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+ 148:sc= 0.183 (180deg=-0.00619) USER MOD Set 1.2: A 752 SER OG : rot 138:sc= 0.18 USER MOD Set 1.3: A 754 SER OG : rot 180:sc= -0.701 USER MOD Set 2.1: A 709 THR OG1 : rot -155:sc= 1.94 USER MOD Set 2.2: A 711 SER OG : rot 180:sc= 1.06 USER MOD Single : A 679 LYS NZ :NH3+ -173:sc= -0.174 (180deg=-0.253) USER MOD Single : A 680 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.4!) USER MOD Single : A 681 LYS NZ :NH3+ -133:sc= -0.0716 (180deg=-4.57!) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 693 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 694 SER OG : rot 86:sc= 1.3 USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 698 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 SER OG : rot 20:sc= 0.201 USER MOD Single : A 704 SER OG : rot 160:sc= -3.82! USER MOD Single : A 705 LYS NZ :NH3+ 142:sc= 0.927 (180deg=-0.00146) USER MOD Single : A 707 ASN : amide:sc= -0.0272 X(o=-0.027,f=-0.25) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 73:sc= 0.0271 USER MOD Single : A 718 SER OG : rot -100:sc=-0.000433 USER MOD Single : A 719 GLN : amide:sc= -0.95 K(o=-0.95,f=-0.29) USER MOD Single : A 720 SER OG : rot 73:sc= 1.21 USER MOD Single : A 722 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0.015) USER MOD Single : A 724 LYS NZ :NH3+ -147:sc= 0.131! (180deg=-0.537!) USER MOD Single : A 727 ASN : amide:sc= -0.486 K(o=-0.49,f=-4!) USER MOD Single : A 736 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 739 HIS : no HD1:sc= -0.0689 X(o=-0.069,f=-0.019) USER MOD Single : A 745 SER OG : rot 180:sc= -0.401 USER MOD Single : A 746 HIS : no HE2:sc= 0.428 K(o=0.43,f=-1.4) USER MOD Single : A 747 SER OG : rot 180:sc= 0 USER MOD Single : A 750 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 756 THR OG1 : rot -170:sc= 0 USER MOD Single : A 759 CYS SG : rot 180:sc= -3.36! USER MOD Single : A 764 SER OG : rot 148:sc= 0.118 USER MOD Single : A 765 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -10.841 8.648 6.971 1.00 0.86 N ATOM 2 CA LYS A 679 -9.365 8.717 6.902 1.00 0.72 C ATOM 3 C LYS A 679 -8.729 7.484 7.550 1.00 0.66 C ATOM 4 O LYS A 679 -7.527 7.251 7.410 1.00 1.02 O ATOM 5 CB LYS A 679 -8.866 9.997 7.585 1.00 0.92 C ATOM 6 CG LYS A 679 -7.365 10.235 7.461 1.00 0.97 C ATOM 7 CD LYS A 679 -6.939 10.484 6.018 1.00 1.12 C ATOM 8 CE LYS A 679 -5.448 10.772 5.928 1.00 1.43 C ATOM 9 NZ LYS A 679 -5.041 11.235 4.573 1.00 2.26 N ATOM 0 HA LYS A 679 -9.070 8.737 5.853 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -9.393 10.851 7.159 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -9.129 9.956 8.642 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -7.083 11.091 8.074 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -6.828 9.371 7.853 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -7.182 9.613 5.409 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -7.500 11.325 5.610 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -5.182 11.531 6.664 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -4.890 9.871 6.184 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -4.004 11.304 4.527 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -5.375 10.556 3.859 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -5.459 12.169 4.385 1.00 2.26 H new ATOM 25 N GLN A 680 -9.529 6.672 8.238 1.00 0.54 N ATOM 26 CA GLN A 680 -8.983 5.524 8.941 1.00 0.71 C ATOM 27 C GLN A 680 -9.417 4.196 8.320 1.00 0.50 C ATOM 28 O GLN A 680 -10.600 3.863 8.261 1.00 0.78 O ATOM 29 CB GLN A 680 -9.346 5.552 10.429 1.00 1.24 C ATOM 30 CG GLN A 680 -10.840 5.541 10.718 1.00 1.84 C ATOM 31 CD GLN A 680 -11.144 5.146 12.151 1.00 2.28 C ATOM 32 OE1 GLN A 680 -10.393 4.394 12.771 1.00 2.61 O ATOM 33 NE2 GLN A 680 -12.245 5.645 12.685 1.00 2.98 N ATOM 0 H GLN A 680 -10.539 6.788 8.321 1.00 0.54 H new ATOM 0 HA GLN A 680 -7.900 5.597 8.843 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -8.889 4.691 10.917 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -8.909 6.443 10.879 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -11.254 6.530 10.520 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -11.335 4.847 10.039 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -12.842 6.265 12.138 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -12.498 5.410 13.645 1.00 2.98 H new ATOM 42 N LYS A 681 -8.435 3.466 7.826 1.00 0.53 N ATOM 43 CA LYS A 681 -8.596 2.071 7.444 1.00 0.44 C ATOM 44 C LYS A 681 -7.243 1.386 7.620 1.00 0.37 C ATOM 45 O LYS A 681 -6.213 1.977 7.297 1.00 0.55 O ATOM 46 CB LYS A 681 -9.112 1.951 6.000 1.00 0.63 C ATOM 47 CG LYS A 681 -8.327 2.781 4.997 1.00 0.67 C ATOM 48 CD LYS A 681 -8.751 2.554 3.553 1.00 0.70 C ATOM 49 CE LYS A 681 -8.759 1.088 3.166 1.00 0.87 C ATOM 50 NZ LYS A 681 -10.023 0.414 3.554 1.00 1.44 N ATOM 0 H LYS A 681 -7.493 3.826 7.676 1.00 0.53 H new ATOM 0 HA LYS A 681 -9.340 1.585 8.075 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -9.077 0.904 5.698 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -10.158 2.257 5.971 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -8.446 3.837 5.240 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -7.267 2.548 5.096 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -9.747 2.970 3.402 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -8.075 3.096 2.891 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -8.616 0.997 2.089 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -7.919 0.583 3.643 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -9.805 -0.487 4.025 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -10.557 1.025 4.205 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -10.594 0.231 2.704 1.00 1.44 H new ATOM 64 N VAL A 682 -7.220 0.178 8.174 1.00 0.33 N ATOM 65 CA VAL A 682 -5.948 -0.433 8.544 1.00 0.35 C ATOM 66 C VAL A 682 -5.571 -1.579 7.622 1.00 0.37 C ATOM 67 O VAL A 682 -6.143 -2.665 7.684 1.00 0.46 O ATOM 68 CB VAL A 682 -5.991 -0.951 9.997 1.00 0.49 C ATOM 69 CG1 VAL A 682 -4.679 -1.615 10.368 1.00 1.36 C ATOM 70 CG2 VAL A 682 -6.316 0.178 10.964 1.00 1.32 C ATOM 0 H VAL A 682 -8.046 -0.386 8.373 1.00 0.33 H new ATOM 0 HA VAL A 682 -5.192 0.346 8.450 1.00 0.35 H new ATOM 0 HB VAL A 682 -6.783 -1.697 10.069 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -4.730 -1.973 11.396 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -4.495 -2.456 9.700 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -3.867 -0.894 10.275 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -6.341 -0.211 11.982 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -5.552 0.952 10.890 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -7.288 0.603 10.714 1.00 1.32 H new ATOM 80 N LEU A 683 -4.603 -1.307 6.766 1.00 0.34 N ATOM 81 CA LEU A 683 -4.086 -2.291 5.833 1.00 0.39 C ATOM 82 C LEU A 683 -2.612 -2.583 6.098 1.00 0.38 C ATOM 83 O LEU A 683 -1.767 -1.713 5.865 1.00 0.38 O ATOM 84 CB LEU A 683 -4.275 -1.785 4.405 1.00 0.47 C ATOM 85 CG LEU A 683 -5.521 -0.923 4.205 1.00 0.82 C ATOM 86 CD1 LEU A 683 -5.195 0.553 4.400 1.00 1.44 C ATOM 87 CD2 LEU A 683 -6.122 -1.158 2.835 1.00 1.55 C ATOM 0 H LEU A 683 -4.152 -0.395 6.698 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.638 -3.221 5.968 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.397 -1.207 4.117 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -4.327 -2.641 3.732 1.00 0.47 H new ATOM 0 HG LEU A 683 -6.256 -1.213 4.956 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -6.097 1.147 4.253 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -4.817 0.712 5.410 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -4.438 0.857 3.677 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -7.008 -0.534 2.714 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -5.391 -0.902 2.068 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.401 -2.207 2.735 1.00 1.55 H new ATOM 99 N PRO A 684 -2.243 -3.760 6.612 1.00 0.41 N ATOM 100 CA PRO A 684 -0.846 -4.159 6.597 1.00 0.40 C ATOM 101 C PRO A 684 -0.472 -4.705 5.222 1.00 0.38 C ATOM 102 O PRO A 684 -1.163 -5.571 4.694 1.00 0.43 O ATOM 103 CB PRO A 684 -0.775 -5.269 7.658 1.00 0.48 C ATOM 104 CG PRO A 684 -2.165 -5.418 8.211 1.00 0.65 C ATOM 105 CD PRO A 684 -3.102 -4.761 7.235 1.00 0.48 C ATOM 0 HA PRO A 684 -0.161 -3.336 6.802 1.00 0.40 H new ATOM 0 HB2 PRO A 684 -0.430 -6.205 7.218 1.00 0.48 H new ATOM 0 HB3 PRO A 684 -0.069 -5.008 8.447 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.418 -6.471 8.339 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -2.241 -4.950 9.193 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -3.495 -5.471 6.507 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.959 -4.309 7.734 1.00 0.48 H new ATOM 113 N VAL A 685 0.609 -4.202 4.640 1.00 0.34 N ATOM 114 CA VAL A 685 1.097 -4.721 3.359 1.00 0.33 C ATOM 115 C VAL A 685 2.441 -5.430 3.526 1.00 0.30 C ATOM 116 O VAL A 685 3.194 -5.089 4.438 1.00 0.33 O ATOM 117 CB VAL A 685 1.205 -3.621 2.290 1.00 0.39 C ATOM 118 CG1 VAL A 685 0.105 -2.586 2.474 1.00 0.45 C ATOM 119 CG2 VAL A 685 2.582 -2.978 2.301 1.00 0.60 C ATOM 0 H VAL A 685 1.165 -3.440 5.028 1.00 0.34 H new ATOM 0 HA VAL A 685 0.359 -5.446 3.014 1.00 0.33 H new ATOM 0 HB VAL A 685 1.071 -4.082 1.311 1.00 0.39 H new ATOM 0 HG11 VAL A 685 0.198 -1.816 1.708 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -0.868 -3.069 2.386 1.00 0.45 H new ATOM 0 HG13 VAL A 685 0.196 -2.130 3.460 1.00 0.45 H new ATOM 0 HG21 VAL A 685 2.628 -2.204 1.535 1.00 0.60 H new ATOM 0 HG22 VAL A 685 2.768 -2.532 3.278 1.00 0.60 H new ATOM 0 HG23 VAL A 685 3.339 -3.736 2.098 1.00 0.60 H new ATOM 129 N PHE A 686 2.747 -6.419 2.683 1.00 0.33 N ATOM 130 CA PHE A 686 4.073 -7.055 2.754 1.00 0.37 C ATOM 131 C PHE A 686 4.702 -7.279 1.383 1.00 0.44 C ATOM 132 O PHE A 686 4.371 -8.234 0.693 1.00 0.70 O ATOM 133 CB PHE A 686 4.060 -8.370 3.548 1.00 0.62 C ATOM 134 CG PHE A 686 3.039 -9.388 3.116 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.716 -9.254 3.484 1.00 1.55 C ATOM 136 CD2 PHE A 686 3.413 -10.487 2.356 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.777 -10.196 3.107 1.00 2.32 C ATOM 138 CE2 PHE A 686 2.481 -11.430 1.973 1.00 2.43 C ATOM 139 CZ PHE A 686 1.160 -11.283 2.348 1.00 2.65 C ATOM 0 H PHE A 686 2.123 -6.790 1.966 1.00 0.33 H new ATOM 0 HA PHE A 686 4.695 -6.340 3.293 1.00 0.37 H new ATOM 0 HB2 PHE A 686 5.049 -8.824 3.479 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.889 -8.136 4.599 1.00 0.62 H new ATOM 0 HD1 PHE A 686 1.410 -8.403 4.074 1.00 1.55 H new ATOM 0 HD2 PHE A 686 4.445 -10.606 2.061 1.00 1.65 H new ATOM 0 HE1 PHE A 686 -0.254 -10.081 3.406 1.00 2.32 H new ATOM 0 HE2 PHE A 686 2.784 -12.281 1.381 1.00 2.43 H new ATOM 0 HZ PHE A 686 0.428 -12.018 2.048 1.00 2.65 H new ATOM 149 N TYR A 687 5.589 -6.400 0.973 1.00 0.46 N ATOM 150 CA TYR A 687 6.423 -6.661 -0.188 1.00 0.69 C ATOM 151 C TYR A 687 7.867 -6.275 0.043 1.00 0.50 C ATOM 152 O TYR A 687 8.169 -5.374 0.821 1.00 0.64 O ATOM 153 CB TYR A 687 5.894 -6.117 -1.499 1.00 1.33 C ATOM 154 CG TYR A 687 6.033 -7.180 -2.576 1.00 2.53 C ATOM 155 CD1 TYR A 687 5.403 -8.410 -2.482 1.00 3.44 C ATOM 156 CD2 TYR A 687 6.780 -6.918 -3.720 1.00 3.03 C ATOM 157 CE1 TYR A 687 5.520 -9.351 -3.492 1.00 4.64 C ATOM 158 CE2 TYR A 687 6.904 -7.852 -4.727 1.00 4.21 C ATOM 159 CZ TYR A 687 6.303 -9.186 -4.487 1.00 4.97 C ATOM 160 OH TYR A 687 6.391 -9.993 -5.618 1.00 6.20 O ATOM 0 H TYR A 687 5.754 -5.499 1.422 1.00 0.46 H new ATOM 0 HA TYR A 687 6.380 -7.744 -0.306 1.00 0.69 H new ATOM 0 HB2 TYR A 687 4.849 -5.827 -1.391 1.00 1.33 H new ATOM 0 HB3 TYR A 687 6.445 -5.221 -1.783 1.00 1.33 H new ATOM 0 HD1 TYR A 687 4.811 -8.639 -1.608 1.00 3.44 H new ATOM 0 HD2 TYR A 687 7.273 -5.963 -3.822 1.00 3.03 H new ATOM 0 HE1 TYR A 687 4.930 -10.254 -3.436 1.00 4.64 H new ATOM 0 HE2 TYR A 687 7.416 -7.622 -5.650 1.00 4.21 H new ATOM 0 HH TYR A 687 7.073 -9.635 -6.223 1.00 6.20 H new ATOM 170 N PHE A 688 8.761 -6.958 -0.636 1.00 0.57 N ATOM 171 CA PHE A 688 10.164 -6.858 -0.355 1.00 0.60 C ATOM 172 C PHE A 688 10.735 -5.652 -1.065 1.00 0.63 C ATOM 173 O PHE A 688 10.751 -5.555 -2.293 1.00 0.69 O ATOM 174 CB PHE A 688 10.822 -8.158 -0.807 1.00 0.81 C ATOM 175 CG PHE A 688 12.298 -8.073 -1.021 1.00 1.20 C ATOM 176 CD1 PHE A 688 12.780 -7.845 -2.287 1.00 1.75 C ATOM 177 CD2 PHE A 688 13.191 -8.223 0.026 1.00 1.41 C ATOM 178 CE1 PHE A 688 14.138 -7.765 -2.523 1.00 2.40 C ATOM 179 CE2 PHE A 688 14.553 -8.144 -0.197 1.00 2.00 C ATOM 180 CZ PHE A 688 15.028 -7.914 -1.475 1.00 2.48 C ATOM 0 H PHE A 688 8.530 -7.597 -1.397 1.00 0.57 H new ATOM 0 HA PHE A 688 10.351 -6.721 0.710 1.00 0.60 H new ATOM 0 HB2 PHE A 688 10.621 -8.928 -0.062 1.00 0.81 H new ATOM 0 HB3 PHE A 688 10.353 -8.482 -1.736 1.00 0.81 H new ATOM 0 HD1 