A 681 -9.542 2.243 5.706 1.00 0.67 C ATOM 48 CD LYS A 681 -9.545 1.988 4.218 1.00 0.70 C ATOM 49 CE LYS A 681 -9.216 0.536 3.905 1.00 0.87 C ATOM 50 NZ LYS A 681 -9.246 0.261 2.447 1.00 1.44 N ATOM 0 H LYS A 681 -7.002 3.815 8.308 1.00 0.53 H new ATOM 0 HA LYS A 681 -8.809 1.533 8.193 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -7.529 2.899 5.831 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -7.724 1.158 5.833 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -10.211 1.544 6.209 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -9.912 3.246 5.917 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -10.523 2.238 3.806 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -8.818 2.640 3.734 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -8.229 0.295 4.299 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -9.929 -0.115 4.411 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -8.623 -0.544 2.233 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -10.218 0.034 2.157 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -8.917 1.101 1.929 1.00 1.44 H new ATOM 64 N VAL A 682 -6.639 0.431 8.953 1.00 0.33 N ATOM 65 CA VAL A 682 -5.381 -0.200 9.299 1.00 0.35 C ATOM 66 C VAL A 682 -5.084 -1.351 8.344 1.00 0.37 C ATOM 67 O VAL A 682 -5.650 -2.437 8.443 1.00 0.46 O ATOM 68 CB VAL A 682 -5.393 -0.682 10.772 1.00 0.49 C ATOM 69 CG1 VAL A 682 -6.685 -1.414 11.098 1.00 1.36 C ATOM 70 CG2 VAL A 682 -4.196 -1.566 11.075 1.00 1.32 C ATOM 0 H VAL A 682 -7.461 0.067 9.435 1.00 0.33 H new ATOM 0 HA VAL A 682 -4.585 0.537 9.199 1.00 0.35 H new ATOM 0 HB VAL A 682 -5.330 0.204 11.404 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -6.666 -1.741 12.138 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -7.531 -0.745 10.944 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -6.786 -2.282 10.447 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -4.235 -1.887 12.116 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -4.216 -2.441 10.425 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -3.277 -1.006 10.902 1.00 1.32 H new ATOM 80 N LEU A 683 -4.199 -1.076 7.407 1.00 0.34 N ATOM 81 CA LEU A 683 -3.787 -2.051 6.416 1.00 0.39 C ATOM 82 C LEU A 683 -2.313 -2.386 6.550 1.00 0.38 C ATOM 83 O LEU A 683 -1.465 -1.511 6.352 1.00 0.38 O ATOM 84 CB LEU A 683 -4.078 -1.508 5.022 1.00 0.47 C ATOM 85 CG LEU A 683 -5.536 -1.123 4.792 1.00 0.82 C ATOM 86 CD1 LEU A 683 -5.678 -0.310 3.516 1.00 1.44 C ATOM 87 CD2 LEU A 683 -6.411 -2.365 4.736 1.00 1.55 C ATOM 0 H LEU A 683 -3.744 -0.168 7.311 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.351 -2.969 6.578 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.451 -0.634 4.847 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -3.792 -2.258 4.285 1.00 0.47 H new ATOM 0 HG LEU A 683 -5.867 -0.507 5.628 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -6.725 -0.044 3.368 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -5.081 0.598 3.595 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -5.330 -0.900 2.668 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -7.448 -2.072 4.571 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -6.081 -3.006 3.919 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.332 -2.908 5.678 1.00 1.55 H new ATOM 99 N PRO A 684 -1.951 -3.618 6.906 1.00 0.41 N ATOM 100 CA PRO A 684 -0.576 -4.040 6.750 1.00 0.40 C ATOM 101 C PRO A 684 -0.315 -4.413 5.296 1.00 0.38 C ATOM 102 O PRO A 684 -1.064 -5.190 4.707 1.00 0.43 O ATOM 103 CB PRO A 684 -0.464 -5.274 7.658 1.00 0.48 C ATOM 104 CG PRO A 684 -1.819 -5.474 8.275 1.00 0.65 C ATOM 105 CD PRO A 684 -2.799 -4.663 7.472 1.00 0.48 C ATOM 0 HA PRO A 684 0.146 -3.266 7.011 1.00 0.40 H new ATOM 0 HB2 PRO A 684 -0.165 -6.152 7.085 1.00 0.48 H new ATOM 0 HB3 PRO A 684 0.294 -5.123 8.427 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.094 -6.529 8.266 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -1.818 -5.154 9.317 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -3.281 -5.259 6.697 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.592 -4.250 8.096 1.00 0.48 H new ATOM 113 N VAL A 685 0.749 -3.887 4.721 1.00 0.34 N ATOM 114 CA VAL A 685 1.132 -4.255 3.362 1.00 0.33 C ATOM 115 C VAL A 685 2.374 -5.127 3.373 1.00 0.30 C ATOM 116 O VAL A 685 3.296 -4.862 4.140 1.00 0.33 O ATOM 117 CB VAL A 685 1.360 -3.016 2.477 1.00 0.39 C ATOM 118 CG1 VAL A 685 0.070 -2.216 2.357 1.00 0.45 C ATOM 119 CG2 VAL A 685 2.482 -2.154 3.032 1.00 0.60 C ATOM 0 H VAL A 685 1.364 -3.206 5.167 1.00 0.34 H new ATOM 0 HA VAL A 685 0.305 -4.822 2.935 1.00 0.33 H new ATOM 0 HB VAL A 685 1.657 -3.348 1.482 1.00 0.39 H new ATOM 0 HG11 VAL A 685 0.241 -1.342 1.729 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -0.704 -2.839 1.908 1.00 0.45 H new ATOM 0 HG13 VAL A 685 -0.252 -1.894 3.347 1.00 0.45 H new ATOM 0 HG21 VAL A 685 2.625 -1.285 2.390 1.00 0.60 H new ATOM 0 HG22 VAL A 685 2.223 -1.824 4.038 1.00 0.60 H new ATOM 0 HG23 VAL A 685 3.404 -2.735 3.067 1.00 0.60 H new ATOM 129 N PHE A 686 2.434 -6.133 2.508 1.00 0.33 N ATOM 130 CA PHE A 686 3.583 -7.038 2.517 1.00 0.37 C ATOM 131 C PHE A 686 4.309 -6.998 1.193 1.00 0.44 C ATOM 132 O PHE A 686 3.795 -7.414 0.161 1.00 0.70 O ATOM 133 CB PHE A 686 3.236 -8.482 2.904 1.00 0.62 C ATOM 134 CG PHE A 686 1.841 -8.940 2.580 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.401 -9.035 1.273 1.00 1.55 C ATOM 136 CD2 PHE A 686 0.979 -9.312 3.600 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.127 -9.490 0.988 1.00 2.32 C ATOM 138 CE2 PHE A 686 -0.295 -9.761 3.321 1.00 2.43 C ATOM 139 CZ PHE A 686 -0.722 -9.852 2.012 1.00 2.65 C ATOM 0 H PHE A 686 1.722 -6.342 1.808 1.00 0.33 H new ATOM 0 HA PHE A 686 4.244 -6.670 3.302 1.00 0.37 H new ATOM 0 HB2 PHE A 686 3.940 -9.149 2.406 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.394 -8.596 3.976 1.00 0.62 H new ATOM 0 HD1 PHE A 686 2.060 -8.751 0.466 1.00 1.55 H new ATOM 0 HD2 PHE A 686 1.309 -9.249 4.626 1.00 1.65 H new ATOM 0 HE1 PHE A 686 -0.203 -9.562 -0.038 1.00 2.32 H new ATOM 0 HE2 PHE A 686 -0.958 -10.041 4.126 1.00 2.43 H new ATOM 0 HZ PHE A 686 -1.718 -10.206 1.790 1.00 2.65 H new ATOM 149 N TYR A 687 5.506 -6.470 1.244 1.00 0.46 N ATOM 150 CA TYR A 687 6.266 -6.152 0.072 1.00 0.69 C ATOM 151 C TYR A 687 7.664 -6.731 0.098 1.00 0.50 C ATOM 152 O TYR A 687 8.282 -6.884 1.156 1.00 0.64 O ATOM 153 CB TYR A 687 6.325 -4.659 -0.096 1.00 1.33 C ATOM 154 CG TYR A 687 6.622 -3.883 1.167 1.00 2.53 C ATOM 155 CD1 TYR A 687 5.630 -3.636 2.101 1.00 3.44 C ATOM 156 CD2 TYR A 687 7.919 -3.472 1.461 1.00 3.03 C ATOM 157 CE1 TYR A 687 5.918 -3.010 3.291 1.00 4.64 C ATOM 158 CE2 TYR A 687 8.208 -2.832 2.645 1.00 4.21 C ATOM 159 CZ TYR A 687 7.125 -2.321 3.399 1.00 4.97 C ATOM 160 OH TYR A 687 7.499 -2.009 4.756 1.00 6.20 O ATOM 0 H TYR A 687 5.983 -6.247 2.118 1.00 0.46 H new ATOM 0 HA TYR A 687 5.758 -6.608 -0.778 1.00 0.69 H new ATOM 0 HB2 TYR A 687 7.088 -4.422 -0.837 1.00 1.33 H new ATOM 0 HB3 TYR A 687 5.372 -4.316 -0.499 1.00 1.33 H new ATOM 0 HD1 TYR A 687 4.615 -3.940 1.892 1.00 3.44 H new ATOM 0 HD2 TYR A 687 8.710 -3.658 0.750 1.00 3.03 H new ATOM 0 HE1 TYR A 687 5.227 -3.051 4.120 1.00 4.64 H new ATOM 0 HE2 TYR A 687 9.227 -2.724 2.987 1.00 4.21 H new ATOM 0 HH TYR A 687 7.731 -1.059 4.821 1.00 6.20 H new ATOM 170 N PHE A 688 8.164 -7.061 -1.071 1.00 0.57 N ATOM 171 CA PHE A 688 9.540 -7.515 -1.165 1.00 0.60 C ATOM 172 C PHE A 688 10.413 -6.282 -1.261 1.00 0.63 C ATOM 173 O PHE A 688 10.386 -5.542 -2.245 1.00 0.69 O ATOM 174 CB PHE A 688 9.744 -8.424 -2.380 1.00 0.81 C ATOM 175 CG PHE A 688 8.856 -9.634 -2.383 1.00 1.20 C ATOM 176 CD1 PHE A 688 7.762 -9.701 -3.230 1.00 1.75 C ATOM 177 CD2 PHE A 688 9.113 -10.701 -1.539 1.00 1.41 C ATOM 178 CE1 PHE A 688 6.942 -10.811 -3.237 1.00 2.40 C ATOM 179 CE2 PHE A 688 8.296 -11.815 -1.540 1.00 2.00 C ATOM 180 CZ PHE A 688 7.209 -11.871 -2.391 1.00 2.48 C ATOM 0 H PHE A 688 7.655 -7.027 -1.954 1.00 0.57 H new ATOM 0 HA PHE A 688 9.803 -8.106 -0.288 1.00 0.60 H new ATOM 0 HB2 PHE A 688 9.563 -7.849 -3.288 1.00 0.81 H new ATOM 0 HB3 PHE A 688 10.784 -8.748 -2.410 1.00 0.81 H new ATOM 0 HD1 PHE A 688 7.548 -8.875 -3.892 1.00 1.75 H new ATOM 0 HD2 PHE A 688 9.962 -10.662 -0.872 1.00 1.41 H new ATOM 0 HE1 PHE A 688 6.093 -10.851 -3.903 1.00 2.40 H new ATOM 0 HE2 PHE A 688 8.507 -12.641 -0.877 1.00 2.00 H new ATOM 0 HZ PHE A 688 6.569 -12.741 -2.395 1.00 2.48 H new ATOM 190 N ALA A 689 11.175 -6.071 -0.199 1.00 0.73 N ATOM 191 CA ALA A 689 11.794 -4.787 0.068 1.00 0.85 C ATOM 192 C ALA A 689 13.092 -4.603 -0.674 1.00 0.81 C ATOM 193 O ALA A 689 13.898 -5.529 -0.790 1.00 0.80 O ATOM 194 CB ALA A 689 12.031 -4.623 1.562 1.00 1.07 C ATOM 0 H ALA A 689 11.380 -6.785 0.500 1.00 0.73 H new ATOM 0 HA ALA A 689 11.104 -4.022 -0.288 1.00 0.85 H new ATOM 0 HB1 ALA A 689 12.496 -3.656 1.753 1.00 1.07 H new ATOM 0 HB2 ALA A 689 11.079 -4.678 2.090 1.00 1.07 H new ATOM 0 HB3 ALA A 689 12.688 -5.418 1.916 1.00 1.07 H new ATOM 200 N ARG A 690 13.278 -3.399 -1.191 1.00 0.87 N ATOM 201 CA ARG A 690 14.564 -3.003 -1.711 1.00 0.87 C ATOM 202 C ARG A 690 15.154 -2.033 -0.712 1.00 0.85 C ATOM 203 O ARG A 690 15.053 -0.813 -0.835 1.00 0.97 O ATOM 204 CB ARG A 690 14.428 -2.371 -3.106 1.00 1.06 C ATOM 205 CG ARG A 690 14.141 -3.370 -4.228 1.00 1.22 C ATOM 206 CD ARG A 690 13.019 -4.330 -3.863 1.00 1.47 C ATOM 207 NE ARG A 690 12.595 -5.165 -4.984 1.00 2.19 N ATOM 208 CZ ARG A 690 12.524 -6.494 -4.928 1.00 2.74 C ATOM 209 NH1 ARG A 690 12.957 -7.135 -3.849 1.00 2.85 N ATOM 210 NH2 ARG A 690 12.040 -7.182 -5.952 1.00 3.57 N ATOM 0 H ARG A 690 12.553 -2.685 -1.259 1.00 0.87 H new ATOM 0 HA ARG A 690 15.218 -3.866 -1.837 1.00 0.87 H new ATOM 0 HB2 ARG A 690 13.627 -1.632 -3.080 1.00 1.06 H new ATOM 0 HB3 ARG A 690 15.348 -1.835 -3.340 1.00 1.06 H new ATOM 0 HG2 ARG A 690 13.874 -2.829 -5.136 1.00 1.22 H new ATOM 0 HG3 ARG A 690 15.045 -3.937 -4.449 1.00 1.22 H new ATOM 0 HD2 ARG A 690 13.348 -4.970 -3.044 1.00 1.47 H new ATOM 0 HD3 ARG A 690 12.165 -3.760 -3.498 1.00 1.47 H new ATOM 0 HE ARG A 690 12.339 -4.705 -5.858 1.00 2.19 H new ATOM 0 HH11 ARG A 690 13.343 -6.610 -3.065 1.00 2.85 H new ATOM 0 HH12 ARG A 690 12.903 -8.153 -3.804 1.00 2.85 H new ATOM 0 HH21 ARG A 690 11.720 -6.694 -6.788 1.00 3.57 H new ATOM 0 HH22 ARG A 690 11.988 -8.200 -5.904 1.00 3.57 H new ATOM 224 N GLU A 691 15.739 -2.636 0.286 1.00 0.74 N ATOM 225 CA GLU A 691 16.395 -1.965 1.382 1.00 0.73 C ATOM 226 C GLU A 691 17.904 -2.082 1.187 1.00 0.72 C ATOM 227 O GLU A 691 18.342 -2.648 0.188 1.00 0.76 O ATOM 228 CB GLU A 691 15.947 -2.513 2.755 1.00 0.70 C ATOM 229 CG GLU A 691 14.455 -2.388 3.038 1.00 0.99 C ATOM 230 CD GLU A 691 14.130 -2.502 4.525 1.00 1.45 C ATOM 231 OE1 GLU A 691 14.410 -3.570 5.116 1.00 1.87 O ATOM 232 OE2 GLU A 691 13.572 -1.541 5.103 1.00 1.98 O ATOM 0 H GLU A 691 15.775 -3.652 0.364 1.00 0.74 H new ATOM 0 HA GLU A 691 16.109 -0.913 1.380 1.00 0.73 H new ATOM 0 HB2 GLU A 691 16.228 -3.564 2.820 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.496 -1.988 3.537 1.00 0.70 H new ATOM 0 HG2 GLU A 691 14.097 -1.429 2.664 1.00 0.99 H new ATOM 0 HG3 GLU A 691 13.919 -3.164 2.492 1.00 0.99 H new ATOM 239 N PRO A 692 18.701 -1.465 2.073 1.00 0.77 N ATOM 240 CA PRO A 692 20.163 -1.676 2.211 1.00 0.85 C ATOM 241 C PRO A 692 20.651 -3.146 2.072 1.00 0.85 C ATOM 242 O PRO A 692 21.828 -3.420 2.300 1.00 1.01 O ATOM 243 CB PRO A 692 20.476 -1.162 3.624 1.00 0.96 C ATOM 244 CG PRO A 692 19.184 -0.657 4.188 1.00 0.96 C ATOM 245 CD PRO A 692 18.264 -0.437 3.025 1.00 0.88 C ATOM 0 HA PRO A 692 20.678 -1.161 1.400 1.00 0.85 H new ATOM 0 HB2 PRO A 692 20.885 -1.959 4.245 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.222 -0.368 3.592 1.00 0.96 H new ATOM 0 HG2 PRO A 692 18.759 -1.377 4.887 1.00 0.96 H new ATOM 0 HG3 PRO A 692 19.339 0.270 4.740 1.00 0.96 H new ATOM 0 HD2 PRO A 692 17.218 -0.563 3.306 1.00 0.88 H new ATOM 0 HD3 PRO A 692 18.365 0.567 2.612 1.00 0.88 H new ATOM 253 N HIS A 693 19.746 -4.064 1.704 1.00 0.76 N ATOM 254 CA HIS A 693 19.916 -5.516 1.783 1.00 0.84 C ATOM 255 C HIS A 693 19.680 -5.984 3.192 1.00 0.83 C ATOM 256 O HIS A 693 20.432 -6.768 3.768 1.00 1.01 O ATOM 257 CB HIS A 693 21.295 -5.984 1.285 1.00 1.08 C ATOM 258 CG HIS A 693 21.458 -5.943 -0.205 1.00 1.45 C ATOM 259 ND1 HIS A 693 21.710 -7.065 -0.963 1.00 1.93 N ATOM 260 CD2 HIS A 693 21.427 -4.906 -1.075 1.00 2.20 C ATOM 261 CE1 HIS A 693 21.824 -6.721 -2.231 1.00 2.48 C ATOM 262 NE2 HIS A 693 21.658 -5.418 -2.328 1.00 2.61 N ATOM 0 H HIS A 693 18.836 -3.799 1.327 1.00 0.76 H new ATOM 0 HA HIS A 693 19.176 -5.963 1.119 1.00 0.84 H new ATOM 0 HB2 HIS A 693 22.064 -5.360 1.740 1.00 1.08 H new ATOM 0 HB3 HIS A 693 21.466 -7.004 1.630 1.00 1.08 H new ATOM 0 HD2 HIS A 693 21.253 -3.869 -0.829 1.00 2.20 H new ATOM 0 HE1 HIS A 693 22.020 -7.395 -3.052 1.00 2.48 H new ATOM 0 HE2 HIS A 693 21.695 -4.878 -3.192 1.00 2.61 H new ATOM 271 N SER A 694 18.576 -5.487 3.715 1.00 0.71 N ATOM 272 CA SER A 694 17.972 -6.010 4.908 1.00 0.76 C ATOM 273 C SER A 694 16.841 -6.952 4.511 1.00 0.68 C ATOM 274 O SER A 694 16.672 -7.281 3.332 1.00 0.62 O ATOM 275 CB SER A 694 17.434 -4.891 5.789 1.00 0.82 C ATOM 276 OG SER A 694 18.006 -3.641 5.431 1.00 1.14 O ATOM 0 H SER A 694 18.072 -4.697 3.311 1.00 0.71 H new ATOM 0 HA SER A 694 18.727 -6.548 5.481 1.00 0.76 H new ATOM 0 HB2 SER A 694 16.349 -4.839 5.695 1.00 0.82 H new ATOM 0 HB3 SER A 694 17.653 -5.109 6.834 1.00 0.82 H new ATOM 0 HG SER A 694 17.644 -2.938 6.010 1.00 1.14 H new ATOM 282 N LYS A 695 16.108 -7.394 5.499 1.00 0.75 N ATOM 283 CA LYS A 695 15.034 -8.369 5.336 1.00 0.73 C ATOM 284 C LYS A 695 13.865 -7.835 4.484 1.00 0.59 C ATOM 285 O LYS A 695 13.704 -6.627 4.320 1.00 0.56 O ATOM 286 CB LYS A 695 14.516 -8.769 6.734 1.00 0.91 C ATOM 287 CG LYS A 695 13.809 -7.643 7.508 1.00 1.71 C ATOM 288 CD LYS A 695 14.717 -6.440 7.767 1.00 2.33 C ATOM 289 CE LYS A 695 13.976 -5.287 8.419 1.00 3.33 C ATOM 290 NZ LYS A 695 14.454 -3.968 7.912 1.00 4.08 N ATOM 0 H LYS A 695 16.235 -7.087 6.463 1.00 0.75 H new ATOM 0 HA LYS A 695 15.442 -9.230 4.806 1.00 0.73 H new ATOM 0 HB2 LYS A 695 13.825 -9.605 6.624 1.00 0.91 H new ATOM 0 HB3 LYS A 695 15.357 -9.127 7.329 1.00 0.91 H new ATOM 0 HG2 LYS A 695 12.933 -7.317 6.947 1.00 1.71 H new ATOM 0 HG3 LYS A 695 13.450 -8.033 8.460 1.00 1.71 H new ATOM 0 HD2 LYS A 695 15.545 -6.744 8.407 1.00 2.33 H new ATOM 0 HD3 LYS A 695 15.149 -6.104 6.824 1.00 2.33 H new ATOM 0 HE2 LYS A 695 12.908 -5.386 8.227 1.00 3.33 H new ATOM 0 HE3 LYS A 695 14.111 -5.332 9.500 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 13.869 -3.208 8.315 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 15.446 -3.827 8.192 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 14.381 -3.948 6.875 1.00 4.08 H new ATOM 304 N PRO A 696 13.050 -8.750 3.905 1.00 0.58 N ATOM 305 CA PRO A 696 11.781 -8.397 3.241 1.00 0.49 C ATOM 306 C PRO A 696 10.813 -7.780 4.242 1.00 0.45 C ATOM 307 O PRO A 696 10.815 -8.158 5.416 1.00 0.57 O ATOM 308 CB PRO A 696 11.245 -9.741 2.732 1.00 0.63 C ATOM 309 CG PRO A 696 12.427 -10.648 2.718 1.00 0.94 C ATOM 310 CD PRO A 696 13.306 -10.197 3.849 1.00 0.74 C ATOM 0 HA PRO A 696 11.909 -7.666 2.443 1.00 0.49 H new ATOM 0 HB2 PRO A 696 10.461 -10.125 3.384 1.00 0.63 H new ATOM 0 HB3 PRO A 696 10.812 -9.642 1.737 1.00 0.63 H new ATOM 0 HG2 PRO A 696 12.124 -11.687 2.849 1.00 0.94 H new ATOM 0 HG3 PRO A 696 12.954 -10.588 1.766 1.00 0.94 H new ATOM 0 HD2 PRO A 696 13.045 -10.690 4.785 1.00 0.74 H new ATOM 0 HD3 PRO A 696 14.357 -10.415 3.656 1.00 0.74 H new ATOM 318 N ILE A 697 9.971 -6.853 3.804 1.00 0.46 N ATOM 319 CA ILE A 697 9.272 -6.009 4.756 1.00 0.56 C ATOM 320 C ILE A 697 7.774 -5.897 4.508 1.00 0.51 C ATOM 321 O ILE A 697 7.308 -5.783 3.383 1.00 0.63 O ATOM 322 CB ILE A 697 9.906 -4.599 4.802 1.00 0.82 C ATOM 323 CG1 ILE A 697 11.278 -4.696 5.446 1.00 1.02 C ATOM 324 CG2 ILE A 697 9.046 -3.648 5.621 1.00 1.01 C ATOM 325 CD1 ILE A 697 11.190 -5.183 6.873 1.00 1.15 C ATOM 0 H ILE A 697 9.761 -6.671 2.823 1.00 0.46 H new ATOM 0 HA ILE A 697 9.385 -6.503 5.721 1.00 0.56 H new ATOM 0 HB ILE A 697 9.984 -4.217 3.784 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.905 -5.375 4.867 1.00 1.02 H new ATOM 0 HG13 ILE A 697 11.761 -3.719 5.424 1.00 1.02 H new ATOM 0 HG21 ILE A 697 9.511 -2.662 5.640 1.00 1.01 H new ATOM 0 HG22 ILE A 697 8.056 -3.574 5.171 1.00 1.01 H new ATOM 0 HG23 ILE A 697 8.954 -4.026 6.639 1.00 1.01 H new ATOM 0 HD11 ILE A 697 12.191 -5.240 7.301 1.00 1.15 H new ATOM 0 HD12 ILE A 697 10.585 -4.490 7.457 1.00 1.15 H new ATOM 0 HD13 ILE A 697 10.731 -6.171 6.892 1.00 1.15 H new ATOM 337 N LYS A 698 7.035 -5.964 5.596 1.00 0.56 N ATOM 338 CA LYS A 698 5.625 -5.647 5.617 1.00 0.65 C ATOM 339 C LYS A 698 5.389 -4.492 6.586 1.00 0.46 C ATOM 340 O LYS A 698 5.726 -4.607 7.766 1.00 0.52 O ATOM 341 CB LYS A 698 4.829 -6.877 6.060 1.00 1.04 C ATOM 342 CG LYS A 698 3.418 -6.564 6.538 1.00 1.91 C ATOM 343 CD LYS A 698 2.986 -7.506 7.645 1.00 2.12 C ATOM 344 CE LYS A 698 2.771 -8.925 7.137 1.00 2.62 C ATOM 345 NZ LYS A 698 2.408 -9.856 8.239 1.00 3.17 N ATOM 0 H LYS A 698 7.405 -6.245 6.504 1.00 0.56 H new ATOM 0 HA LYS A 698 5.295 -5.355 4.620 1.00 0.65 H new ATOM 0 HB2 LYS A 698 4.772 -7.579 5.228 1.00 1.04 H new ATOM 0 HB3 LYS A 698 5.371 -7.377 6.863 1.00 1.04 H new ATOM 0 HG2 LYS A 698 3.373 -5.535 6.896 1.00 1.91 H new ATOM 0 HG3 LYS A 698 2.724 -6.641 5.701 1.00 1.91 H new ATOM 0 HD2 LYS A 698 3.742 -7.513 8.430 1.00 2.12 H new ATOM 0 HD3 LYS A 698 2.063 -7.138 8.094 1.00 2.12 H new ATOM 0 HE2 LYS A 698 1.982 -8.926 6.385 1.00 2.62 H new ATOM 0 HE3 LYS A 698 3.679 -9.277 6.647 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 2.270 -10.812 7.854 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 3.172 -9.874 8.944 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 1.528 -9.534 8.690 1.00 3.17 H new ATOM 359 N PHE A 699 4.828 -3.377 6.120 1.00 0.41 N ATOM 360 CA PHE A 699 4.535 -2.288 7.035 1.00 0.33 C ATOM 361 C PHE A 699 3.048 -2.131 7.216 1.00 0.32 C ATOM 362 O PHE A 699 2.283 -2.135 6.250 1.00 0.33 O ATOM 363 CB PHE A 699 5.131 -0.958 6.578 1.00 0.41 C ATOM 364 CG PHE A 699 6.161 -0.414 7.527 1.00 0.77 C ATOM 365 CD1 PHE A 699 5.800 0.502 8.499 1.00 1.08 C ATOM 366 CD2 PHE A 699 7.484 -0.818 7.451 1.00 1.27 C ATOM 367 CE1 PHE A 699 6.739 1.008 9.378 1.00 1.58 C ATOM 368 CE2 PHE A 699 8.427 -0.317 8.326 1.00 1.76 C ATOM 369 CZ PHE A 699 8.055 0.598 9.291 1.00 1.84 C ATOM 0 H PHE A 699 4.576 -3.211 5.146 1.00 0.41 H new ATOM 0 HA PHE A 699 4.999 -2.552 7.985 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.585 -1.089 5.596 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.330 -0.228 6.464 1.00 0.41 H new ATOM 0 HD1 PHE A 699 4.772 0.826 8.572 1.00 1.08 H new ATOM 0 HD2 PHE A 699 7.781 -1.533 6.698 1.00 1.27 H new ATOM 0 HE1 PHE A 699 6.444 1.723 10.132 1.00 1.58 H new ATOM 0 HE2 PHE A 699 9.455 -0.640 8.256 1.00 1.76 H new ATOM 0 HZ PHE A 699 8.791 0.992 9.976 1.00 1.84 H new ATOM 379 N LEU A 700 2.644 -2.010 8.458 1.00 0.32 N ATOM 380 CA LEU A 700 1.267 -1.738 8.773 1.00 0.31 C ATOM 381 C LEU A 700 1.084 -0.234 8.868 1.00 0.28 C ATOM 382 O LEU A 700 1.569 0.409 9.801 1.00 0.34 O ATOM 383 CB LEU A 700 0.894 -2.435 10.093 1.00 0.38 C ATOM 384 CG LEU A 700 -0.578 -2.355 10.513 1.00 0.49 C ATOM 385 CD1 LEU A 700 -0.913 -3.494 11.464 1.00 0.98 C ATOM 386 CD2 LEU A 700 -0.880 -1.024 11.186 1.00 0.73 C ATOM 0 H LEU A 700 3.256 -2.097 9.270 1.00 0.32 H new ATOM 0 HA LEU A 700 0.608 -2.124 7.995 1.00 0.31 H new ATOM 0 HB2 LEU A 700 1.170 -3.486 10.014 1.00 0.38 H new ATOM 0 HB3 LEU A 700 1.501 -2.005 10.890 1.00 0.38 H new ATOM 0 HG LEU A 700 -1.191 -2.438 9.615 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -1.961 -3.428 11.756 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -0.734 -4.447 10.967 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -0.284 -3.424 12.351 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -1.931 -0.992 11.474 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -0.257 -0.915 12.074 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -0.669 -0.210 10.493 1.00 0.73 H new ATOM 398 N VAL A 701 0.422 0.327 7.872 1.00 0.25 N ATOM 399 CA VAL A 701 0.079 1.731 7.893 1.00 0.27 C ATOM 400 C VAL A 701 -1.427 1.899 8.044 1.00 0.24 C ATOM 401 O VAL A 701 -2.204 1.182 7.410 1.00 0.28 O ATOM 402 