PHE A 688 12.088 -7.727 -3.108 1.00 1.75 H new ATOM 0 HD2 PHE A 688 12.821 -8.403 1.025 1.00 1.41 H new ATOM 0 HE1 PHE A 688 14.504 -7.587 -3.523 1.00 2.40 H new ATOM 0 HE2 PHE A 688 15.244 -8.262 0.625 1.00 2.00 H new ATOM 0 HZ PHE A 688 16.091 -7.851 -1.654 1.00 2.48 H new ATOM 190 N ALA A 689 11.152 -4.714 -0.232 1.00 0.73 N ATOM 191 CA ALA A 689 11.550 -3.399 -0.662 1.00 0.85 C ATOM 192 C ALA A 689 12.968 -3.380 -1.151 1.00 0.81 C ATOM 193 O ALA A 689 13.732 -4.322 -0.937 1.00 0.80 O ATOM 194 CB ALA A 689 11.409 -2.421 0.486 1.00 1.07 C ATOM 0 H ALA A 689 11.222 -4.854 0.776 1.00 0.73 H new ATOM 0 HA ALA A 689 10.899 -3.111 -1.488 1.00 0.85 H new ATOM 0 HB1 ALA A 689 11.711 -1.427 0.156 1.00 1.07 H new ATOM 0 HB2 ALA A 689 10.370 -2.394 0.815 1.00 1.07 H new ATOM 0 HB3 ALA A 689 12.044 -2.737 1.314 1.00 1.07 H new ATOM 200 N ARG A 690 13.322 -2.296 -1.804 1.00 0.87 N ATOM 201 CA ARG A 690 14.694 -2.104 -2.173 1.00 0.87 C ATOM 202 C ARG A 690 15.354 -1.216 -1.149 1.00 0.85 C ATOM 203 O ARG A 690 15.480 -0.001 -1.287 1.00 0.97 O ATOM 204 CB ARG A 690 14.799 -1.549 -3.582 1.00 1.06 C ATOM 205 CG ARG A 690 14.927 -2.651 -4.619 1.00 1.22 C ATOM 206 CD ARG A 690 13.820 -3.696 -4.503 1.00 1.47 C ATOM 207 NE ARG A 690 14.337 -5.035 -4.775 1.00 2.19 N ATOM 208 CZ ARG A 690 13.743 -5.925 -5.560 1.00 2.74 C ATOM 209 NH1 ARG A 690 12.627 -5.612 -6.198 1.00 2.85 N ATOM 210 NH2 ARG A 690 14.286 -7.124 -5.718 1.00 3.57 N ATOM 0 H ARG A 690 12.686 -1.549 -2.084 1.00 0.87 H new ATOM 0 HA ARG A 690 15.218 -3.060 -2.183 1.00 0.87 H new ATOM 0 HB2 ARG A 690 13.918 -0.946 -3.801 1.00 1.06 H new ATOM 0 HB3 ARG A 690 15.663 -0.887 -3.648 1.00 1.06 H new ATOM 0 HG2 ARG A 690 14.904 -2.211 -5.616 1.00 1.22 H new ATOM 0 HG3 ARG A 690 15.895 -3.139 -4.508 1.00 1.22 H new ATOM 0 HD2 ARG A 690 13.388 -3.665 -3.503 1.00 1.47 H new ATOM 0 HD3 ARG A 690 13.018 -3.462 -5.204 1.00 1.47 H new ATOM 0 HE ARG A 690 15.215 -5.304 -4.331 1.00 2.19 H new ATOM 0 HH11 ARG A 690 12.220 -4.683 -6.088 1.00 2.85 H new ATOM 0 HH12 ARG A 690 12.174 -6.299 -6.800 1.00 2.85 H new ATOM 0 HH21 ARG A 690 15.155 -7.358 -5.238 1.00 3.57 H new ATOM 0 HH22 ARG A 690 13.835 -7.813 -6.320 1.00 3.57 H new ATOM 224 N GLU A 691 15.757 -1.907 -0.124 1.00 0.74 N ATOM 225 CA GLU A 691 16.488 -1.398 1.002 1.00 0.73 C ATOM 226 C GLU A 691 17.945 -1.797 0.841 1.00 0.72 C ATOM 227 O GLU A 691 18.295 -2.425 -0.165 1.00 0.76 O ATOM 228 CB GLU A 691 15.904 -1.937 2.317 1.00 0.70 C ATOM 229 CG GLU A 691 14.594 -1.292 2.740 1.00 0.99 C ATOM 230 CD GLU A 691 14.232 -1.619 4.179 1.00 1.45 C ATOM 231 OE1 GLU A 691 14.104 -2.819 4.508 1.00 1.87 O ATOM 232 OE2 GLU A 691 14.036 -0.680 4.980 1.00 1.98 O ATOM 0 H GLU A 691 15.572 -2.907 -0.046 1.00 0.74 H new ATOM 0 HA GLU A 691 16.410 -0.312 1.041 1.00 0.73 H new ATOM 0 HB2 GLU A 691 15.749 -3.011 2.217 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.637 -1.793 3.111 1.00 0.70 H new ATOM 0 HG2 GLU A 691 14.669 -0.211 2.623 1.00 0.99 H new ATOM 0 HG3 GLU A 691 13.795 -1.630 2.080 1.00 0.99 H new ATOM 239 N PRO A 692 18.823 -1.372 1.762 1.00 0.77 N ATOM 240 CA PRO A 692 20.183 -1.928 1.947 1.00 0.85 C ATOM 241 C PRO A 692 20.259 -3.478 1.859 1.00 0.85 C ATOM 242 O PRO A 692 21.318 -4.066 2.088 1.00 1.01 O ATOM 243 CB PRO A 692 20.589 -1.454 3.352 1.00 0.96 C ATOM 244 CG PRO A 692 19.421 -0.687 3.891 1.00 0.96 C ATOM 245 CD PRO A 692 18.596 -0.272 2.707 1.00 0.88 C ATOM 0 HA PRO A 692 20.843 -1.587 1.149 1.00 0.85 H new ATOM 0 HB2 PRO A 692 20.827 -2.302 3.994 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.479 -0.827 3.309 1.00 0.96 H new ATOM 0 HG2 PRO A 692 18.836 -1.302 4.574 1.00 0.96 H new ATOM 0 HG3 PRO A 692 19.756 0.184 4.454 1.00 0.96 H new ATOM 0 HD2 PRO A 692 17.542 -0.168 2.963 1.00 0.88 H new ATOM 0 HD3 PRO A 692 18.921 0.686 2.301 1.00 0.88 H new ATOM 253 N HIS A 693 19.120 -4.106 1.546 1.00 0.76 N ATOM 254 CA HIS A 693 18.916 -5.546 1.516 1.00 0.84 C ATOM 255 C HIS A 693 18.747 -6.072 2.912 1.00 0.83 C ATOM 256 O HIS A 693 19.417 -7.003 3.352 1.00 1.01 O ATOM 257 CB HIS A 693 20.044 -6.282 0.782 1.00 1.08 C ATOM 258 CG HIS A 693 19.575 -7.500 0.044 1.00 1.45 C ATOM 259 ND1 HIS A 693 19.986 -7.808 -1.235 1.00 1.93 N ATOM 260 CD2 HIS A 693 18.712 -8.484 0.404 1.00 2.20 C ATOM 261 CE1 HIS A 693 19.396 -8.923 -1.629 1.00 2.48 C ATOM 262 NE2 HIS A 693 18.619 -9.353 -0.654 1.00 2.61 N ATOM 0 H HIS A 693 18.276 -3.591 1.295 1.00 0.76 H new ATOM 0 HA HIS A 693 18.003 -5.737 0.952 1.00 0.84 H new ATOM 0 HB2 HIS A 693 20.516 -5.598 0.077 1.00 1.08 H new ATOM 0 HB3 HIS A 693 20.807 -6.574 1.503 1.00 1.08 H new ATOM 0 HD2 HIS A 693 18.194 -8.568 1.348 1.00 2.20 H new ATOM 0 HE1 HIS A 693 19.528 -9.402 -2.588 1.00 2.48 H new ATOM 0 HE2 HIS A 693 18.043 -10.194 -0.682 1.00 2.61 H new ATOM 271 N SER A 694 17.817 -5.430 3.593 1.00 0.71 N ATOM 272 CA SER A 694 17.287 -5.937 4.825 1.00 0.76 C ATOM 273 C SER A 694 16.142 -6.878 4.486 1.00 0.68 C ATOM 274 O SER A 694 15.890 -7.138 3.306 1.00 0.62 O ATOM 275 CB SER A 694 16.827 -4.786 5.721 1.00 0.82 C ATOM 276 OG SER A 694 16.613 -3.607 4.960 1.00 1.14 O ATOM 0 H SER A 694 17.413 -4.541 3.299 1.00 0.71 H new ATOM 0 HA SER A 694 18.051 -6.481 5.380 1.00 0.76 H new ATOM 0 HB2 SER A 694 15.907 -5.065 6.234 1.00 0.82 H new ATOM 0 HB3 SER A 694 17.576 -4.597 6.490 1.00 0.82 H new ATOM 0 HG SER A 694 15.705 -3.616 4.591 1.00 1.14 H new ATOM 282 N LYS A 695 15.466 -7.403 5.485 1.00 0.75 N ATOM 283 CA LYS A 695 14.392 -8.343 5.242 1.00 0.73 C ATOM 284 C LYS A 695 13.233 -7.668 4.496 1.00 0.59 C ATOM 285 O LYS A 695 13.122 -6.442 4.498 1.00 0.56 O ATOM 286 CB LYS A 695 13.896 -8.948 6.566 1.00 0.91 C ATOM 287 CG LYS A 695 14.596 -8.435 7.822 1.00 1.71 C ATOM 288 CD LYS A 695 14.203 -6.999 8.155 1.00 2.33 C ATOM 289 CE LYS A 695 12.701 -6.852 8.341 1.00 3.33 C ATOM 290 NZ LYS A 695 12.313 -5.443 8.608 1.00 4.08 N ATOM 0 H LYS A 695 15.639 -7.197 6.469 1.00 0.75 H new ATOM 0 HA LYS A 695 14.780 -9.146 4.615 1.00 0.73 H new ATOM 0 HB2 LYS A 695 12.828 -8.750 6.659 1.00 0.91 H new ATOM 0 HB3 LYS A 695 14.017 -10.030 6.519 1.00 0.91 H new ATOM 0 HG2 LYS A 695 14.349 -9.082 8.664 1.00 1.71 H new ATOM 0 HG3 LYS A 695 15.676 -8.491 7.683 1.00 1.71 H new ATOM 0 HD2 LYS A 695 14.714 -6.684 9.065 1.00 2.33 H new ATOM 0 HD3 LYS A 695 14.537 -6.337 7.356 1.00 2.33 H new ATOM 0 HE2 LYS A 695 12.188 -7.207 7.447 1.00 3.33 H new ATOM 0 HE3 LYS