CB VAL A 701 0.522 2.481 6.624 1.00 0.35 C ATOM 403 CG1 VAL A 701 2.038 2.502 6.492 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.124 1.864 5.398 1.00 0.41 C ATOM 0 H VAL A 701 0.112 -0.172 7.038 1.00 0.25 H new ATOM 0 HA VAL A 701 0.611 2.160 8.742 1.00 0.27 H new ATOM 0 HB VAL A 701 0.190 3.516 6.707 1.00 0.35 H new ATOM 0 HG11 VAL A 701 2.317 3.039 5.585 1.00 0.36 H new ATOM 0 HG12 VAL A 701 2.472 3.002 7.358 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.413 1.480 6.438 1.00 0.36 H new ATOM 0 HG21 VAL A 701 0.197 2.403 4.507 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.174 0.819 5.317 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.209 1.926 5.488 1.00 0.41 H new ATOM 414 N SER A 702 -1.864 2.796 8.902 1.00 0.26 N ATOM 415 CA SER A 702 -3.276 3.091 8.940 1.00 0.27 C ATOM 416 C SER A 702 -3.547 4.316 8.077 1.00 0.28 C ATOM 417 O SER A 702 -3.193 5.441 8.438 1.00 0.34 O ATOM 418 CB SER A 702 -3.731 3.323 10.379 1.00 0.34 C ATOM 419 OG SER A 702 -5.144 3.247 10.494 1.00 1.39 O ATOM 0 H SER A 702 -1.284 3.316 9.560 1.00 0.26 H new ATOM 0 HA SER A 702 -3.841 2.246 8.547 1.00 0.27 H new ATOM 0 HB2 SER A 702 -3.271 2.581 11.032 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.389 4.301 10.717 1.00 0.34 H new ATOM 0 HG SER A 702 -5.405 3.398 11.427 1.00 1.39 H new ATOM 425 N VAL A 703 -4.152 4.084 6.917 1.00 0.28 N ATOM 426 CA VAL A 703 -4.508 5.147 6.002 1.00 0.34 C ATOM 427 C VAL A 703 -5.704 4.724 5.179 1.00 0.36 C ATOM 428 O VAL A 703 -5.900 3.539 4.916 1.00 0.40 O ATOM 429 CB VAL A 703 -3.373 5.512 5.017 1.00 0.42 C ATOM 430 CG1 VAL A 703 -3.046 6.995 5.089 1.00 0.77 C ATOM 431 CG2 VAL A 703 -2.130 4.669 5.244 1.00 0.56 C ATOM 0 H VAL A 703 -4.407 3.152 6.590 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.720 6.021 6.618 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.734 5.290 4.013 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -2.245 7.225 4.387 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -3.932 7.576 4.832 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -2.726 7.248 6.100 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.359 4.959 4.531 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -1.764 4.827 6.258 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -2.374 3.616 5.106 1.00 0.56 H new ATOM 441 N SER A 704 -6.480 5.683 4.757 1.00 0.44 N ATOM 442 CA SER A 704 -7.497 5.450 3.763 1.00 0.48 C ATOM 443 C SER A 704 -7.455 6.600 2.792 1.00 0.66 C ATOM 444 O SER A 704 -6.832 7.626 3.078 1.00 0.82 O ATOM 445 CB SER A 704 -8.882 5.338 4.404 1.00 0.49 C ATOM 446 OG SER A 704 -9.279 6.551 5.010 1.00 1.19 O ATOM 0 H SER A 704 -6.428 6.646 5.089 1.00 0.44 H new ATOM 0 HA SER A 704 -7.307 4.507 3.250 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.612 5.055 3.646 1.00 0.49 H new ATOM 0 HB3 SER A 704 -8.874 4.544 5.151 1.00 0.49 H new ATOM 0 HG SER A 704 -10.168 6.442 5.407 1.00 1.19 H new ATOM 452 N LYS A 705 -8.069 6.429 1.641 1.00 0.87 N ATOM 453 CA LYS A 705 -8.184 7.538 0.716 1.00 1.08 C ATOM 454 C LYS A 705 -9.017 8.620 1.360 1.00 0.96 C ATOM 455 O LYS A 705 -10.231 8.489 1.522 1.00 1.22 O ATOM 456 CB LYS A 705 -8.778 7.129 -0.640 1.00 1.57 C ATOM 457 CG LYS A 705 -10.152 6.489 -0.569 1.00 2.47 C ATOM 458 CD LYS A 705 -11.087 7.026 -1.648 1.00 3.17 C ATOM 459 CE LYS A 705 -11.653 8.394 -1.293 1.00 3.91 C ATOM 460 NZ LYS A 705 -12.416 8.363 -0.015 1.00 4.66 N ATOM 0 H LYS A 705 -8.488 5.554 1.327 1.00 0.87 H new ATOM 0 HA LYS A 705 -7.180 7.906 0.503 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -8.837 8.013 -1.276 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -8.094 6.433 -1.125 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -10.055 5.409 -0.678 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -10.588 6.673 0.413 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -10.548 7.092 -2.593 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -11.907 6.324 -1.798 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -10.839 9.114 -1.213 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -12.304 8.737 -2.097 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -13.029 9.201 0.044 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -13.000 7.503 0.020 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -11.752 8.363 0.786 1.00 4.66 H new ATOM 474 N GLU A 706 -8.346 9.658 1.794 1.00 0.96 N ATOM 475 CA GLU A 706 -9.026 10.820 2.284 1.00 1.16 C ATOM 476 C GLU A 706 -9.644 11.521 1.093 1.00 1.49 C ATOM 477 O GLU A 706 -9.528 11.046 -0.042 1.00 1.84 O ATOM 478 CB GLU A 706 -8.070 11.738 3.040 1.00 1.55 C ATOM 479 CG GLU A 706 -8.715 12.420 4.236 1.00 1.85 C ATOM 480 CD GLU A 706 -8.739 13.922 4.108 1.00 2.27 C ATOM 481 OE1 GLU A 706 -7.799 14.576 4.595 1.00 2.69 O ATOM 482 OE2 GLU A 706 -9.701 14.453 3.513 1.00 2.79 O ATOM 0 H GLU A 706 -7.328 9.717 1.816 1.00 0.96 H new ATOM 0 HA GLU A 706 -9.803 10.536 2.994 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -7.212 11.158 3.380 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -7.691 12.498 2.357 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -9.735 12.053 4.351 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -8.173 12.145 5.141 1.00 1.85 H new ATOM 489 N ASN A 707 -10.302 12.626 1.331 1.00 1.81 N ATOM 490 CA ASN A 707 -11.009 13.327 0.277 1.00 2.13 C ATOM 491 C ASN A 707 -10.075 13.859 -0.812 1.00 1.71 C ATOM 492 O ASN A 707 -10.533 14.534 -1.734 1.00 1.87 O ATOM 493 CB ASN A 707 -11.854 14.453 0.878 1.00 2.79 C ATOM 494 CG ASN A 707 -13.086 13.908 1.578 1.00 3.37 C ATOM 495 OD1 ASN A 707 -13.659 12.908 1.152 1.00 3.87 O ATOM 496 ND2 ASN A 707 -13.494 14.536 2.668 1.00 3.89 N ATOM 0 H ASN A 707 -10.366 13.066 2.249 1.00 1.81 H new ATOM 0 HA ASN A 707 -11.665 12.607 -0.213 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -11.253 15.022 1.587 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -12.157 15.143 0.090 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -14.306 14.192 3.181 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -12.997 15.364 2.996 1.00 3.89 H new ATOM 503 N SER A 708 -8.772 13.560 -0.732 1.00 1.30 N ATOM 504 CA SER A 708 -7.855 14.093 -1.727 1.00 1.07 C ATOM 505 C SER A 708 -7.399 13.031 -2.731 1.00 0.94 C ATOM 506 O SER A 708 -7.663 13.151 -3.927 1.00 1.14 O ATOM 507 CB SER A 708 -6.611 14.629 -1.013 1.00 1.20 C ATOM 508 OG SER A 708 -6.963 15.444 0.093 1.00 1.82 O ATOM 0 H SER A 708 -8.348 12.973 -0.014 1.00 1.30 H new ATOM 0 HA SER A 708 -8.383 14.875 -2.272 1.00 1.07 H new ATOM 0 HB2 SER A 708 -5.997 13.795 -0.672 1.00 1.20 H new ATOM 0 HB3 SER A 708 -6.006 15.205 -1.714 1.00 1.20 H new ATOM 0 HG SER A 708 -6.149 15.771 0.531 1.00 1.82 H new ATOM 514 N THR A 709 -6.733 11.986 -2.253 1.00 0.79 N ATOM 515 CA THR A 709 -6.268 10.929 -3.139 1.00 0.73 C ATOM 516 C THR A 709 -6.407 9.531 -2.517 1.00 0.64 C ATOM 517 O THR A 709 -6.545 9.394 -1.301 1.00 0.67 O ATOM 518 CB THR A 709 -4.817 11.192 -3.596 1.00 0.81 C ATOM 519 OG1 THR A 709 -4.394 10.176 -4.507 1.00 0.90 O ATOM 520 CG2 THR A 709 -3.864 11.253 -2.416 1.00 0.85 C ATOM 0 H THR A 709 -6.506 11.850 -1.268 1.00 0.79 H new ATOM 0 HA THR A 709 -6.915 10.945 -4.016 1.00 0.73 H new ATOM 0 HB THR A 709 -4.799 12.160 -4.097 1.00 0.81 H new ATOM 0 HG1 THR A 709 -3.540 10.435 -4.913 1.00 0.90 H new ATOM 0 HG21 THR A 709 -2.852 11.439 -2.775 1.00 0.85 H new ATOM 0 HG22 THR A 709 -4.166 12.058 -1.746 1.00 0.85 H new ATOM 0 HG23 THR A 709 -3.889 10.305 -1.878 1.00 0.85 H new ATOM 528 N ALA A 710 -6.365 8.504 -3.369 1.00 0.68 N ATOM 529 CA ALA A 710 -6.179 7.119 -2.930 1.00 0.65 C ATOM 530 C ALA A 710 -4.714 6.876 -2.574 1.00 0.48 C ATOM 531 O ALA A 710 -4.381 5.967 -1.819 1.00 0.46 O ATOM 532 CB ALA A 710 -6.614 6.158 -4.030 1.00 0.86 C ATOM 0 H ALA A 710 -6.459 8.608 -4.379 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.792 6.944 -2.046 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -6.472 5.131 -3.693 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -7.667 6.322 -4.261 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -6.015 6.333 -4.924 1.00 0.86 H new ATOM 538 N SER A 711 -3.864 7.722 -3.130 1.00 0.49 N ATOM 539 CA SER A 711 -2.413 7.565 -3.094 1.00 0.51 C ATOM 540 C SER A 711 -1.843 7.653 -1.685 1.00 0.43 C ATOM 541 O SER A 711 -0.806 7.058 -1.408 1.00 0.43 O ATOM 542 CB SER A 711 -1.749 8.605 -3.994 1.00 0.70 C ATOM 543 OG SER A 711 -2.195 8.468 -5.333 1.00 1.55 O ATOM 0 H SER A 711 -4.166 8.557 -3.631 1.00 0.49 H new ATOM 0 HA SER A 711 -2.194 6.563 -3.463 1.00 0.51 H new ATOM 0 HB2 SER A 711 -1.977 9.607 -3.630 1.00 0.70 H new ATOM 0 HB3 SER A 711 -0.666 8.490 -3.953 1.00 0.70 H new ATOM 0 HG SER A 711 -1.760 9.144 -5.894 1.00 1.55 H new ATOM 549 N GLU A 712 -2.519 8.379 -0.800 1.00 0.43 N ATOM 550 CA GLU A 712 -1.997 8.646 0.537 1.00 0.46 C ATOM 551 C GLU A 712 -1.634 7.346 1.255 1.00 0.39 C ATOM 552 O GLU A 712 -0.721 7.315 2.086 1.00 0.42 O ATOM 553 CB GLU A 712 -3.016 9.434 1.373 1.00 0.56 C ATOM 554 CG GLU A 712 -3.338 10.824 0.826 1.00 0.67 C ATOM 555 CD GLU A 712 -3.817 11.776 1.899 1.00 1.19 C ATOM 556 OE1 GLU A 712 -3.011 12.619 2.348 1.00 1.54 O ATOM 557 OE2 GLU A 712 -4.993 11.689 2.299 1.00 1.78 O ATOM 0 H GLU A 712 -3.432 8.794 -0.985 1.00 0.43 H new ATOM 0 HA GLU A 712 -1.094 9.245 0.424 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.939 8.858 1.436 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -2.634 9.536 2.389 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -2.449 11.237 0.349 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -4.103 10.738 0.054 1.00 0.67 H new ATOM 564 N VAL A 713 -2.347 6.272 0.939 1.00 0.34 N ATOM 565 CA VAL A 713 -2.053 4.984 1.529 1.00 0.33 C ATOM 566 C VAL A 713 -0.721 4.431 1.017 1.00 0.29 C ATOM 567 O VAL A 713 0.091 3.939 1.798 1.00 0.29 O ATOM 568 CB VAL A 713 -3.197 3.972 1.300 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.489 4.537 1.851 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.368 3.597 -0.171 1.00 0.40 C ATOM 0 H VAL A 713 -3.127 6.272 0.281 1.00 0.34 H new ATOM 0 HA VAL A 713 -1.964 5.137 2.605 1.00 0.33 H new ATOM 0 HB VAL A 713 -2.934 3.055 1.828 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.297 