A 695 12.374 -7.482 9.168 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 11.282 -5.384 8.729 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 12.783 -5.112 9.475 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 12.602 -4.846 7.807 1.00 4.08 H new ATOM 304 N PRO A 696 12.360 -8.464 3.842 1.00 0.58 N ATOM 305 CA PRO A 696 11.206 -7.944 3.094 1.00 0.49 C ATOM 306 C PRO A 696 10.351 -7.022 3.948 1.00 0.45 C ATOM 307 O PRO A 696 10.248 -7.206 5.166 1.00 0.57 O ATOM 308 CB PRO A 696 10.415 -9.202 2.706 1.00 0.63 C ATOM 309 CG PRO A 696 10.994 -10.306 3.527 1.00 0.94 C ATOM 310 CD PRO A 696 12.423 -9.926 3.773 1.00 0.74 C ATOM 0 HA PRO A 696 11.514 -7.349 2.234 1.00 0.49 H new ATOM 0 HB2 PRO A 696 9.352 -9.076 2.911 1.00 0.63 H new ATOM 0 HB3 PRO A 696 10.511 -9.413 1.641 1.00 0.63 H new ATOM 0 HG2 PRO A 696 10.453 -10.420 4.466 1.00 0.94 H new ATOM 0 HG3 PRO A 696 10.928 -11.259 3.003 1.00 0.94 H new ATOM 0 HD2 PRO A 696 12.804 -10.359 4.698 1.00 0.74 H new ATOM 0 HD3 PRO A 696 13.076 -10.266 2.969 1.00 0.74 H new ATOM 318 N ILE A 697 9.719 -6.045 3.320 1.00 0.46 N ATOM 319 CA ILE A 697 9.066 -5.002 4.072 1.00 0.56 C ATOM 320 C ILE A 697 7.576 -5.224 4.183 1.00 0.51 C ATOM 321 O ILE A 697 6.840 -5.257 3.199 1.00 0.63 O ATOM 322 CB ILE A 697 9.370 -3.591 3.509 1.00 0.82 C ATOM 323 CG1 ILE A 697 10.686 -3.095 4.104 1.00 1.02 C ATOM 324 CG2 ILE A 697 8.243 -2.608 3.824 1.00 1.01 C ATOM 325 CD1 ILE A 697 10.642 -2.980 5.615 1.00 1.15 C ATOM 0 H ILE A 697 9.648 -5.957 2.306 1.00 0.46 H new ATOM 0 HA ILE A 697 9.484 -5.052 5.077 1.00 0.56 H new ATOM 0 HB ILE A 697 9.451 -3.656 2.424 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.488 -3.776 3.819 1.00 1.02 H new ATOM 0 HG13 ILE A 697 10.928 -2.122 3.677 1.00 1.02 H new ATOM 0 HG21 ILE A 697 8.490 -1.628 3.414 1.00 1.01 H new ATOM 0 HG22 ILE A 697 7.314 -2.964 3.378 1.00 1.01 H new ATOM 0 HG23 ILE A 697 8.120 -2.529 4.904 1.00 1.01 H new ATOM 0 HD11 ILE A 697 11.605 -2.623 5.981 1.00 1.15 H new ATOM 0 HD12 ILE A 697 9.861 -2.277 5.904 1.00 1.15 H new ATOM 0 HD13 ILE A 697 10.429 -3.957 6.048 1.00 1.15 H new ATOM 337 N LYS A 698 7.158 -5.402 5.407 1.00 0.56 N ATOM 338 CA LYS A 698 5.769 -5.377 5.748 1.00 0.65 C ATOM 339 C LYS A 698 5.521 -4.235 6.710 1.00 0.46 C ATOM 340 O LYS A 698 6.256 -4.054 7.678 1.00 0.52 O ATOM 341 CB LYS A 698 5.312 -6.719 6.333 1.00 1.04 C ATOM 342 CG LYS A 698 6.342 -7.446 7.202 1.00 1.91 C ATOM 343 CD LYS A 698 6.598 -6.751 8.531 1.00 2.12 C ATOM 344 CE LYS A 698 5.398 -6.808 9.463 1.00 2.62 C ATOM 345 NZ LYS A 698 5.687 -6.124 10.750 1.00 3.17 N ATOM 0 H LYS A 698 7.779 -5.569 6.198 1.00 0.56 H new ATOM 0 HA LYS A 698 5.179 -5.217 4.846 1.00 0.65 H new ATOM 0 HB2 LYS A 698 4.415 -6.549 6.929 1.00 1.04 H new ATOM 0 HB3 LYS A 698 5.028 -7.376 5.511 1.00 1.04 H new ATOM 0 HG2 LYS A 698 5.997 -8.462 7.391 1.00 1.91 H new ATOM 0 HG3 LYS A 698 7.281 -7.525 6.653 1.00 1.91 H new ATOM 0 HD2 LYS A 698 7.455 -7.215 9.020 1.00 2.12 H new ATOM 0 HD3 LYS A 698 6.861 -5.709 8.347 1.00 2.12 H new ATOM 0 HE2 LYS A 698 4.539 -6.339 8.983 1.00 2.62 H new ATOM 0 HE3 LYS A 698 5.130 -7.847 9.652 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 4.852 -6.178 11.367 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 6.492 -6.588 11.217 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 5.920 -5.127 10.569 1.00 3.17 H new ATOM 359 N PHE A 699 4.539 -3.421 6.416 1.00 0.41 N ATOM 360 CA PHE A 699 4.182 -2.365 7.324 1.00 0.33 C ATOM 361 C PHE A 699 2.684 -2.254 7.404 1.00 0.32 C ATOM 362 O PHE A 699 1.982 -2.394 6.399 1.00 0.33 O ATOM 363 CB PHE A 699 4.790 -1.029 6.894 1.00 0.41 C ATOM 364 CG PHE A 699 4.781 0.004 7.983 1.00 0.77 C ATOM 365 CD1 PHE A 699 3.878 1.044 7.939 1.00 1.08 C ATOM 366 CD2 PHE A 699 5.668 -0.064 9.042 1.00 1.27 C ATOM 367 CE1 PHE A 699 3.852 2.005 8.930 1.00 1.58 C ATOM 368 CE2 PHE A 699 5.650 0.891 10.040 1.00 1.76 C ATOM 369 CZ PHE A 699 4.790 1.900 10.011 1.00 1.84 C ATOM 0 H PHE A 699 3.979 -3.469 5.565 1.00 0.41 H new ATOM 0 HA PHE A 699 4.583 -2.609 8.308 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.817 -1.193 6.567 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.239 -0.646 6.035 1.00 0.41 H new ATOM 0 HD1 PHE A 699 3.180 1.108 7.117 1.00 1.08 H new ATOM 0 HD2 PHE A 699 6.382 -0.873 9.089 1.00 1.27 H new ATOM 0 HE1 PHE A 699 3.142 2.818 8.892 1.00 1.58 H new ATOM 0 HE2 PHE A 699 6.350 0.814 10.859 1.00 1.76 H new ATOM 0 HZ PHE A 699 4.795 2.640 10.798 1.00 1.84 H new ATOM 379 N LEU A 700 2.200 -2.027 8.598 1.00 0.32 N ATOM 380 CA LEU A 700 0.799 -1.768 8.788 1.00 0.31 C ATOM 381 C LEU A 700 0.584 -0.270 8.692 1.00 0.28 C ATOM 382 O LEU A 700 0.955 0.484 9.590 1.00 0.34 O ATOM 383 CB LEU A 700 0.353 -2.317 10.155 1.00 0.38 C ATOM 384 CG LEU A 700 -1.139 -2.192 10.492 1.00 0.49 C ATOM 385 CD1 LEU A 700 -1.529 -3.235 11.526 1.00 0.98 C ATOM 386 CD2 LEU A 700 -1.465 -0.803 11.020 1.00 0.73 C ATOM 0 H LEU A 700 2.757 -2.017 9.453 1.00 0.32 H new ATOM 0 HA LEU A 700 0.200 -2.265 8.025 1.00 0.31 H new ATOM 0 HB2 LEU A 700 0.626 -3.371 10.204 1.00 0.38 H new ATOM 0 HB3 LEU A 700 0.922 -1.804 10.930 1.00 0.38 H new ATOM 0 HG LEU A 700 -1.707 -2.357 9.576 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -2.590 -3.138 11.758 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -1.334 -4.231 11.129 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -0.944 -3.085 12.433 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -2.529 -0.742 11.251 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -0.886 -0.612 11.924 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -1.214 -0.058 10.264 1.00 0.73 H new ATOM 398 N VAL A 701 0.004 0.157 7.586 1.00 0.25 N ATOM 399 CA VAL A 701 -0.317 1.549 7.404 1.00 0.27 C ATOM 400 C VAL A 701 -1.804 1.760 7.590 1.00 0.24 C ATOM 401 O VAL A 701 -2.618 1.049 6.996 1.00 0.28 O ATOM 402 CB VAL A 701 0.085 2.080 6.009 1.00 0.35 C ATOM 403 CG1 VAL A 701 1.585 2.285 5.917 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.401 1.144 4.912 1.00 0.41 C ATOM 0 H VAL A 701 -0.252 -0.445 6.803 1.00 0.25 H new ATOM 0 HA VAL A 701 0.254 2.102 8.150 1.00 0.27 H new ATOM 0 HB VAL A 701 -0.396 3.048 5.867 1.00 0.35 H new ATOM 0 HG11 VAL A 701 1.841 2.659 4.926 1.00 0.36 H new ATOM 0 HG12 VAL A 701 1.900 3.007 6.670 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.093 1.336 6.089 1.00 0.36 H new ATOM 0 HG21 VAL A 701 -0.106 1.539 3.940 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.042 0.158 5.053 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.487 1.064 4.957 1.00 0.41 H new ATOM 414 N SER A 702 -2.183 2.699 8.426 1.00 0.26 N ATOM 415 CA SER A 702 -3.568 3.078 8.462 1.00 0.27 C ATOM 416 C SER A 702 -3.715 4.413 7.762 1.00 0.28 C ATOM 417 O SER A 702 -3.361 5.465 8.302 1.00 0.34 O ATOM 418 CB SER A 702 -4.057 3.154 9.907 1.00 0.34 C ATOM 419 OG SER A 702 -5.465 3.311 9.971 1.00 1.39 O ATOM 0 H SER A 702 -1.570 3.199 9.070 1.00 0.26 H new ATOM 0 HA SER A 702 -4.178 2.334 7.950 1.00 0.27 H new ATOM 0 HB2 SER A 702 -3.766 2.248 10.439 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.573 3.990 10.413 1.00 0.34 H new ATOM 0 HG SER A 702 -5.864 3.031 9.121 1.00 1.39 H new ATOM 425 N VAL A 703 -4.233 4.353 6.550 1.00 0.28 N ATOM 426 CA VAL A 703 -4.472 5.526 5.744 1.00 0.34 C ATOM 427 C VAL A 703 -5.616 5.266 4.807 1.00 0.36 C ATOM 428 O VAL A 703 -5.834 4.133 4.394 1.00 0.40 O ATOM 429 CB VAL A 703 -3.257 5.925 4.881 1.00 0.42 C ATOM 430 CG1 VAL A 703 -2.731 7.289 5.298 1.00 0.77 C ATOM 431 CG2 VAL A 703 -2.160 4.873 4.949 1.00 0.56 C ATOM 0 H VAL A 703 -4.501 3.479 6.097 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.685 6.337 6.441 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.587 5.987 3.844 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -1.874 7.554 4.678 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -3.515 8.036 5.171 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -2.426 7.257 6.344 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.318 5.184 4.330 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -1.829 4.759 5.981 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -2.546 3.921 4.584 1.00 0.56 H new ATOM 441 N SER A 704 -6.317 6.306 4.455 1.00 0.44 N ATOM 442 CA SER A 704 -7.261 6.238 3.373 1.00 0.48 C ATOM 443 C SER A 704 -7.018 7.425 2.486 1.00 0.66 C ATOM 444 O SER A 704 -6.468 8.438 2.939 1.00 0.82 O ATOM 445 CB SER A 704 -8.693 6.243 3.902 1.00 0.49 C ATOM 446 OG SER A 704 -9.039 7.509 4.431 1.00 1.19 O ATOM 0 H SER A 704 -6.252 7.219 4.905 1.00 0.44 H new ATOM 0 HA SER A 704 -7.129 5.312 2.813 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.381 5.981 3.098 1.00 0.49 H new ATOM 0 HB3 SER A 704 -8.801 5.481 4.674 1.00 0.49 H new ATOM 0 HG SER A 704 -10.015 7.594 4.465 1.00 1.19 H new ATOM 452 N LYS A 705 -7.383 7.314 1.228 1.00 0.87 N ATOM 453 CA LYS A 705 -7.196 8.429 0.350 1.00 1.08 C ATOM 454 C LYS A 705 -8.276 9.446 0.617 1.00 0.96 C ATOM 455 O LYS A 705 -9.414 9.347 0.151 1.00 1.22 O ATOM 456 CB LYS A 705 -7.093 8.030 -1.130 1.00 1.57 C ATOM 457 CG LYS A 705 -8.371 7.623 -1.838 1.00 2.47 C ATOM 458 CD LYS A 705 -8.732 6.187 -1.560 1.00 3.17 C ATOM 459 CE LYS A 705 -7.593 5.233 -1.879 1.00 3.91 C ATOM 460 NZ LYS A 705 -7.846 3.886 -1.305 1.00 4.66 N ATOM 0 H LYS A 705 -7.799 6.484 0.806 1.00 0.87 H new ATOM 0 HA LYS A 705 -6.228 8.881 0.565 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -6.660 8.869 -1.675 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -6.388 7.202 -1.206 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -9.186 8.271 -1.517 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -8.253 7.767 -2.912 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -9.009 6.081 -0.511 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -9.607 5.914 -2.150 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -7.472 5.154 -2.959 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -6.659 5.631 -1.482 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -7.514 3.158 -1.969 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -7.336 3.791 -0.404 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -8.866 3.765 -1.140 1.00 4.66 H new ATOM 474 N GLU A 706 -7.913 10.379 1.471 1.00 0.96 N ATOM 475 CA GLU A 706 -8.740 11.514 1.768 1.00 1.16 C ATOM 476 C GLU A 706 -8.910 12.306 0.474 1.00 1.49 C ATOM 477 O GLU A 706 -8.333 11.952 -0.557 1.00 1.84 O ATOM 478 CB GLU A 706 -8.063 12.352 2.862 1.00 1.55 C ATOM 479 CG GLU A 706 -9.010 12.936 3.903 1.00 1.85 C ATOM 480 CD GLU A 706 -9.657 14.230 3.462 1.00 2.27 C ATOM 481 OE1 GLU A 706 -9.079 15.305 3.719 1.00 2.69 O ATOM 482 OE2 GLU A 706 -10.743 14.176 2.854 1.00 2.79 O ATOM 0 H GLU A 706 -7.028 10.365 1.979 1.00 0.96 H new ATOM 0 HA GLU A 706 -9.721 11.217 2.139 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -7.326 11.731 3.371 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -7.519 13.169 2.388 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -9.788 12.206 4.127 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -8.460 13.109 4.828 1.00 1.85 H new ATOM 489 N ASN A 707 -9.671 13.374 0.520 1.00 1.81 N ATOM 490 CA ASN A 707 -10.019 14.114 -0.682 1.00 2.13 C ATOM 491 C ASN A 707 -8.795 14.715 -1.391 1.00 1.71 C ATOM 492 O ASN A 707 -8.949 15.390 -2.409 1.00 1.87 O ATOM 493 CB ASN A 707 -11.022 15.217 -0.342 1.00 2.79 C ATOM 494 CG ASN A 707 -11.858 15.625 -1.539 1.00 3.37 C ATOM 495 OD1 ASN A 707 -11.500 16.534 -2.289 1.00 3.87 O ATOM 496 ND2 ASN A 707 -12.982 14.951 -1.728 1.00 3.89 N ATOM 0 H ASN A 707 -10.066 13.756 1.380 1.00 1.81 H new ATOM 0 HA ASN A 707 -10.467 13.402 -1.375 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -11.679 14.873 0.457 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -10.487 16.087 0.038 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -13.586 15.178 -2.518 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -13.243 14.205 -1.084 1.00 3.89 H new ATOM 503 N SER A 708 -7.577 14.470 -0.896 1.00 1.30 N ATOM 504 CA SER A 708 -6.423 15.107 -1.504 1.00 1.07 C ATOM 505 C SER A 708 -5.838 14.251 -2.626 1.00 0.94 C ATOM 506 O SER A 708 -5.857 14.648 -3.793 1.00 1.14 O ATOM 507 CB SER A 708 -5.343 15.295 -0.432 1.00 1.20 C ATOM 508 OG SER A 708 -5.903 15.796 0.774 1.00 1.82 O ATOM 0 H SER A 708 -7.376 13.858 -0.105 1.00 1.30 H new ATOM 0 HA SER A 708 -6.741 16.062 -1.922 1.00 1.07 H new ATOM 0 HB2 SER A 708 -4.848 14.343 -0.239 1.00 1.20 H new ATOM 0 HB3 SER A 708 -4.580 15.983 -0.796 1.00 1.20 H new ATOM 0 HG SER A 708 -5.195 15.906 1.443 1.00 1.82 H new ATOM 514 N THR A 709 -5.357 13.069 -2.278 1.00 0.79 N ATOM 515 CA THR A 709 -4.874 12.114 -3.259 1.00 0.73 C ATOM 516 C THR A 709 -5.235 10.682 -2.854 1.00 0.64 C ATOM 517 O THR A 709 -5.494 10.422 -1.682 1.00 0.67 O ATOM 518 CB