3.823 1.689 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.378 4.724 2.919 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.724 5.472 1.342 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -4.186 2.883 -0.272 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.594 4.492 -0.751 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.447 3.148 -0.541 1.00 0.40 H new ATOM 580 N LEU A 714 -0.490 4.528 -0.289 1.00 0.33 N ATOM 581 CA LEU A 714 0.759 4.064 -0.875 1.00 0.37 C ATOM 582 C LEU A 714 1.901 4.972 -0.429 1.00 0.34 C ATOM 583 O LEU A 714 3.022 4.515 -0.196 1.00 0.37 O ATOM 584 CB LEU A 714 0.654 3.989 -2.407 1.00 0.46 C ATOM 585 CG LEU A 714 1.035 5.256 -3.175 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.493 5.201 -3.597 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.133 5.431 -4.385 1.00 0.84 C ATOM 0 H LEU A 714 -1.151 4.923 -0.958 1.00 0.33 H new ATOM 0 HA LEU A 714 0.967 3.054 -0.523 1.00 0.37 H new ATOM 0 HB2 LEU A 714 1.290 3.174 -2.754 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.371 3.726 -2.667 1.00 0.46 H new ATOM 0 HG LEU A 714 0.901 6.116 -2.518 1.00 0.45 H new ATOM 0 HD11 LEU A 714 2.748 6.110 -4.142 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.125 5.119 -2.713 1.00 0.64 H new ATOM 0 HD13 LEU A 714 2.653 4.335 -4.239 1.00 0.64 H new ATOM 0 HD21 LEU A 714 0.416 6.337 -4.922 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.239 4.570 -5.045 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.903 5.512 -4.057 1.00 0.84 H new ATOM 599 N ASP A 715 1.593 6.266 -0.302 1.00 0.32 N ATOM 600 CA ASP A 715 2.551 7.252 0.186 1.00 0.34 C ATOM 601 C ASP A 715 3.080 6.828 1.540 1.00 0.32 C ATOM 602 O ASP A 715 4.279 6.918 1.812 1.00 0.36 O ATOM 603 CB ASP A 715 1.902 8.635 0.309 1.00 0.40 C ATOM 604 CG ASP A 715 1.948 9.436 -0.976 1.00 0.99 C ATOM 605 OD1 ASP A 715 0.931 9.457 -1.704 1.00 1.94 O ATOM 606 OD2 ASP A 715 3.006 10.026 -1.280 1.00 1.37 O ATOM 0 H ASP A 715 0.678 6.654 -0.534 1.00 0.32 H new ATOM 0 HA ASP A 715 3.370 7.312 -0.531 1.00 0.34 H new ATOM 0 HB2 ASP A 715 0.863 8.515 0.617 1.00 0.40 H new ATOM 0 HB3 ASP A 715 2.405 9.196 1.097 1.00 0.40 H new ATOM 611 N SER A 716 2.181 6.326 2.374 1.00 0.28 N ATOM 612 CA SER A 716 2.541 5.841 3.681 1.00 0.28 C ATOM 613 C SER A 716 3.569 4.717 3.591 1.00 0.30 C ATOM 614 O SER A 716 4.485 4.633 4.407 1.00 0.33 O ATOM 615 CB SER A 716 1.285 5.366 4.391 1.00 0.29 C ATOM 616 OG SER A 716 0.439 6.458 4.714 1.00 0.41 O ATOM 0 H SER A 716 1.187 6.247 2.157 1.00 0.28 H new ATOM 0 HA SER A 716 2.999 6.651 4.249 1.00 0.28 H new ATOM 0 HB2 SER A 716 0.748 4.661 3.756 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.558 4.831 5.301 1.00 0.29 H new ATOM 0 HG SER A 716 0.019 6.799 3.897 1.00 0.41 H new ATOM 622 N LEU A 717 3.410 3.851 2.603 1.00 0.32 N ATOM 623 CA LEU A 717 4.284 2.696 2.449 1.00 0.39 C ATOM 624 C LEU A 717 5.674 3.124 1.986 1.00 0.37 C ATOM 625 O LEU A 717 6.675 2.703 2.561 1.00 0.43 O ATOM 626 CB LEU A 717 3.680 1.714 1.455 1.00 0.52 C ATOM 627 CG LEU A 717 2.191 1.489 1.643 1.00 0.75 C ATOM 628 CD1 LEU A 717 1.687 0.411 0.720 1.00 1.42 C ATOM 629 CD2 LEU A 717 1.917 1.137 3.080 1.00 1.42 C ATOM 0 H LEU A 717 2.682 3.925 1.893 1.00 0.32 H new ATOM 0 HA LEU A 717 4.382 2.208 3.419 1.00 0.39 H new ATOM 0 HB2 LEU A 717 3.858 2.080 0.444 1.00 0.52 H new ATOM 0 HB3 LEU A 717 4.196 0.758 1.544 1.00 0.52 H new ATOM 0 HG LEU A 717 1.659 2.407 1.393 1.00 0.75 H new ATOM 0 HD11 LEU A 717 0.617 0.270 0.875 1.00 1.42 H new ATOM 0 HD12 LEU A 717 1.868 0.704 -0.314 1.00 1.42 H new ATOM 0 HD13 LEU A 717 2.210 -0.522 0.930 1.00 1.42 H new ATOM 0 HD21 LEU A 717 0.848 0.975 3.217 1.00 1.42 H new ATOM 0 HD22 LEU A 717 2.458 0.228 3.341 1.00 1.42 H new ATOM 0 HD23 LEU A 717 2.246 1.953 3.724 1.00 1.42 H new ATOM 641 N SER A 718 5.742 3.938 0.926 1.00 0.33 N ATOM 642 CA SER A 718 7.026 4.455 0.460 1.00 0.38 C ATOM 643 C SER A 718 7.843 5.101 1.581 1.00 0.30 C ATOM 644 O SER A 718 9.030 4.810 1.733 1.00 0.31 O ATOM 645 CB SER A 718 6.813 5.448 -0.678 1.00 0.50 C ATOM 646 OG SER A 718 5.881 6.456 -0.325 1.00 1.52 O ATOM 0 H SER A 718 4.935 4.247 0.385 1.00 0.33 H new ATOM 0 HA SER A 718 7.601 3.603 0.098 1.00 0.38 H new ATOM 0 HB2 SER A 718 7.765 5.909 -0.942 1.00 0.50 H new ATOM 0 HB3 SER A 718 6.459 4.918 -1.562 1.00 0.50 H new ATOM 0 HG SER A 718 5.441 6.215 0.517 1.00 1.52 H new ATOM 652 N GLN A 719 7.220 5.962 2.375 1.00 0.29 N ATOM 653 CA GLN A 719 7.934 6.632 3.448 1.00 0.31 C ATOM 654 C GLN A 719 8.319 5.642 4.544 1.00 0.35 C ATOM 655 O GLN A 719 9.345 5.800 5.206 1.00 0.41 O ATOM 656 CB GLN A 719 7.099 7.783 4.003 1.00 0.37 C ATOM 657 CG GLN A 719 5.787 7.330 4.594 1.00 0.39 C ATOM 658 CD GLN A 719 4.891 8.480 5.016 1.00 0.48 C ATOM 659 OE1 GLN A 719 4.084 8.976 4.229 1.00 1.10 O ATOM 660 NE2 GLN A 719 5.016 8.904 6.264 1.00 1.35 N ATOM 0 H GLN A 719 6.234 6.209 2.296 1.00 0.29 H new ATOM 0 HA GLN A 719 8.857 7.050 3.045 1.00 0.31 H new ATOM 0 HB2 GLN A 719 7.674 8.306 4.767 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.903 8.500 3.205 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.260 6.717 3.863 1.00 0.39 H new ATOM 0 HG3 GLN A 719 5.985 6.696 5.459 1.00 0.39 H new ATOM 0 HE21 GLN A 719 5.697 8.467 6.885 1.00 1.35 H new ATOM 0 HE22 GLN A 719 4.432 9.668 6.604 1.00 1.35 H new ATOM 669 N SER A 720 7.493 4.619 4.713 1.00 0.35 N ATOM 670 CA SER A 720 7.788 3.511 5.613 1.00 0.45 C ATOM 671 C SER A 720 9.068 2.804 5.190 1.00 0.49 C ATOM 672 O SER A 720 9.849 2.337 6.018 1.00 0.60 O ATOM 673 CB SER A 720 6.628 2.524 5.585 1.00 0.50 C ATOM 674 OG SER A 720 5.492 3.050 6.249 1.00 0.51 O ATOM 0 H SER A 720 6.599 4.533 4.230 1.00 0.35 H new ATOM 0 HA SER A 720 7.924 3.900 6.622 1.00 0.45 H new ATOM 0 HB2 SER A 720 6.372 2.289 4.552 1.00 0.50 H new ATOM 0 HB3 SER A 720 6.930 1.590 6.059 1.00 0.50 H new ATOM 0 HG SER A 720 4.920 3.514 5.602 1.00 0.51 H new ATOM 680 N VAL A 721 9.272 2.752 3.888 1.00 0.45 N ATOM 681 CA VAL A 721 10.424 2.095 3.305 1.00 0.54 C ATOM 682 C VAL A 721 11.620 3.048 3.228 1.00 0.53 C ATOM 683 O VAL A 721 12.764 2.635 3.004 1.00 0.67 O ATOM 684 CB VAL A 721 10.061 1.569 1.904 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.293 1.134 1.143 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.062 0.437 2.013 1.00 0.70 C ATOM 0 H VAL A 721 8.640 3.166 3.203 1.00 0.45 H new ATOM 0 HA VAL A 721 10.709 1.257 3.941 1.00 0.54 H new ATOM 0 HB VAL A 721 9.603 2.383 1.343 1.00 0.58 H new ATOM 0 HG11 VAL A 721 11.002 0.768 0.158 1.00 0.65 H new ATOM 0 HG12 VAL A 721 11.969 1.982 1.030 1.00 0.65 H new ATOM 0 HG13 VAL A 721 11.797 0.338 1.691 1.00 0.65 H new ATOM 0 HG21 VAL A 721 8.813 0.074 1.016 1.00 0.70 H new ATOM 0 HG22 VAL A 721 9.495 -0.375 2.598 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.158 0.796 2.504 1.00 0.70 H new ATOM 696 N HIS A 722 11.342 4.322 3.493 1.00 0.44 N ATOM 697 CA HIS A 722 12.349 5.379 3.424 1.00 0.50 C ATOM 698 C HIS A 722 12.791 5.547 1.990 1.00 0.47 C ATOM 699 O HIS A 722 13.975 5.686 1.691 1.00 0.60 O ATOM 700 CB HIS A 722 13.568 5.046 4.299 1.00 0.69 C ATOM 701 CG HIS A 722 13.263 4.903 5.759 1.00 1.37 C ATOM 702 ND1 HIS A 722 13.684 5.806 6.707 1.00 2.03 N ATOM 703 CD2 HIS A 722 12.600 3.936 6.433 1.00 2.30 C ATOM 704 CE1 HIS A 722 13.295 5.401 7.900 1.00 2.74 C ATOM 705 NE2 HIS A 722 12.635 4.265 7.765 1.00 2.91 N ATOM 0 H HIS A 722 10.414 4.651 3.761 1.00 0.44 H new ATOM 0 HA HIS A 722 11.906 6.303 3.796 1.00 0.50 H new ATOM 0 HB2 HIS A 722 14.014 4.118 3.941 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.316 5.829 4.172 1.00 0.69 H new ATOM 0 HD2 HIS A 722 12.129 3.065 6.002 1.00 2.30 H new ATOM 0 HE1 HIS A 722 13.484 5.913 8.832 1.00 2.74 H new ATOM 0 HE2 HIS A 722 12.221 3.723 8.523 1.00 2.91 H new ATOM 714 N VAL A 723 11.812 5.514 1.113 1.00 0.36 N ATOM 715 CA VAL A 723 12.043 5.529 -0.314 1.00 0.39 C ATOM 716 C VAL A 723 11.015 6.396 -1.032 1.00 0.36 C ATOM 717 O VAL A 723 9.954 6.690 -0.478 1.00 0.34 O ATOM 718 CB VAL A 723 11.990 4.115 -0.884 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.549 3.607 -0.948 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.672 4.082 -2.231 1.00 0.62 C ATOM 0 H VAL A 723 10.826 5.476 1.372 1.00 0.36 H new ATOM 0 HA VAL A 723 13.035 5.950 -0.477 1.00 0.39 H new ATOM 0 HB VAL A 723 12.529 3.438 -0.222 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.537 2.597 -1.358 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.122 3.597 0.055 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.959 4.265 -1.587 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.632 3.070 -2.634 1.00 0.62 H new ATOM 0 HG22 VAL A 723 12.165 4.765 -2.913 1.00 0.62 H new ATOM 0 HG23 VAL A 723 13.712 4.387 -2.120 1.00 0.62 H new ATOM 730 N LYS A 724 11.346 6.828 -2.248 1.00 0.45 N ATOM 731 CA LYS A 724 10.428 7.613 -3.056 1.00 0.52 C ATOM 732 C LYS A 724 9.127 6.840 -3.315 1.00 0.44 C ATOM 733 O LYS A 724 9.135 5.620 -3.490 1.00 0.37 O ATOM 734 CB LYS A 724 11.121 7.961 -4.371 1.00 0.67 C ATOM 735 CG LYS A 724 11.707 6.754 -5.088 1.00 1.41 C ATOM 736 CD LYS A 724 13.082 7.064 -5.653 1.00 1.48 C ATOM 737 CE LYS A 724 14.016 7.579 -4.567 1.00 0.91 C ATOM 738 NZ LYS A 724 15.395 7.796 -5.069 1.00 1.46 N ATOM 0 H LYS A 724 12.246 6.645 -2.692 1.00 0.45 H new ATOM 0 HA LYS A 724 10.161 8.527 -2.525 1.00 0.52 H new ATOM 0 HB2 LYS A 724 10.406 8.453 -5.030 1.00 0.67 H new ATOM 0 HB3 LYS A 724 11.918 8.678 -4.174 1.00 0.67 H new ATOM 0 HG2 LYS A 724 11.776 5.915 -4.396 1.00 1.41 H new ATOM 0 HG3 LYS A 724 11.040 6.448 -5.894 1.00 1.41 H new ATOM 0 HD2 LYS A 724 13.504 6.166 -6.105 1.00 1.48 H new ATOM 0 HD3 LYS A 724 12.994 7.808 -6.445 1.00 1.48 H new ATOM 0 HE2 LYS A 724 13.625 8.515 -4.168 1.00 0.91 H new ATOM 0 HE3 LYS A 724 14.039 6.866 -3.743 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 15.995 8.146 -4.295 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 15.780 6.898 -5.426 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 15.378 8.496 -5.838 1.00 1.46 H new ATOM 752 N PRO A 725 7.991 7.578 -3.319 1.00 0.52 N ATOM 753 CA PRO A 725 6.620 7.029 -3.444 1.00 0.54 C ATOM 754 C PRO A 725 6.460 5.988 -4.546 1.00 0.49 C ATOM 755 O PRO A 725 5.568 