THR A 709 -3.353 12.278 -3.473 1.00 0.81 C ATOM 519 OG1 THR A 709 -2.823 11.183 -4.223 1.00 0.90 O ATOM 520 CG2 THR A 709 -2.628 12.416 -2.145 1.00 0.85 C ATOM 0 H THR A 709 -5.291 12.746 -1.313 1.00 0.79 H new ATOM 0 HA THR A 709 -5.367 12.317 -4.209 1.00 0.73 H new ATOM 0 HB THR A 709 -3.193 13.193 -4.044 1.00 0.81 H new ATOM 0 HG1 THR A 709 -1.870 11.077 -4.019 1.00 0.90 H new ATOM 0 HG21 THR A 709 -1.559 12.530 -2.324 1.00 0.85 H new ATOM 0 HG22 THR A 709 -3.003 13.292 -1.615 1.00 0.85 H new ATOM 0 HG23 THR A 709 -2.802 11.525 -1.541 1.00 0.85 H new ATOM 528 N ALA A 710 -5.227 9.760 -3.818 1.00 0.68 N ATOM 529 CA ALA A 710 -5.349 8.331 -3.547 1.00 0.65 C ATOM 530 C ALA A 710 -4.024 7.766 -3.041 1.00 0.48 C ATOM 531 O ALA A 710 -3.967 6.713 -2.408 1.00 0.46 O ATOM 532 CB ALA A 710 -5.824 7.578 -4.783 1.00 0.86 C ATOM 0 H ALA A 710 -5.136 9.985 -4.809 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.098 8.197 -2.767 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -5.906 6.516 -4.553 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -6.798 7.959 -5.089 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -5.108 7.719 -5.593 1.00 0.86 H new ATOM 538 N SER A 711 -2.970 8.506 -3.337 1.00 0.49 N ATOM 539 CA SER A 711 -1.595 8.055 -3.172 1.00 0.51 C ATOM 540 C SER A 711 -1.209 7.920 -1.711 1.00 0.43 C ATOM 541 O SER A 711 -0.350 7.116 -1.392 1.00 0.43 O ATOM 542 CB SER A 711 -0.606 8.979 -3.897 1.00 0.70 C ATOM 543 OG SER A 711 -0.561 10.266 -3.305 1.00 1.55 O ATOM 0 H SER A 711 -3.045 9.454 -3.705 1.00 0.49 H new ATOM 0 HA SER A 711 -1.540 7.066 -3.626 1.00 0.51 H new ATOM 0 HB2 SER A 711 0.389 8.534 -3.877 1.00 0.70 H new ATOM 0 HB3 SER A 711 -0.894 9.070 -4.944 1.00 0.70 H new ATOM 0 HG SER A 711 0.079 10.827 -3.791 1.00 1.55 H new ATOM 549 N GLU A 712 -1.844 8.697 -0.829 1.00 0.43 N ATOM 550 CA GLU A 712 -1.406 8.804 0.563 1.00 0.46 C ATOM 551 C GLU A 712 -1.270 7.436 1.218 1.00 0.39 C ATOM 552 O GLU A 712 -0.408 7.228 2.075 1.00 0.42 O ATOM 553 CB GLU A 712 -2.409 9.626 1.384 1.00 0.56 C ATOM 554 CG GLU A 712 -2.622 11.060 0.918 1.00 0.67 C ATOM 555 CD GLU A 712 -3.386 11.864 1.947 1.00 1.19 C ATOM 556 OE1 GLU A 712 -2.755 12.391 2.884 1.00 1.54 O ATOM 557 OE2 GLU A 712 -4.617 12.007 1.805 1.00 1.78 O ATOM 0 H GLU A 712 -2.663 9.261 -1.056 1.00 0.43 H new ATOM 0 HA GLU A 712 -0.433 9.295 0.548 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.370 9.112 1.370 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -2.073 9.646 2.421 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -1.657 11.530 0.729 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -3.167 11.061 -0.026 1.00 0.67 H new ATOM 564 N VAL A 713 -2.110 6.502 0.815 1.00 0.34 N ATOM 565 CA VAL A 713 -2.055 5.170 1.367 1.00 0.33 C ATOM 566 C VAL A 713 -0.800 4.427 0.906 1.00 0.29 C ATOM 567 O VAL A 713 -0.082 3.838 1.712 1.00 0.29 O ATOM 568 CB VAL A 713 -3.326 4.376 1.015 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.535 5.129 1.522 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.457 4.117 -0.483 1.00 0.40 C ATOM 0 H VAL A 713 -2.834 6.644 0.111 1.00 0.34 H new ATOM 0 HA VAL A 713 -2.004 5.263 2.452 1.00 0.33 H new ATOM 0 HB VAL A 713 -3.257 3.401 1.497 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.440 4.573 1.276 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.464 5.246 2.603 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.575 6.112 1.052 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -4.370 3.554 -0.676 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.498 5.068 -1.014 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.597 3.544 -0.830 1.00 0.40 H new ATOM 580 N LEU A 714 -0.532 4.488 -0.390 1.00 0.33 N ATOM 581 CA LEU A 714 0.639 3.857 -0.974 1.00 0.37 C ATOM 582 C LEU A 714 1.886 4.616 -0.522 1.00 0.34 C ATOM 583 O LEU A 714 2.959 4.047 -0.331 1.00 0.37 O ATOM 584 CB LEU A 714 0.506 3.833 -2.504 1.00 0.46 C ATOM 585 CG LEU A 714 1.269 4.919 -3.255 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.667 4.433 -3.585 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.524 5.327 -4.515 1.00 0.84 C ATOM 0 H LEU A 714 -1.121 4.976 -1.065 1.00 0.33 H new ATOM 0 HA LEU A 714 0.726 2.824 -0.637 1.00 0.37 H new ATOM 0 HB2 LEU A 714 0.846 2.862 -2.864 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.551 3.915 -2.759 1.00 0.46 H new ATOM 0 HG LEU A 714 1.348 5.799 -2.617 1.00 0.45 H new ATOM 0 HD11 LEU A 714 3.206 5.214 -4.121 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.196 4.194 -2.663 1.00 0.64 H new ATOM 0 HD13 LEU A 714 2.604 3.541 -4.209 1.00 0.64 H new ATOM 0 HD21 LEU A 714 1.086 6.103 -5.035 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.411 4.461 -5.168 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.461 5.710 -4.247 1.00 0.84 H new ATOM 599 N ASP A 715 1.713 5.922 -0.376 1.00 0.32 N ATOM 600 CA ASP A 715 2.766 6.821 0.055 1.00 0.34 C ATOM 601 C ASP A 715 3.257 6.432 1.439 1.00 0.32 C ATOM 602 O ASP A 715 4.454 6.474 1.721 1.00 0.36 O ATOM 603 CB ASP A 715 2.211 8.240 0.068 1.00 0.40 C ATOM 604 CG ASP A 715 3.214 9.276 0.529 1.00 0.99 C ATOM 605 OD1 ASP A 715 3.861 9.913 -0.327 1.00 1.94 O ATOM 606 OD2 ASP A 715 3.378 9.440 1.753 1.00 1.37 O ATOM 0 H ASP A 715 0.825 6.390 -0.557 1.00 0.32 H new ATOM 0 HA ASP A 715 3.611 6.760 -0.631 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.869 8.497 -0.935 1.00 0.40 H new ATOM 0 HB3 ASP A 715 1.339 8.275 0.721 1.00 0.40 H new ATOM 611 N SER A 716 2.320 6.028 2.291 1.00 0.28 N ATOM 612 CA SER A 716 2.636 5.544 3.614 1.00 0.28 C ATOM 613 C SER A 716 3.555 4.334 3.528 1.00 0.30 C ATOM 614 O SER A 716 4.475 4.163 4.329 1.00 0.33 O ATOM 615 CB SER A 716 1.337 5.188 4.319 1.00 0.29 C ATOM 616 OG SER A 716 0.607 6.359 4.648 1.00 0.41 O ATOM 0 H SER A 716 1.323 6.030 2.076 1.00 0.28 H new ATOM 0 HA SER A 716 3.158 6.316 4.180 1.00 0.28 H new ATOM 0 HB2 SER A 716 0.734 4.546 3.677 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.553 4.622 5.225 1.00 0.29 H new ATOM 0 HG SER A 716 0.217 6.741 3.834 1.00 0.41 H new ATOM 622 N LEU A 717 3.282 3.505 2.543 1.00 0.32 N ATOM 623 CA LEU A 717 4.015 2.285 2.314 1.00 0.39 C ATOM 624 C LEU A 717 5.472 2.545 1.965 1.00 0.37 C ATOM 625 O LEU A 717 6.380 2.057 2.635 1.00 0.43 O ATOM 626 CB LEU A 717 3.330 1.549 1.170 1.00 0.52 C ATOM 627 CG LEU A 717 2.450 0.382 1.593 1.00 0.75 C ATOM 628 CD1 LEU A 717 2.528 0.187 3.098 1.00 1.42 C ATOM 629 CD2 LEU A 717 1.016 0.625 1.157 1.00 1.42 C ATOM 0 H LEU A 717 2.532 3.665 1.870 1.00 0.32 H new ATOM 0 HA LEU A 717 4.015 1.691 3.228 1.00 0.39 H new ATOM 0 HB2 LEU A 717 2.721 2.261 0.613 1.00 0.52 H new ATOM 0 HB3 LEU A 717 4.094 1.179 0.486 1.00 0.52 H new ATOM 0 HG LEU A 717 2.808 -0.527 1.109 1.00 0.75 H new ATOM 0 HD11 LEU A 717 1.894 -0.651 3.390 1.00 1.42 H new ATOM 0 HD12 LEU A 717 3.559 -0.021 3.385 1.00 1.42 H new ATOM 0 HD13 LEU A 717 2.187 1.092 3.600 1.00 1.42 H new ATOM 0 HD21 LEU A 717 0.395 -0.216 1.465 1.00 1.42 H new ATOM 0 HD22 LEU A 717 0.645 1.539 1.620 1.00 1.42 H new ATOM 0 HD23 LEU A 717 0.978 0.727 0.072 1.00 1.42 H new ATOM 641 N SER A 718 5.687 3.330 0.928 1.00 0.33 N ATOM 642 CA SER A 718 7.029 3.579 0.439 1.00 0.38 C ATOM 643 C SER A 718 7.852 4.454 1.388 1.00 0.30 C ATOM 644 O SER A 718 9.065 4.285 1.487 1.00 0.31 O ATOM 645 CB SER A 718 6.957 4.187 -0.954 1.00 0.50 C ATOM 646 OG SER A 718 6.411 3.256 -1.878 1.00 1.52 O ATOM 0 H SER A 718 4.950 3.806 0.408 1.00 0.33 H new ATOM 0 HA SER A 718 7.550 2.623 0.389 1.00 0.38 H new ATOM 0 HB2 SER A 718 6.344 5.088 -0.932 1.00 0.50 H new ATOM 0 HB3 SER A 718 7.954 4.487 -1.278 1.00 0.50 H new ATOM 0 HG SER A 718 7.136 2.839 -2.389 1.00 1.52 H new ATOM 652 N GLN A 719 7.210 5.368 2.105 1.00 0.29 N ATOM 653 CA GLN A 719 7.935 6.197 3.070 1.00 0.31 C ATOM 654 C GLN A 719 8.427 5.338 4.231 1.00 0.35 C ATOM 655 O GLN A 719 9.468 5.616 4.827 1.00 0.41 O ATOM 656 CB GLN A 719 7.068 7.345 3.581 1.00 0.37 C ATOM 657 CG GLN A 719 5.975 6.888 4.516 1.00 0.39 C ATOM 658 CD GLN A 719 5.183 8.030 5.123 1.00 0.48 C ATOM 659 OE1 GLN A 719 5.495 8.511 6.214 1.00 1.10 O ATOM 660 NE2 GLN A 719 4.162 8.484 4.417 1.00 1.35 N ATOM 0 H GLN A 719 6.209 5.555 2.042 1.00 0.29 H new ATOM 0 HA GLN A 719 8.795 6.635 2.563 1.00 0.31 H new ATOM 0 HB2 GLN A 719 7.700 8.069 4.096 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.620 7.860 2.732 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.294 6.232 3.974 1.00 0.39 H new ATOM 0 HG3 GLN A 719 6.417 6.296 5.318 1.00 0.39 H new ATOM 0 HE21 GLN A 719 3.935 8.060 3.518 1.00 1.35 H new ATOM 0 HE22 GLN A 719 3.601 9.259 4.771 1.00 1.35 H new ATOM 669 N SER A 720 7.675 4.287 4.536 1.00 0.35 N ATOM 670 CA SER A 720 8.099 3.282 5.500 1.00 0.45 C ATOM 671 C SER A 720 9.352 2.574 5.005 1.00 0.49 C ATOM 672 O SER A 720 10.175 2.095 5.785 1.00 0.60 O ATOM 673 CB SER A 720 6.972 2.278 5.695 1.00 0.50 C ATOM 674 OG SER A 720 5.859 2.885 6.327 1.00 0.51 O ATOM 0 H SER A 720 6.759 4.109 4.124 1.00 0.35 H new ATOM 0 HA SER A 720 8.330 3.763 6.451 1.00 0.45 H new ATOM 0 HB2 SER A 720 6.670 1.872 4.730 1.00 0.50 H new ATOM 0 HB3 SER A 720 7.325 1.441 6.297 1.00 0.50 H new ATOM 0 HG SER A 720 5.405 3.477 5.692 1.00 0.51 H new ATOM 680 N VAL A 721 9.479 2.534 3.692 1.00 0.45 N ATOM 681 CA VAL A 721 10.619 1.935 3.024 1.00 0.54 C ATOM 682 C VAL A 721 11.744 2.969 2.873 1.00 0.53 C ATOM 683 O VAL A 721 12.863 2.651 2.463 1.00 0.67 O ATOM 684 CB VAL A 721 10.173 1.394 1.646 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.351 0.916 0.824 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.155 0.281 1.828 1.00 0.70 C ATOM 0 H VAL A 721 8.785 2.921 3.052 1.00 0.45 H new ATOM 0 HA VAL A 721 11.003 1.107 3.619 1.00 0.54 H new ATOM 0 HB VAL A 721 9.708 2.213 1.097 1.00 0.58 H new ATOM 0 HG11 VAL A 721 10.997 0.543 -0.137 1.00 0.65 H new ATOM 0 HG12 VAL A 721 12.040 1.744 0.660 1.00 0.65 H new ATOM 0 HG13 VAL A 721 11.865 0.116 1.356 1.00 0.65 H new ATOM 0 HG21 VAL A 721 8.847 -0.094 0.852 1.00 0.70 H new ATOM 0 HG22 VAL A 721 9.601 -0.530 2.403 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.285 0.667 2.360 1.00 0.70 H new ATOM 696 N HIS A 722 11.438 4.205 3.272 1.00 0.44 N ATOM 697 CA HIS A 722 12.381 5.324 3.186 1.00 0.50 C ATOM 698 C HIS A 722 12.702 5.640 1.733 1.00 0.47 C ATOM 699 O HIS A 722 13.796 6.085 1.409 1.00 0.60 O ATOM 700 CB HIS A 722 13.681 5.017 3.945 1.00 0.69 C ATOM 701 CG HIS A 722 13.520 4.889 5.427 1.00 1.37 C ATOM 702 ND1 HIS A 722 14.178 5.698 6.322 1.00 2.03 N ATOM 703 CD2 HIS A 722 12.791 4.024 6.175 1.00 2.30 C ATOM 704 CE1 HIS A 722 13.868 5.338 7.551 1.00 2.74 C ATOM 705 NE2 HIS A 722 13.024 4.326 7.493 1.00 2.91 N ATOM 0 H HIS A 722 10.531 4.459 3.663 1.00 0.44 H new ATOM 0 HA HIS A 722 11.907 6.190 3.647 1.00 0.50 H new ATOM 0 HB2 HIS A 722 14.103 4.090 3.557 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.403 5.807 3.738 1.00 0.69 H new ATOM 0 HD2 HIS A 722 12.146 3.242 5.802 1.00 2.30 H new ATOM 0 HE1 HIS A 722 14.242 5.795 8.455 1.00 2.74 H new ATOM 0 HE2 HIS A 722 12.613 3.848 8.295 1.00 2.91 H new ATOM 714 N VAL A 723 11.722 5.414 0.879 1.00 0.36 N ATOM 715 CA VAL A 723 11.836 5.679 -0.543 1.00 0.39 C ATOM 716 C VAL A 723 10.597 6.434 -1.011 1.00 0.36 C ATOM 717 O VAL A 723 9.559 6.388 -0.349 1.00 0.34 O ATOM 718 CB VAL A 723 11.979 4.370 -1.349 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.703 3.548 -1.272 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.349 4.653 -2.794 1.00 0.62 C ATOM 0 H VAL A 723 10.815 5.038 1.155 1.00 0.36 H new ATOM 0 HA VAL A 723 12.730 6.278 -0.712 1.00 0.39 H new ATOM 0 HB VAL A 723 12.788 3.790 -0.904 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.826 2.630 -1.847 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.493 3.299 -0.232 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.874 4.124 -1.682 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.443 3.712 -3.337 1.00 0.62 H new ATOM 0 HG22 VAL A 723 11.572 5.262 -3.256 1.00 0.62 H new ATOM 0 HG23 VAL A 723 13.298 5.188 -2.829 1.00 0.62 H new ATOM 730 N LYS A 724 10.707 7.160 -2.115 1.00 0.45 N ATOM 731 CA LYS A 724 9.551 7.822 -2.690 1.00 0.52 C ATOM 732 C LYS A 724 8.487 6.784 -3.043 1.00 0.44 C ATOM 733 O LYS A 724 8.804 5.625 -3.321 1.00 0.37 O ATOM 734 CB LYS A 724 9.968 8.564 -3.954 1.00 0.67 C ATOM 735 CG LYS A 724 11.058 9.594 -3.739 1.00 1.41 C ATOM 736 CD LYS A 724 11.929 9.695 -4.974 1.00 1.48 C ATOM 737 CE LYS A 724 12.643 8.377 -5.231 1.00 0.91 C ATOM 738 NZ LYS A 724 14.011 8.359 -4.660 1.00 1.46 N ATOM 0 H LYS A 724 11.579 7.303 -2.625 1.00 0.45 H new ATOM 0 HA LYS A 724 9.144 8.528 -1.967 1.00 0.52 H new ATOM 0 HB2 LYS A 724 10.310 7.838 -4.692 1.00 0.67 H new ATOM 0 HB3 LYS A 724 9.094 9.059 -4.376 1.00 0.67 H new ATOM 0 HG2 LYS A 724 10.614 10.564 -3.517 1.00 