5.144 -4.504 1.00 0.54 O ATOM 756 CB PRO A 725 5.779 8.261 -3.764 1.00 0.68 C ATOM 757 CG PRO A 725 6.501 9.387 -3.116 1.00 0.83 C ATOM 758 CD PRO A 725 7.965 9.051 -3.199 1.00 0.67 C ATOM 0 HA PRO A 725 6.332 6.499 -2.536 1.00 0.54 H new ATOM 0 HB2 PRO A 725 5.692 8.413 -4.840 1.00 0.68 H new ATOM 0 HB3 PRO A 725 4.766 8.162 -3.373 1.00 0.68 H new ATOM 0 HG2 PRO A 725 6.288 10.328 -3.623 1.00 0.83 H new ATOM 0 HG3 PRO A 725 6.187 9.505 -2.079 1.00 0.83 H new ATOM 0 HD2 PRO A 725 8.436 9.529 -4.058 1.00 0.67 H new ATOM 0 HD3 PRO A 725 8.502 9.388 -2.313 1.00 0.67 H new ATOM 766 N GLU A 726 7.314 6.085 -5.535 1.00 0.44 N ATOM 767 CA GLU A 726 7.228 5.292 -6.749 1.00 0.48 C ATOM 768 C GLU A 726 7.382 3.794 -6.531 1.00 0.51 C ATOM 769 O GLU A 726 7.167 3.019 -7.451 1.00 0.62 O ATOM 770 CB GLU A 726 8.323 5.714 -7.701 1.00 0.45 C ATOM 771 CG GLU A 726 8.838 7.112 -7.456 1.00 0.67 C ATOM 772 CD GLU A 726 9.863 7.537 -8.481 1.00 1.53 C ATOM 773 OE1 GLU A 726 9.534 8.383 -9.335 1.00 2.38 O ATOM 774 OE2 GLU A 726 11.001 7.025 -8.436 1.00 1.89 O ATOM 0 H GLU A 726 8.106 6.728 -5.524 1.00 0.44 H new ATOM 0 HA GLU A 726 6.228 5.472 -7.143 1.00 0.48 H new ATOM 0 HB2 GLU A 726 9.153 5.012 -7.620 1.00 0.45 H new ATOM 0 HB3 GLU A 726 7.949 5.649 -8.723 1.00 0.45 H new ATOM 0 HG2 GLU A 726 8.002 7.812 -7.470 1.00 0.67 H new ATOM 0 HG3 GLU A 726 9.280 7.164 -6.461 1.00 0.67 H new ATOM 781 N ASN A 727 7.758 3.377 -5.345 1.00 0.45 N ATOM 782 CA ASN A 727 8.194 1.994 -5.162 1.00 0.48 C ATOM 783 C ASN A 727 7.063 0.985 -5.023 1.00 0.48 C ATOM 784 O ASN A 727 7.284 -0.217 -5.199 1.00 0.52 O ATOM 785 CB ASN A 727 8.994 1.888 -3.887 1.00 0.51 C ATOM 786 CG ASN A 727 10.383 2.426 -3.977 1.00 1.11 C ATOM 787 OD1 ASN A 727 11.252 1.909 -3.305 1.00 1.74 O ATOM 788 ND2 ASN A 727 10.612 3.449 -4.787 1.00 1.84 N ATOM 0 H ASN A 727 7.775 3.953 -4.503 1.00 0.45 H new ATOM 0 HA ASN A 727 8.761 1.758 -6.062 1.00 0.48 H new ATOM 0 HB2 ASN A 727 8.464 2.418 -3.096 1.00 0.51 H new ATOM 0 HB3 ASN A 727 9.043 0.840 -3.591 1.00 0.51 H new ATOM 0 HD21 ASN A 727 11.552 3.836 -4.866 1.00 1.84 H new ATOM 0 HD22 ASN A 727 9.848 3.849 -5.332 1.00 1.84 H new ATOM 795 N LEU A 728 5.882 1.435 -4.661 1.00 0.48 N ATOM 796 CA LEU A 728 4.807 0.506 -4.356 1.00 0.47 C ATOM 797 C LEU A 728 3.523 0.820 -5.134 1.00 0.47 C ATOM 798 O LEU A 728 3.056 1.954 -5.102 1.00 0.63 O ATOM 799 CB LEU A 728 4.575 0.691 -2.862 1.00 0.70 C ATOM 800 CG LEU A 728 5.479 1.768 -2.296 1.00 1.26 C ATOM 801 CD1 LEU A 728 4.839 3.138 -2.384 1.00 1.83 C ATOM 802 CD2 LEU A 728 5.945 1.486 -0.900 1.00 1.87 C ATOM 0 H LEU A 728 5.640 2.422 -4.570 1.00 0.48 H new ATOM 0 HA LEU A 728 5.071 -0.514 -4.635 1.00 0.47 H new ATOM 0 HB2 LEU A 728 3.533 0.956 -2.683 1.00 0.70 H new ATOM 0 HB3 LEU A 728 4.758 -0.250 -2.344 1.00 0.70 H new ATOM 0 HG LEU A 728 6.369 1.761 -2.925 1.00 1.26 H new ATOM 0 HD11 LEU A 728 5.517 3.884 -1.969 1.00 1.83 H new ATOM 0 HD12 LEU A 728 4.632 3.377 -3.427 1.00 1.83 H new ATOM 0 HD13 LEU A 728 3.907 3.141 -1.820 1.00 1.83 H new ATOM 0 HD21 LEU A 728 6.587 2.298 -0.560 1.00 1.87 H new ATOM 0 HD22 LEU A 728 5.083 1.404 -0.238 1.00 1.87 H new ATOM 0 HD23 LEU A 728 6.504 0.551 -0.885 1.00 1.87 H new ATOM 814 N ARG A 729 2.959 -0.166 -5.852 1.00 0.36 N ATOM 815 CA ARG A 729 1.549 -0.092 -6.260 1.00 0.41 C ATOM 816 C ARG A 729 0.952 -1.499 -6.443 1.00 0.32 C ATOM 817 O ARG A 729 1.405 -2.282 -7.273 1.00 0.34 O ATOM 818 CB ARG A 729 1.388 0.751 -7.547 1.00 0.56 C ATOM 819 CG ARG A 729 1.651 0.016 -8.864 1.00 0.70 C ATOM 820 CD ARG A 729 3.039 -0.600 -8.928 1.00 0.54 C ATOM 821 NE ARG A 729 4.088 0.410 -9.024 1.00 1.21 N ATOM 822 CZ ARG A 729 5.382 0.152 -8.867 1.00 1.75 C ATOM 823 NH1 ARG A 729 5.793 -1.061 -8.506 1.00 2.18 N ATOM 824 NH2 ARG A 729 6.268 1.116 -9.056 1.00 2.58 N ATOM 0 H ARG A 729 3.448 -1.008 -6.156 1.00 0.36 H new ATOM 0 HA ARG A 729 0.996 0.405 -5.463 1.00 0.41 H new ATOM 0 HB2 ARG A 729 0.374 1.150 -7.572 1.00 0.56 H new ATOM 0 HB3 ARG A 729 2.065 1.603 -7.487 1.00 0.56 H new ATOM 0 HG2 ARG A 729 0.904 -0.768 -8.993 1.00 0.70 H new ATOM 0 HG3 ARG A 729 1.529 0.712 -9.694 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.205 -1.210 -8.040 1.00 0.54 H new ATOM 0 HD3 ARG A 729 3.099 -1.266 -9.788 1.00 0.54 H new ATOM 0 HE ARG A 729 3.811 1.371 -9.224 1.00 1.21 H new ATOM 0 HH11 ARG A 729 5.112 -1.804 -8.347 1.00 2.18 H new ATOM 0 HH12 ARG A 729 6.789 -1.248 -8.388 1.00 2.18 H new ATOM 0 HH21 ARG A 729 5.956 2.050 -9.321 1.00 2.58 H new ATOM 0 HH22 ARG A 729 7.263 0.925 -8.937 1.00 2.58 H new ATOM 838 N LEU A 730 0.035 -1.872 -5.582 1.00 0.32 N ATOM 839 CA LEU A 730 -0.876 -2.980 -5.827 1.00 0.34 C ATOM 840 C LEU A 730 -2.053 -2.843 -4.906 1.00 0.42 C ATOM 841 O LEU A 730 -1.811 -2.892 -3.722 1.00 0.73 O ATOM 842 CB LEU A 730 -0.209 -4.308 -5.540 1.00 0.37 C ATOM 843 CG LEU A 730 -1.041 -5.520 -5.951 1.00 0.53 C ATOM 844 CD1 LEU A 730 -1.272 -5.528 -7.455 1.00 1.23 C ATOM 845 CD2 LEU A 730 -0.368 -6.796 -5.505 1.00 1.22 C ATOM 0 H LEU A 730 -0.106 -1.415 -4.681 1.00 0.32 H new ATOM 0 HA LEU A 730 -1.180 -2.953 -6.873 1.00 0.34 H new ATOM 0 HB2 LEU A 730 0.748 -4.343 -6.061 1.00 0.37 H new ATOM 0 HB3 LEU A 730 0.006 -4.372 -4.473 1.00 0.37 H new ATOM 0 HG LEU A 730 -2.012 -5.455 -5.460 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -1.867 -6.400 -7.727 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.802 -4.621 -7.746 1.00 1.23 H new ATOM 0 HD13 LEU A 730 -0.312 -5.568 -7.970 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.974 -7.651 -5.806 1.00 1.22 H new ATOM 0 HD22 LEU A 730 0.617 -6.869 -5.967 1.00 1.22 H new ATOM 0 HD23 LEU A 730 -0.261 -6.791 -4.420 1.00 1.22 H new ATOM 857 N ALA A 731 -3.293 -2.738 -5.336 1.00 0.34 N ATOM 858 CA ALA A 731 -4.321 -2.741 -4.337 1.00 0.37 C ATOM 859 C ALA A 731 -5.281 -3.895 -4.552 1.00 0.37 C ATOM 860 O ALA A 731 -6.034 -3.907 -5.514 1.00 0.50 O ATOM 861 CB ALA A 731 -5.044 -1.408 -4.366 1.00 0.46 C ATOM 0 H ALA A 731 -3.595 -2.655 -6.307 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.871 -2.878 -3.354 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -5.828 -1.403 -3.609 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.336 -0.605 -4.161 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.489 -1.257 -5.350 1.00 0.46 H new ATOM 867 N GLU A 732 -5.340 -4.801 -3.585 1.00 0.39 N ATOM 868 CA GLU A 732 -6.196 -5.957 -3.689 1.00 0.46 C ATOM 869 C GLU A 732 -7.114 -6.090 -2.505 1.00 0.57 C ATOM 870 O GLU A 732 -6.676 -6.196 -1.373 1.00 0.66 O ATOM 871 CB GLU A 732 -5.340 -7.205 -3.823 1.00 0.66 C ATOM 872 CG GLU A 732 -4.438 -7.506 -2.638 1.00 0.76 C ATOM 873 CD GLU A 732 -3.688 -8.805 -2.817 1.00 0.78 C ATOM 874 OE1 GLU A 732 -2.635 -8.800 -3.484 1.00 1.02 O ATOM 875 OE2 GLU A 732 -4.132 -9.835 -2.262 1.00 1.19 O ATOM 0 H GLU A 732 -4.801 -4.750 -2.721 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.822 -5.833 -4.572 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -5.997 -8.060 -3.985 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -4.720 -7.106 -4.714 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -3.726 -6.691 -2.507 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -5.037 -7.555 -1.729 1.00 0.76 H new ATOM 882 N VAL A 733 -8.394 -6.160 -2.783 1.00 0.69 N ATOM 883 CA VAL A 733 -9.379 -6.127 -1.728 1.00 0.90 C ATOM 884 C VAL A 733 -9.591 -7.517 -1.166 1.00 1.17 C ATOM 885 O VAL A 733 -9.816 -8.454 -1.918 1.00 1.35 O ATOM 886 CB VAL A 733 -10.725 -5.577 -2.224 1.00 1.19 C ATOM 887 CG1 VAL A 733 -11.390 -4.819 -1.108 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.554 -4.701 -3.458 1.00 1.64 C ATOM 0 H VAL A 733 -8.777 -6.240 -3.725 1.00 0.69 H new ATOM 0 HA VAL A 733 -8.999 -5.464 -0.951 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.359 -6.413 -2.519 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -12.346 -4.426 -1.454 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -11.557 -5.487 -0.263 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -10.750 -3.994 -0.797 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -11.528 -4.331 -3.779 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -9.906 -3.858 -3.219 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -10.106 -5.287 -4.261 1.00 1.64 H new ATOM 898 N ILE A 734 -9.533 -7.664 0.148 1.00 1.30 N ATOM 899 CA ILE A 734 -9.720 -8.975 0.731 1.00 1.65 C ATOM 900 C ILE A 734 -11.040 -9.033 1.462 1.00 1.93 C ATOM 901 O ILE A 734 -11.287 -8.290 2.414 1.00 2.17 O ATOM 902 CB ILE A 734 -8.571 -9.365 1.682 1.00 1.81 C ATOM 903 CG1 ILE A 734 -7.223 -8.985 1.063 1.00 1.91 C ATOM 904 CG2 ILE A 734 -8.623 -10.854 1.991 1.00 2.43 C ATOM 905 CD1 ILE A 734 -6.034 -9.322 1.936 1.00 2.42 C ATOM 0 H ILE A 734 -9.362 -6.910 0.814 1.00 1.30 H new ATOM 0 HA ILE A 734 -9.720 -9.695 -0.087 1.00 1.65 H new ATOM 0 HB ILE A 734 -8.686 -8.819 2.618 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -7.116 -9.496 0.106 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -7.218 -7.915 0.855 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -7.806 -11.115 2.663 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -9.574 -11.094 2.466 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -8.526 -11.421 1.065 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -5.115 -9.024 1.431 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -6.116 -8.790 2.884 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -6.013 -10.396 2.123 1.00 2.42 H new ATOM 917 N LYS A 735 -11.857 -9.947 0.974 1.00 2.29 N ATOM 918 CA LYS A 735 -13.254 -10.109 1.328 1.00 2.61 C ATOM 919 C LYS A 735 -13.870 -10.894 0.184 1.00 2.77 C ATOM 920 O LYS A 735 -13.166 -11.657 -0.478 1.00 2.76 O ATOM 921 CB LYS A 735 -13.965 -8.760 1.498 1.00 2.76 C ATOM 922 CG LYS A 735 -14.262 -8.405 2.950 1.00 3.27 C ATOM 923 CD LYS A 735 -14.674 -6.948 3.091 1.00 3.69 C ATOM 924 CE LYS A 735 -13.530 -6.013 2.723 1.00 3.70 C ATOM 925 NZ LYS A 735 -13.939 -4.584 2.762 1.00 4.16 N ATOM 0 H LYS A 735 -11.548 -10.632 0.284 1.00 2.29 H new ATOM 0 HA LYS A 735 -13.356 -10.620 2.285 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -13.348 -7.976 1.060 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -14.900 -8.779 0.939 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -15.057 -9.048 3.328 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -13.380 -8.596 3.561 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -15.532 -6.747 2.450 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -14.990 -6.754 4.116 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -12.699 -6.170 3.410 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -13.169 -6.259 1.724 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -13.274 -4.017 2.198 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -14.897 -4.486 2.369 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -13.933 -4.248 3.746 1.00 4.16 H new ATOM 939 N ASN A 736 -15.153 -10.719 -0.066 1.00 3.04 N ATOM 940 CA ASN A 736 -15.757 -11.291 -1.262 1.00 3.32 C ATOM 941 C ASN A 736 -15.199 -10.618 -2.520 1.00 3.14 C ATOM 942 O ASN A 736 -15.383 -11.113 -3.632 1.00 3.36 O ATOM 943 CB ASN A 736 -17.282 -11.181 -1.222 1.00 3.66 C ATOM 944 CG ASN A 736 -17.897 -12.050 -0.140 1.00 4.18 C ATOM 945 OD1 ASN A 736 -18.962 -11.740 0.389 1.00 4.64 O ATOM 946 ND2 ASN A 736 -17.235 -13.149 0.196 1.00 4.60 N ATOM 0 H ASN A 736 -15.792 -10.194 0.531 1.00 3.04 H new ATOM 0 HA ASN A 736 -15.501 -12.350 -1.292 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -17.564 -10.142 -1.054 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -17.690 -11.469 -2.191 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -17.607 -13.769 0.915 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -16.353 -13.374 -0.265 1.00 4.60 H new ATOM 953 N ARG A 737 -14.528 -9.477 -2.336 1.00 2.79 N ATOM 954 CA ARG A 737 -13.871 -8.781 -3.445 1.00 2.61 C ATOM 955 C ARG A 737 -12.775 -9.667 -4.038 1.00 2.47 C ATOM 956 O ARG A 737 -12.770 -9.937 -5.238 1.00 3.05 O ATOM 957 CB ARG A 737 -13.279 -7.446 -2.995 1.00 2.49 C ATOM 958 CG ARG A 737 -14.109 -6.704 -1.962 1.00 2.59 C ATOM 959 CD ARG A 737 -15.511 -6.396 -2.474 1.00 3.00 C ATOM 960 NE ARG A 737 -16.330 -5.716 -1.468 1.00 3.54 N ATOM 961 CZ ARG A 737 -17.660 -5.633 -1.520 1.00 4.23 C ATOM 962 NH1 ARG A 737 -18.320 -6.122 -2.561 1.00 4.51 N ATOM 963 NH2 ARG A 737 -18.321 -5.041 -0.536 1.00 4.95 N ATOM 0 H ARG A 737 -14.426 -9.017 -1.431 1.00 2.79 H new ATOM 0 HA ARG A 737 -14.623 -8.573 -4.206 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -12.285 -7.624 -2.584 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -13.153 -6.806 -3.868 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -14.178 -7.302 -1.054 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -13.608 -5.774 -1.694 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -15.442 -5.773 -3.365 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -16.000 -7.324 -2.771 1.00 3.00 H new ATOM 0 HE ARG A 737 -15.854 -5.279 -0.679 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -17.810 -6.564 -3.326 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -19.337 -6.056 -2.597 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -17.813 -4.651 0.257 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -19.338 -4.975 -0.572 1.00 4.95 H new ATOM 977 N PHE A 738 -11.858 -10.111 -3.179 1.00 2.24 N ATOM 978 CA PHE A 738 -10.833 -11.095 -3.541 1.00 2.27 C ATOM 979 C PHE A 738 -9.817 -10.535 -4.543 1.00 2.12 C ATOM 980 O PHE A 738 -10.005 -10.627 -5.761 1.00 2.16 O ATOM 981 CB PHE A 738 -11.485 -12.373 -4.087 1.00 2.70 C ATOM 982 CG PHE A 738 -10.532 -13.524 -4.257 1.00 3.11 C ATOM 983 CD1 PHE A 738 -10.078 -13.884 -5.515 1.00 3.38 C ATOM 984 CD2 PHE A 738 -10.079 -14.237 -3.158 1.00 3.68 C ATOM 985 CE1 PHE A 738 -9.195 -14.934 -5.676 1.00 4.26 C ATOM 986 CE2 PHE A 738 -9.197 -15.290 -3.312 1.00 4.52 C ATOM 987 CZ PHE A 738 -8.787 -15.666 -4.570 1.00 4.83 C ATOM 0 H PHE A 738 -11.803 -9.799 -2.209 1.00 2.24 H new ATOM 0 HA PHE A 738 -10.283 -11.338 -2.632 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -12.287 -12.675 -3.413 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -11.945 -12.151 -5.050 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -10.419 -13.337 -6.381 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -10.419 -13.966 -2.169 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -8.824 -15.184 -6.659 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -8.830 -15.818 -2.444 1.00 4.52 H new ATOM 0 HZ PHE A 738 -8.149 -16.528 -4.697 1.00 4.83 H new ATOM 997 N HIS A 739 -8.741 -9.954 -4.000 1.00 2.05 N ATOM 998 CA HIS A 739 -7.603 -9.458 -4.785 1.00 2.04 C ATOM 999 C HIS A 739 -7.943 -8.201 -5.582 1.00 1.03 C ATOM 1000 O HIS A 739 -9.045 -7.670 -5.449 1.00 1.01 O ATOM 1001 CB HIS A 739 -7.054 -10.531 -5.732 1.00 2.97 C ATOM 1002 CG HIS A 739 -6.145 -11.516 -5.072 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -4.775 -11.374 -5.044 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -6.413 -12.671 -4.423 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -4.242 -12.400 -4.409 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -5.214 -13.203 -4.021 1.00 5.71 N ATOM 0 H HIS A 739 -8.634 -9.813 -2.995 1.00 2.05 H new ATOM 0 HA HIS A 739 -6.834 -9.200 -4.057 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -7.890 -11.067 -6.180 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -6.516 -10.043 -6.545 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -7.391 -13.097 -4.252 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -3.187 -12.556 -4.236 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -5.094 -14.076 -3.507 1.00 5.71 H new ATOM 1015 N ARG A 740 -6.910 -7.698 -6.296 1.00 0.94 N ATOM 1016 CA ARG A 740 -6.985 -6.622 -7.312 1.00 1.03 C ATOM 1017 C ARG A 740 -5.657 -5.846 -7.374 1.00 0.82 C ATOM 1018 O ARG A 740 -4.646 -6.263 -6.798 1.00 1.05 O ATOM 1019 CB ARG A 740 -8.141 -5.633 -7.089 1.00 2.21 C ATOM 1020 CG ARG A 740 -9.445 -6.073 -7.740 1.00 3.05 C ATOM 1021 CD ARG A 740 -10.548 -5.052 -7.541 1.00 4.00 C ATOM 1022 NE ARG A 740 -11.867 -5.635 -7.772 1.00 4.84 N ATOM 1023 CZ ARG A 740 -12.743 -5.188 -8.666 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -12.393 -4.248 -9.536 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -13.960 -5.720 -8.718 1.00 6.71 N ATOM 0 H ARG A 740 -5.959 -8.046 -6.175 1.00 0.94 H new ATOM 0 HA ARG A 740 -7.178 -7.126 -8.259 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -8.302 -5.508 -6.018 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -7.857 -4.658 -7.484 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -9.284 -6.230 -8.806 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -9.756 -7.030 -7.320 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -10.498 -4.654 -6.528 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -10.396 -4.214 -8.221 1.00 4.00 H new ATOM 0 HE ARG A 740 -12.135 -6.442 -7.208 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -11.448 -3.865 -9.520 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -13.069 -3.909 -10.220 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -14.218 -6.468 -8.074 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -14.636 -5.381 -9.402 1.00 6.71 H new ATOM 1039 N VAL A 741 -5.730 -4.655 -7.966 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.582 -3.851 -8.371 1.00 0.46 C ATOM 1041 C VAL A 741 -4.772 -2.437 -7.837 1.00 0.43 C ATOM 1042 O VAL A 741 -5.863 -2.086 -7.445 1.00 0.46 O ATOM 1043 CB VAL A 741 -4.441 -3.800 -9.902 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -4.065 -5.165 -10.453 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -5.719 -3.286 -10.551 1.00 1.06 C ATOM 0 H VAL A 741 -6.621 -4.210 -8.184 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.677 -4.304 -7.966 1.00 0.46 H new ATOM 0 HB VAL A 741 -3.639 -3.103 -10.144 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -3.970 -5.106 -11.537 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -3.115 -5.482 -10.023 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -4.839 -5.887 -10.195 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -5.592 -3.260 -11.633 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -6.547 -3.948 -10.298 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -5.934 -2.281 -10.186 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.717 -1.653 -7.707 1.00 0.42 N ATOM 1056 CA PHE A 742 -3.872 -0.330 -7.128 1.00 0.42 C ATOM 1057 C PHE A 742 -4.594 0.579 -8.101 1.00 0.45 C ATOM 1058 O PHE A 742 -4.035 1.021 -9.104 1.00 0.55 O ATOM 1059 CB PHE A 742 -2.514 0.247 -6.745 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.573 1.257 -5.638 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -2.010 0.950 -4.418 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -3.186 2.493 -5.802 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -2.049 1.851 -3.374 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -3.229 3.399 -4.761 1.00 0.75 C ATOM 1065 CZ PHE A 742 -2.660 3.078 -3.547 1.00 1.13 C ATOM 0 H PHE A 742 -2.767 -1.899 -7.986 1.00 0.42 H new ATOM 0 HA PHE A 742 -4.471 -0.408 -6.220 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -1.855 -0.568 -6.445 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -2.067 0.711 -7.624 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -1.532 -0.008 -4.277 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -3.633 2.747 -6.752 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -1.603 1.598 -2.424 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.708 4.358 -4.898 1.00 0.75 H new ATOM 0 HZ PHE A 742 -2.692 3.785 -2.732 1.00 1.13 H new ATOM 1075 N LEU A 743 -5.842 0.846 -7.775 1.00 0.48 N ATOM 1076 CA LEU A 743 -6.698 1.664 -8.601 1.00 0.61 C ATOM 1077 C LEU A 743 -6.641 3.128 -8.177 1.00 0.55 C ATOM 1078 O LEU A 743 -6.287 3.434 -7.031 1.00 0.48 O ATOM 1079 CB LEU A 743 -8.141 1.155 -8.531 1.00 0.78 C ATOM 1080 CG LEU A 743 -8.357 -0.285 -9.005 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -9.795 -0.712 -8.764 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -8.004 -0.417 -10.478 1.00 1.67 C ATOM 0 H LEU A 743 -6.290 0.500 -6.927 1.00 0.48 H new ATOM 0 HA LEU A 743 -6.340 1.594 -9.628 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -8.486 1.235 -7.500 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -8.770 1.814 -9.130 1.00 0.78 H new ATOM 0 HG LEU A 743 -7.701 -0.940 -8.432 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -9.932 -1.738 -9.106 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -10.019 -0.652 -7.699 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -10.467 -0.053 -9.314 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -8.163 -1.446 -10.799 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -8.637 0.248 -11.065 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -6.958 -0.148 -10.627 1.00 1.67 H new ATOM 1094 N PRO A 744 -6.991 4.044 -9.098 1.00 0.66 N ATOM 1095 CA PRO A 744 -7.230 5.465 -8.790 1.00 0.67 C ATOM 1096 C PRO A 744 -8.163 5.636 -7.590 1.00 0.62 C ATOM 1097 O PRO A 744 -8.758 4.654 -7.135 1.00 0.64 O ATOM 1098 CB PRO A 744 -7.886 5.997 -10.063 1.00 0.80 C ATOM 1099 CG PRO A 744 -7.349 5.131 -11.145 1.00 1.06 C ATOM 1100 CD PRO A 744 -7.172 3.766 -10.537 1.00 0.83 C ATOM 0 HA PRO A 744 -6.314 5.991 -8.521 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -8.973 5.934 -10.006 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -7.636 7.044 -10.231 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -8.035 5.095 -11.992 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -6.401 5.517 -11.519 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -8.041 3.132 -10.716 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -6.309 3.250 -10.957 1.00 0.83 H new ATOM 1108 N SER A 745 -8.270 6.868 -7.074 1.00 0.64 N ATOM 1109 CA SER A 745 -9.013 7.158 -5.836 1.00 0.67 C ATOM 1110 C SER A 745 -10.267 6.292 -5.705 1.00 0.73 C ATOM 1111 O SER A 745 -11.268 6.492 -6.394 1.00 0.78 O ATOM 1112 CB SER A 745 -9.379 8.641 -5.792 1.00 0.74 C ATOM 1113 OG SER A 745 -8.216 9.450 -5.887 1.00 1.20 O ATOM 0 H SER A 745 -7.845 7.691 -7.501 1.00 0.64 H new ATOM 0 HA SER A 745 -8.368 6.917 -4.991 1.00 0.67 H new ATOM 0 HB2 SER A 745 -10.059 8.877 -6.610 1.00 0.74 H new ATOM 0 HB3 SER A 745 -9.907 8.863 -4.865 1.00 0.74 H new ATOM 0 HG SER A 745 -8.472 10.396 -5.859 1.00 1.20 H new ATOM 1119 N HIS A 746 -10.180 5.316 -4.805 1.00 0.81 N ATOM 1120 CA HIS A 746 -11.140 4.226 -4.753 1.00 0.91 C ATOM 1121 C HIS A 746 -11.894 4.188 -3.426 1.00 0.96 C ATOM 1122 O HIS A 746 -11.289 4.167 -2.356 1.00 1.15 O ATOM 1123 CB HIS A 746 -10.426 2.892 -5.045 1.00 1.10 C ATOM 1124 CG HIS A 746 -9.203 2.608 -4.214 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -7.925 2.898 -4.649 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -9.056 2.014 -3.005 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -7.050 2.495 -3.746 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -7.708 1.953 -2.736 1.00 3.89 N ATOM 0 H HIS A 746 -9.447 5.261 -4.098 1.00 0.81 H new ATOM 0 HA HIS A 746 -11.893 4.394 -5.523 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -11.139 2.080 -4.898 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -10.139 2.878 -6.096 1.00 1.10 H new ATOM 0 HD1 HIS A 746 -7.693 3.353 -5.532 1.00 2.92 H new ATOM 0 HD2 HIS A 746 -9.851 1.654 -2.369 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -5.977 2.592 -3.820 1.00 3.88 H new ATOM 1137 N SER A 747 -13.221 4.131 -3.540 1.00 0.93 N ATOM 1138 CA SER A 747 -14.176 4.246 -2.425 1.00 1.06 C ATOM 1139 C SER A 747 -13.979 3.205 -1.309 1.00 1.39 C ATOM 1140 O SER A 747 -14.684 3.232 -0.302 1.00 1.67 O ATOM 1141 CB SER A 747 -15.592 4.135 -2.985 1.00 1.10 C ATOM 1142 OG SER A 747 -15.728 4.938 -4.145 1.00 1.34 O ATOM 0 H SER A 747 -13.682 3.999 -4.440 1.00 0.93 H new ATOM 0 HA SER A 747 -13.999 5.215 -1.958 1.00 1.06 H new ATOM 0 HB2 SER A 747 -15.814 3.096 -3.226 1.00 1.10 H new ATOM 0 HB3 SER A 747 -16.314 4.449 -2.231 1.00 1.10 H new ATOM 0 HG SER A 747 -16.640 4.856 -4.495 1.00 1.34 H new ATOM 1148 N LEU A 748 -13.047 2.285 -1.499 1.00 1.54 N ATOM 1149 CA LEU A 748 -12.803 1.190 -0.555 1.00 1.97 C ATOM 1150 C LEU A 748 -12.220 1.680 0.783 1.00 1.72 C ATOM 1151 O LEU A 748 -11.720 0.883 1.570 1.00 2.07 O ATOM 1152 CB LEU A 748 -11.858 0.147 -1.172 1.00 2.49 C ATOM 1153 CG LEU A 748 -12.447 -0.738 -2.283 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -13.724 -1.417 -1.812 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -12.700 0.062 -3.554 1.00 3.52 C ATOM 0 H LEU A 748 -12.433 2.271 -2.313 1.00 1.54 H new ATOM 0 HA LEU A 748 -13.773 0.737 -0.348 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -10.990 0.669 -1.575 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -11.497 -0.502 -0.374 1.00 2.49 H new ATOM 0 HG LEU A 748 -11.713 -1.509 -2.516 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -14.123 -2.038 -2.614 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -13.506 -2.040 -0.945 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -14.459 -0.660 -1.539 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -13.116 -0.593 -4.319 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -13.404 0.867 -3.343 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -11.761 0.485 -3.910 1.00 3.52 H new ATOM 1167 N ASP A 749 -12.261 2.988 1.031 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.714 3.574 2.263 1.00 0.97 C ATOM 1169 C ASP A 749 -12.602 3.302 3.485 1.00 0.91 C ATOM 1170 O ASP A 749 -12.589 4.063 4.453 1.00 1.13 O ATOM 1171 CB ASP A 749 -11.501 5.083 2.097 1.00 0.85 C ATOM 1172 CG ASP A 749 -12.787 5.858 1.869 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -13.279 5.876 0.721 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -13.286 6.485 2.823 1.00 1.85 O ATOM 0 H ASP A 749 -12.670 3.670 0.392 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.753 3.091 2.441 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -11.006 5.471 2.987 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -10.829 5.256 1.257 1.00 0.85 H new ATOM 1179 N THR A 750 -13.351 2.211 3.446 1.00 1.03 N ATOM 1180 CA THR A 750 -14.153 1.798 4.584 1.00 1.16 C ATOM 1181 C THR A 750 -13.273 1.063 5.597 1.00 1.58 C ATOM 1182 O THR A 750 -12.229 0.512 5.240 1.00 2.13 O ATOM 1183 CB THR A 750 -15.330 0.894 4.139 1.00 1.60 C ATOM 1184 OG1 THR A 750 -16.209 0.630 5.244 1.00 2.42 O ATOM 1185 CG2 THR A 750 -14.830 -0.424 3.562 1.00 2.13 C ATOM 0 H THR A 750 -13.419 1.595 2.636 1.00 1.03 H new ATOM 0 HA THR A 750 -14.573 2.689 5.051 1.00 1.16 H new ATOM 0 HB THR A 750 -15.876 1.428 3.362 1.00 1.60 H new ATOM 0 HG1 THR A 750 -16.948 0.059 4.945 1.00 2.42 H new ATOM 0 HG21 THR A 750 -15.681 -1.035 3.260 1.00 2.13 H new ATOM 0 HG22 THR A 750 -14.199 -0.226 2.695 1.00 2.13 H new ATOM 0 HG23 THR A 750 -14.252 -0.956 4.318 1.00 2.13 H new ATOM 1193 N VAL A 751 -13.691 1.064 6.855 1.00 1.82 N ATOM 1194 CA VAL A 751 -12.888 0.494 7.927 1.00 2.44 C ATOM 1195 C VAL A 751 -12.839 -1.031 7.834 1.00 2.14 C ATOM 1196 O VAL A 751 -13.775 -1.728 8.232 1.00 2.27 O ATOM 1197 CB VAL A 751 -13.425 0.911 9.313 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -12.550 0.354 10.425 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -13.520 2.427 9.417 1.00 4.17 C ATOM 0 H VAL A 751 -14.583 1.454 7.158 1.00 1.82 H new ATOM 0 HA VAL A 751 -11.877 0.885 7.810 1.00 2.44 H new ATOM 0 HB VAL A 751 -14.425 0.493 9.427 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -12.950 0.662 11.391 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -12.538 -0.734 10.368 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -11.535 0.735 10.314 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -13.900 2.701 10.401 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -12.532 2.864 9.275 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -14.196 2.803 8.649 1.00 4.17 H new ATOM 1209 N SER A 752 -11.751 -1.532 7.269 1.00 2.23 N ATOM 1210 CA SER A 752 -11.491 -2.960 7.194 1.00 2.12 C ATOM 1211 C SER A 752 -9.985 -3.201 7.169 1.00 2.30 C ATOM 1212 O SER A 752 -9.309 -2.789 6.231 1.00 2.26 O ATOM 1213 CB SER A 752 -12.136 -3.560 5.940 1.00 2.47 C ATOM 1214 OG SER A 752 -13.538 -3.340 5.921 1.00 2.95 O ATOM 0 H SER A 752 -11.021 -0.957 6.848 1.00 2.23 H new ATOM 0 HA SER A 752 -11.924 -3.444 8.069 1.00 2.12 H new ATOM 0 HB2 SER A 752 -11.685 -3.119 5.051 1.00 2.47 H new ATOM 0 HB3 SER A 752 -11.934 -4.630 5.902 1.00 2.47 H new ATOM 0 HG SER A 752 -13.999 -4.185 5.740 1.00 2.95 H new ATOM 1220 N PRO A 753 -9.438 -3.842 8.216 1.00 2.99 N ATOM 1221 CA PRO A 753 -8.004 -4.152 8.300 1.00 3.72 C ATOM 1222 C PRO A 753 -7.544 -5.118 7.211 1.00 3.48 C ATOM 1223 O PRO A 753 -6.362 -5.191 6.890 1.00 3.96 O ATOM 1224 CB PRO A 753 -7.847 -4.798 9.684 1.00 4.69 C ATOM 1225 CG PRO A 753 -9.066 -4.397 10.438 1.00 4.49 C ATOM 1226 CD PRO A 753 -10.160 -4.286 9.415 1.00 3.44 C ATOM 0 HA PRO A 753 -7.397 -3.258 8.161 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -7.770 -5.883 9.607 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -6.942 -4.449 10.182 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -9.316 -5.136 11.199 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -8.914 -3.448 10.952 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -10.663 -5.240 9.255 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -10.924 -3.569 9.716 1.00 3.44 H new ATOM 1234 N SER A 754 -8.485 -5.874 6.663 1.00 2.99 N ATOM 1235 CA SER A 754 -8.181 -6.829 5.610 1.00 3.13 C ATOM 1236 C SER A 754 -8.534 -6.264 4.237 1.00 2.22 C ATOM 1237 O SER A 754 -8.486 -6.968 3.236 1.00 2.49 O ATOM 1238 CB SER A 754 -8.929 -8.139 5.865 1.00 3.71 C ATOM 1239 OG SER A 754 -8.693 -8.599 7.186 1.00 4.37 O ATOM 0 H SER A 754 -9.468 -5.843 6.932 1.00 2.99 H new ATOM 0 HA SER A 754 -7.109 -7.026 5.620 1.00 3.13 H new ATOM 0 HB2 SER A 754 -9.998 -7.990 5.711 1.00 3.71 H new ATOM 0 HB3 SER A 754 -8.606 -8.894 5.148 1.00 3.71 H new ATOM 0 HG SER A 754 -9.180 -9.437 7.333 1.00 4.37 H new ATOM 1245 N ASP A 755 -8.917 -4.998 4.202 1.00 1.48 N ATOM 1246 CA ASP A 755 -9.308 -4.349 2.955 1.00 0.96 C ATOM 1247 C ASP A 755 -8.118 -4.210 2.015 1.00 1.01 C ATOM 1248 O ASP A 755 -6.993 -4.496 2.407 1.00 1.88 O ATOM 1249 CB ASP A 755 -9.932 -2.983 3.213 1.00 1.69 C ATOM 1250 CG ASP A 755 -10.850 -2.554 2.090 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -10.409 -1.768 1.230 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -12.010 -3.001 2.073 1.00 2.95 O ATOM 0 H ASP A 755 -8.966 -4.396 5.024 1.00 1.48 H new ATOM 0 HA ASP A 755 -10.056 -4.984 2.480 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -10.492 -3.012 4.147 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -9.142 -2.242 3.338 1.00 1.69 H new ATOM 1257 N THR A 756 -8.392 -3.787 0.782 1.00 0.93 N ATOM 1258 CA THR A 756 -7.410 -3.761 -0.300 1.00 0.99 C ATOM 1259 C THR A 756 -5.966 -3.471 0.151 1.00 0.78 C ATOM 1260 O THR A 756 -5.605 -2.360 0.553 1.00 0.89 O ATOM 1261 CB THR A 756 -7.835 -2.774 -1.410 1.00 1.43 C ATOM 1262 OG1 THR A 756 -6.781 -2.599 -2.346 1.00 1.93 O ATOM 1263 CG2 THR A 756 -8.239 -1.423 -0.842 1.00 2.05 C ATOM 0 H THR A 756 -9.313 -3.449 0.503 1.00 0.93 H new ATOM 0 HA THR A 756 -7.398 -4.777 -0.695 1.00 0.99 H new ATOM 0 HB THR A 756 -8.702 -3.205 -1.910 1.00 1.43 H new ATOM 0 HG1 THR A 756 -7.154 -2.531 -3.250 1.00 1.93 H new ATOM 0 HG21 THR A 756 -8.531 -0.759 -1.656 1.00 2.05 H new ATOM 0 HG22 THR A 756 -9.079 -1.552 -0.160 1.00 2.05 H new ATOM 0 HG23 THR A 756 -7.397 -0.988 -0.303 1.00 2.05 H new ATOM 1271 N LEU A 757 -5.171 -4.530 0.066 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.764 -4.547 0.411 1.00 0.58 C ATOM 1273 C LEU A 757 -2.891 -4.254 -0.768 1.00 0.44 C ATOM 1274 O LEU A 757 -3.276 -4.467 -1.915 1.00 0.46 O ATOM 1275 CB LEU A 757 -3.415 -5.924 0.922 1.00 0.70 C ATOM 1276 CG LEU A 757 -3.053 -6.019 2.398 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -4.089 -5.338 3.268 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -2.911 -7.472 2.768 1.00 1.66 C ATOM 0 H LEU A 757 -5.508 -5.436 -0.259 1.00 0.68 H new ATOM 0 HA LEU A 757 -3.593 -3.777 1.163 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -4.261 -6.585 0.733 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -2.577 -6.304 0.338 1.00 0.70 H new ATOM 0 HG LEU A 757 -2.109 -5.502 2.568 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -3.799 -5.425 4.315 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -4.156 -4.285 2.997 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -5.058 -5.814 3.119 1.00 1.53 H new ATOM 0 HD21 LEU A 757 -2.652 -7.555 3.823 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -3.853 -7.988 2.584 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -2.125 -7.926 2.164 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.711 -3.767 -0.469 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.728 -3.546 -1.452 1.00 0.40 C ATOM 1292 C LEU A 758 0.419 -4.515 -1.255 1.00 0.35 C ATOM 1293 O LEU A 758 0.941 -4.739 -0.141 1.00 0.40 O ATOM 1294 CB LEU A 758 -0.338 -2.042 -1.434 1.00 0.54 C ATOM 1295 CG LEU A 758 1.042 -1.645 -1.963 1.00 0.60 C ATOM 1296 CD1 LEU A 758 1.402 -2.459 -3.161 1.00 1.19 C ATOM 1297 CD2 LEU A 758 1.088 -0.172 -2.341 1.00 1.13 C ATOM 0 H LEU A 758 -1.423 -3.517 0.477 1.00 0.39 H new ATOM 0 HA LEU A 758 -1.099 -3.751 -2.456 1.00 0.40 H new ATOM 0 HB2 LEU A 758 -1.085 -1.498 -2.012 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -0.413 -1.691 -0.405 1.00 0.54 H new ATOM 0 HG LEU A 758 1.758 -1.830 -1.162 1.00 0.60 H new ATOM 0 HD11 LEU A 758 2.387 -2.161 -3.521 1.00 1.19 H new ATOM 0 HD12 LEU A 758 1.419 -3.515 -2.892 1.00 1.19 H new ATOM 0 HD13 LEU A 758 0.664 -2.297 -3.946 1.00 1.19 H new ATOM 0 HD21 LEU A 758 2.082 0.077 -2.713 1.00 1.13 H new ATOM 0 HD22 LEU A 758 0.349 0.028 -3.117 1.00 1.13 H new ATOM 0 HD23 LEU A 758 0.866 0.436 -1.464 1.00 1.13 H new ATOM 1309 N CYS A 759 0.749 -5.136 -2.371 1.00 0.35 N ATOM 1310 CA CYS A 759 1.897 -6.011 -2.443 1.00 0.36 C ATOM 1311 C CYS A 759 2.791 -5.522 -3.576 1.00 0.36 C ATOM 1312 O CYS A 759 2.501 -5.730 -4.751 1.00 0.40 O ATOM 1313 CB CYS A 759 1.449 -7.437 -2.728 1.00 0.46 C ATOM 1314 SG CYS A 759 -0.021 -7.963 -1.815 1.00 1.55 S ATOM 0 H CYS A 759 0.232 -5.048 -3.246 1.00 0.35 H new ATOM 0 HA CYS A 759 2.437 -5.999 -1.496 1.00 0.36 H new ATOM 0 HB2 CYS A 759 1.252 -7.535 -3.795 1.00 0.46 H new ATOM 0 HB3 CYS A 759 2.269 -8.115 -2.492 1.00 0.46 H new ATOM 0 HG CYS A 759 0.307 -8.243 -0.589 1.00 1.55 H new ATOM 1320 N PHE A 760 3.871 -4.878 -3.217 1.00 0.36 N ATOM 1321 CA PHE A 760 4.726 -4.208 -4.162 1.00 0.41 C ATOM 1322 C PHE A 760 6.163 -4.598 -4.006 1.00 0.36 C ATOM 1323 O PHE A 760 6.573 -5.204 -3.010 1.00 0.50 O ATOM 1324 CB PHE A 760 4.643 -2.722 -3.982 1.00 0.68 C ATOM 1325 CG PHE A 760 5.023 -2.287 -2.607 1.00 1.79 C ATOM 1326 CD1 PHE A 760 4.065 -2.220 -1.635 1.00 2.53 C ATOM 1327 CD2 PHE A 760 6.316 -1.920 -2.301 1.00 2.16 C ATOM 1328 CE1 PHE A 760 4.358 -1.782 -0.372 1.00 3.60 C ATOM 1329 CE2 PHE A 760 6.627 -1.488 -1.032 1.00 3.23 C ATOM 1330 CZ PHE A 760 5.644 -1.416 -0.068 1.00 3.94 C ATOM 0 H PHE A 760 4.185 -4.803 -2.249 1.00 0.36 H new ATOM 0 HA PHE A 760 4.377 -4.506 -5.151 1.00 0.41 H new ATOM 0 HB2 PHE A 760 5.296 -2.235 -4.706 1.00 0.68 H new ATOM 0 HB3 PHE A 760 3.627 -2.390 -4.196 1.00 0.68 H new ATOM 0 HD1 PHE A 760 3.054 -2.519 -1.869 1.00 2.53 H new ATOM 0 HD2 PHE A 760 7.085 -1.972 -3.057 1.00 2.16 H new ATOM 0 HE1 PHE A 760 3.583 -1.725 0.378 1.00 3.60 H new ATOM 0 HE2 PHE A 760 7.641 -1.205 -0.791 1.00 3.23 H new ATOM 0 HZ PHE A 760 5.887 -1.071 0.926 1.00 3.94 H new ATOM 1340 N GLU A 761 6.906 -4.291 -5.027 1.00 0.35 N ATOM 1341 CA GLU A 761 8.333 -4.385 -4.933 1.00 0.40 C ATOM 1342 C GLU A 761 8.939 -3.009 -5.122 1.00 0.61 C ATOM 1343 O GLU A 761 8.798 -2.377 -6.169 1.00 0.79 O ATOM 1344 CB GLU A 761 8.927 -5.413 -5.888 1.00 0.52 C ATOM 1345 CG GLU A 761 8.533 -5.252 -7.346 1.00 1.26 C ATOM 1346 CD GLU A 761 8.919 -6.467 -8.165 1.00 1.49 C ATOM 1347 OE1 GLU A 761 10.126 -6.639 -8.454 1.00 1.96 O ATOM 1348 OE2 GLU A 761 8.025 -7.265 -8.509 1.00 1.88 O ATOM 0 H GLU A 761 6.551 -3.975 -5.930 1.00 0.35 H new ATOM 0 HA GLU A 761 8.584 -4.749 -3.937 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.014 -5.366 -5.816 1.00 0.52 H new ATOM 0 HB3 GLU A 761 8.628 -6.407 -5.556 1.00 0.52 H new ATOM 0 HG2 GLU A 761 7.457 -5.091 -7.417 1.00 1.26 H new ATOM 0 HG3 GLU A 761 9.016 -4.366 -7.758 1.00 1.26 H new ATOM 1355 N LEU A 762 9.570 -2.566 -4.062 1.00 0.89 N ATOM 1356 CA LEU A 762 10.315 -1.340 -4.001 1.00 1.28 C ATOM 1357 C LEU A 762 11.222 -1.104 -5.195 1.00 0.79 C ATOM 1358 O LEU A 762 11.790 -2.015 -5.800 1.00 0.89 O ATOM 1359 CB LEU A 762 11.181 -1.346 -2.741 1.00 2.07 C ATOM 1360 CG LEU A 762 10.444 -1.246 -1.407 1.00 3.10 C ATOM 1361 CD1 LEU A 762 9.440 -0.120 -1.447 1.00 3.72 C ATOM 1362 CD2 LEU A 762 9.764 -2.557 -1.062 1.00 3.94 C ATOM 0 H LEU A 762 9.576 -3.077 -3.179 1.00 0.89 H new ATOM 0 HA LEU A 762 9.578 -0.537 -3.995 1.00 1.28 H new ATOM 0 HB2 LEU A 762 11.771 -2.263 -2.737 1.00 2.07 H new ATOM 0 HB3 LEU A 762 11.883 -0.515 -2.806 1.00 2.07 H new ATOM 0 HG LEU A 762 11.176 -1.033 -0.628 1.00 3.10 H new ATOM 0 HD11 LEU A 762 8.922 -0.060 -0.490 1.00 3.72 H new ATOM 0 HD12 LEU A 762 9.956 0.821 -1.640 1.00 3.72 H new ATOM 0 HD13 LEU A 762 8.716 -0.306 -2.240 1.00 3.72 H new ATOM 0 HD21 LEU A 762 9.247 -2.458 -0.108 1.00 3.94 H new ATOM 0 HD22 LEU A 762 9.044 -2.809 -1.841 1.00 3.94 H new ATOM 0 HD23 LEU A 762 10.512 -3.347 -0.989 1.00 3.94 H new ATOM 1374 N LEU A 763 11.313 0.162 -5.494 1.00 1.06 N ATOM 1375 CA LEU A 763 12.160 0.723 -6.483 1.00 0.98 C ATOM 1376 C LEU A 763 13.311 1.380 -5.765 1.00 0.79 C ATOM 1377 O LEU A 763 13.337 1.430 -4.546 1.00 1.44 O ATOM 1378 CB LEU A 763 11.430 1.736 -7.371 1.00 1.81 C ATOM 1379 CG LEU A 763 10.635 1.149 -8.542 1.00 2.42 C ATOM 1380 CD1 LEU A 763 9.479 0.291 -8.056 1.00 2.97 C ATOM 1381 CD2 LEU A 763 10.128 2.267 -9.437 1.00 3.32 C ATOM 0 H LEU A 763 10.755 0.868 -5.014 1.00 1.06 H new ATOM 0 HA LEU A 763 12.509 -0.065 -7.151 1.00 0.98 H new ATOM 0 HB2 LEU A 763 10.747 2.312 -6.746 1.00 1.81 H new ATOM 0 HB3 LEU A 763 12.164 2.436 -7.770 1.00 1.81 H new ATOM 0 HG LEU A 763 11.303 0.506 -9.116 1.00 2.42 H new ATOM 0 HD11 LEU A 763 8.937 -0.109 -8.913 1.00 2.97 H new ATOM 0 HD12 LEU A 763 9.865 -0.532 -7.454 1.00 2.97 H new ATOM 0 HD13 LEU A 763 8.805 0.898 -7.451 1.00 2.97 H new ATOM 0 HD21 LEU A 763 9.564 1.841 -10.267 1.00 3.32 H new ATOM 0 HD22 LEU A 763 9.482 2.929 -8.861 1.00 3.32 H new ATOM 0 HD23 LEU A 763 10.974 2.834 -9.826 1.00 3.32 H new ATOM 1393 N SER A 764 14.277 1.733 -6.527 1.00 0.58 N ATOM 1394 CA SER A 764 15.448 2.496 -6.090 1.00 0.61 C ATOM 1395 C SER A 764 15.306 3.140 -4.707 1.00 0.71 C ATOM 1396 O SER A 764 14.572 4.121 -4.545 1.00 1.17 O ATOM 1397 CB SER A 764 15.691 3.608 -7.093 1.00 1.02 C ATOM 1398 OG SER A 764 15.665 3.110 -8.421 1.00 1.67 O ATOM 0 H SER A 764 14.301 1.502 -7.520 1.00 0.58 H new ATOM 0 HA SER A 764 16.272 1.785 -6.026 1.00 0.61 H new ATOM 0 HB2 SER A 764 14.931 4.381 -6.976 1.00 1.02 H new ATOM 0 HB3 SER A 764 16.655 4.076 -6.895 1.00 1.02 H new ATOM 0 HG SER A 764 15.822 3.845 -9.049 1.00 1.67 H new ATOM 1404 N SER A 765 16.029 2.604 -3.728 1.00 0.99 N ATOM 1405 CA SER A 765 15.995 3.125 -2.368 1.00 1.18 C ATOM 1406 C SER A 765 16.436 4.591 -2.329 1.00 1.13 C ATOM 1407 O SER A 765 17.240 5.032 -3.161 1.00 1.21 O ATOM 1408 CB SER A 765 16.911 2.288 -1.477 1.00 1.51 C ATOM 1409 OG SER A 765 16.838 0.913 -1.823 1.00 2.10 O ATOM 0 H SER A 765 16.649 1.804 -3.854 1.00 0.99 H new ATOM 0 HA SER A 765 14.970 3.067 -2.002 1.00 1.18 H new ATOM 0 HB2 SER A 765 17.939 2.638 -1.575 1.00 1.51 H new ATOM 0 HB3 SER A 765 16.628 2.420 -0.433 1.00 1.51 H new ATOM 0 HG SER A 765 15.978 0.547 -1.528 1.00 2.10 H new ATOM 1415 N GLU A 766 15.910 5.345 -1.372 1.00 1.43 N ATOM 1416 CA GLU A 766 16.269 6.746 -1.228 1.00 1.74 C ATOM 1417 C GLU A 766 17.625 6.876 -0.544 1.00 2.11 C ATOM 1418 O GLU A 766 17.732 6.502 0.642 1.00 2.79 O ATOM 1419 CB GLU A 766 15.211 7.499 -0.428 1.00 2.48 C ATOM 1420 CG GLU A 766 15.529 8.973 -0.256 1.00 3.22 C ATOM 1421 CD GLU A 766 14.663 9.644 0.783 1.00 4.06 C ATOM 1422 OE1 GLU A 766 13.701 10.344 0.404 1.00 4.70 O ATOM 1423 OE2 GLU A 766 14.951 9.495 1.988 1.00 4.47 O ATOM 1424 OXT GLU A 766 18.577 7.357 -1.193 1.00 2.51 O ATOM 0 H GLU A 766 15.234 5.008 -0.686 1.00 1.43 H new ATOM 0 HA GLU A 766 16.327 7.185 -2.224 1.00 1.74 H new ATOM 0 HB2 GLU A 766 14.247 7.398 -0.927 1.00 2.48 H new ATOM 0 HB3 GLU A 766 15.111 7.038 0.555 1.00 2.48 H new ATOM 0 HG2 GLU A 766 16.576 9.083 0.025 1.00 3.22 H new ATOM 0 HG3 GLU A 766 15.401 9.481 -1.212 1.00 3.22 H new