1.41 H new ATOM 0 HG3 LYS A 724 11.666 9.317 -2.877 1.00 1.41 H new ATOM 0 HD2 LYS A 724 11.318 9.958 -5.837 1.00 1.48 H new ATOM 0 HD3 LYS A 724 12.661 10.493 -4.846 1.00 1.48 H new ATOM 0 HE2 LYS A 724 12.061 7.561 -4.802 1.00 0.91 H new ATOM 0 HE3 LYS A 724 12.697 8.199 -6.305 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 14.632 7.783 -5.264 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 14.379 9.330 -4.611 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 13.983 7.951 -3.704 1.00 1.46 H new ATOM 752 N PRO A 725 7.205 7.221 -3.025 1.00 0.52 N ATOM 753 CA PRO A 725 6.012 6.375 -3.229 1.00 0.54 C ATOM 754 C PRO A 725 6.151 5.328 -4.330 1.00 0.49 C ATOM 755 O PRO A 725 5.489 4.296 -4.296 1.00 0.54 O ATOM 756 CB PRO A 725 4.939 7.389 -3.608 1.00 0.68 C ATOM 757 CG PRO A 725 5.309 8.615 -2.858 1.00 0.83 C ATOM 758 CD PRO A 725 6.814 8.629 -2.784 1.00 0.67 C ATOM 0 HA PRO A 725 5.803 5.784 -2.337 1.00 0.54 H new ATOM 0 HB2 PRO A 725 4.925 7.570 -4.683 1.00 0.68 H new ATOM 0 HB3 PRO A 725 3.945 7.038 -3.331 1.00 0.68 H new ATOM 0 HG2 PRO A 725 4.936 9.506 -3.363 1.00 0.83 H new ATOM 0 HG3 PRO A 725 4.871 8.607 -1.860 1.00 0.83 H new ATOM 0 HD2 PRO A 725 7.243 9.295 -3.533 1.00 0.67 H new ATOM 0 HD3 PRO A 725 7.161 8.977 -1.811 1.00 0.67 H new ATOM 766 N GLU A 726 7.020 5.601 -5.284 1.00 0.44 N ATOM 767 CA GLU A 726 7.103 4.847 -6.520 1.00 0.48 C ATOM 768 C GLU A 726 7.400 3.363 -6.317 1.00 0.51 C ATOM 769 O GLU A 726 7.092 2.559 -7.188 1.00 0.62 O ATOM 770 CB GLU A 726 8.223 5.415 -7.386 1.00 0.45 C ATOM 771 CG GLU A 726 8.517 6.887 -7.163 1.00 0.67 C ATOM 772 CD GLU A 726 9.661 7.378 -8.026 1.00 1.53 C ATOM 773 OE1 GLU A 726 10.822 7.006 -7.749 1.00 2.38 O ATOM 774 OE2 GLU A 726 9.407 8.136 -8.984 1.00 1.89 O ATOM 0 H GLU A 726 7.696 6.362 -5.222 1.00 0.44 H new ATOM 0 HA GLU A 726 6.123 4.936 -6.989 1.00 0.48 H new ATOM 0 HB2 GLU A 726 9.133 4.845 -7.198 1.00 0.45 H new ATOM 0 HB3 GLU A 726 7.964 5.266 -8.434 1.00 0.45 H new ATOM 0 HG2 GLU A 726 7.623 7.472 -7.380 1.00 0.67 H new ATOM 0 HG3 GLU A 726 8.759 7.053 -6.113 1.00 0.67 H new ATOM 781 N ASN A 727 7.938 2.982 -5.172 1.00 0.45 N ATOM 782 CA ASN A 727 8.540 1.652 -5.052 1.00 0.48 C ATOM 783 C ASN A 727 7.515 0.575 -4.741 1.00 0.48 C ATOM 784 O ASN A 727 7.753 -0.607 -5.014 1.00 0.52 O ATOM 785 CB ASN A 727 9.588 1.642 -3.951 1.00 0.51 C ATOM 786 CG ASN A 727 10.784 0.783 -4.292 1.00 1.11 C ATOM 787 OD1 ASN A 727 11.738 1.243 -4.910 1.00 1.74 O ATOM 788 ND2 ASN A 727 10.747 -0.472 -3.870 1.00 1.84 N ATOM 0 H ASN A 727 7.974 3.553 -4.328 1.00 0.45 H new ATOM 0 HA ASN A 727 8.992 1.432 -6.019 1.00 0.48 H new ATOM 0 HB2 ASN A 727 9.921 2.663 -3.763 1.00 0.51 H new ATOM 0 HB3 ASN A 727 9.136 1.279 -3.028 1.00 0.51 H new ATOM 0 HD21 ASN A 727 11.532 -1.096 -4.056 1.00 1.84 H new ATOM 0 HD22 ASN A 727 9.933 -0.814 -3.359 1.00 1.84 H new ATOM 795 N LEU A 728 6.385 0.969 -4.179 1.00 0.48 N ATOM 796 CA LEU A 728 5.315 0.036 -3.885 1.00 0.47 C ATOM 797 C LEU A 728 3.991 0.566 -4.401 1.00 0.47 C ATOM 798 O LEU A 728 3.617 1.679 -4.079 1.00 0.63 O ATOM 799 CB LEU A 728 5.210 -0.120 -2.364 1.00 0.70 C ATOM 800 CG LEU A 728 6.158 -1.129 -1.701 1.00 1.26 C ATOM 801 CD1 LEU A 728 7.621 -0.770 -1.913 1.00 1.83 C ATOM 802 CD2 LEU A 728 5.882 -1.193 -0.217 1.00 1.87 C ATOM 0 H LEU A 728 6.186 1.934 -3.917 1.00 0.48 H new ATOM 0 HA LEU A 728 5.533 -0.918 -4.366 1.00 0.47 H new ATOM 0 HB2 LEU A 728 5.383 0.856 -1.910 1.00 0.70 H new ATOM 0 HB3 LEU A 728 4.187 -0.407 -2.123 1.00 0.70 H new ATOM 0 HG LEU A 728 5.974 -2.096 -2.168 1.00 1.26 H new ATOM 0 HD11 LEU A 728 8.252 -1.513 -1.426 1.00 1.83 H new ATOM 0 HD12 LEU A 728 7.840 -0.752 -2.981 1.00 1.83 H new ATOM 0 HD13 LEU A 728 7.820 0.212 -1.485 1.00 1.83 H new ATOM 0 HD21 LEU A 728 6.558 -1.911 0.248 1.00 1.87 H new ATOM 0 HD22 LEU A 728 6.038 -0.209 0.225 1.00 1.87 H new ATOM 0 HD23 LEU A 728 4.851 -1.506 -0.052 1.00 1.87 H new ATOM 814 N ARG A 729 3.282 -0.215 -5.206 1.00 0.36 N ATOM 815 CA ARG A 729 1.867 0.037 -5.435 1.00 0.41 C ATOM 816 C ARG A 729 1.149 -1.267 -5.794 1.00 0.32 C ATOM 817 O ARG A 729 1.480 -1.908 -6.788 1.00 0.34 O ATOM 818 CB ARG A 729 1.678 1.103 -6.532 1.00 0.56 C ATOM 819 CG ARG A 729 1.869 0.615 -7.966 1.00 0.70 C ATOM 820 CD ARG A 729 3.289 0.144 -8.248 1.00 0.54 C ATOM 821 NE ARG A 729 4.246 1.253 -8.255 1.00 1.21 N ATOM 822 CZ ARG A 729 4.535 1.976 -9.343 1.00 1.75 C ATOM 823 NH1 ARG A 729 3.977 1.687 -10.511 1.00 2.18 N ATOM 824 NH2 ARG A 729 5.407 2.973 -9.265 1.00 2.58 N ATOM 0 H ARG A 729 3.659 -1.020 -5.706 1.00 0.36 H new ATOM 0 HA ARG A 729 1.424 0.424 -4.517 1.00 0.41 H new ATOM 0 HB2 ARG A 729 0.675 1.520 -6.440 1.00 0.56 H new ATOM 0 HB3 ARG A 729 2.380 1.917 -6.348 1.00 0.56 H new ATOM 0 HG2 ARG A 729 1.175 -0.202 -8.162 1.00 0.70 H new ATOM 0 HG3 ARG A 729 1.615 1.420 -8.655 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.585 -0.585 -7.494 1.00 0.54 H new ATOM 0 HD3 ARG A 729 3.317 -0.365 -9.212 1.00 0.54 H new ATOM 0 HE ARG A 729 4.718 1.487 -7.382 1.00 1.21 H new ATOM 0 HH11 ARG A 729 3.322 0.909 -10.585 1.00 2.18 H new ATOM 0 HH12 ARG A 729 4.203 2.243 -11.336 1.00 2.18 H new ATOM 0 HH21 ARG A 729 5.857 3.188 -8.375 1.00 2.58 H new ATOM 0 HH22 ARG A 729 5.627 3.524 -10.095 1.00 2.58 H new ATOM 838 N LEU A 730 0.266 -1.731 -4.933 1.00 0.32 N ATOM 839 CA LEU A 730 -0.685 -2.767 -5.294 1.00 0.34 C ATOM 840 C LEU A 730 -1.854 -2.741 -4.322 1.00 0.42 C ATOM 841 O LEU A 730 -1.602 -2.516 -3.159 1.00 0.73 O ATOM 842 CB LEU A 730 -0.020 -4.127 -5.299 1.00 0.37 C ATOM 843 CG LEU A 730 -0.862 -5.191 -5.957 1.00 0.53 C ATOM 844 CD1 LEU A 730 -0.989 -4.912 -7.449 1.00 1.23 C ATOM 845 CD2 LEU A 730 -0.283 -6.560 -5.711 1.00 1.22 C ATOM 0 H LEU A 730 0.186 -1.405 -3.970 1.00 0.32 H new ATOM 0 HA LEU A 730 -1.056 -2.576 -6.301 1.00 0.34 H new ATOM 0 HB2 LEU A 730 0.936 -4.056 -5.817 1.00 0.37 H new ATOM 0 HB3 LEU A 730 0.195 -4.424 -4.273 1.00 0.37 H new ATOM 0 HG LEU A 730 -1.859 -5.168 -5.516 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -1.599 -5.687 -7.913 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.460 -3.941 -7.599 1.00 1.23 H new ATOM 0 HD13 LEU A 730 0.001 -4.909 -7.904 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.907 -7.311 -6.195 1.00 1.22 H new ATOM 0 HD22 LEU A 730 0.726 -6.607 -6.121 1.00 1.22 H new ATOM 0 HD23 LEU A 730 -0.248 -6.753 -4.639 1.00 1.22 H new ATOM 857 N ALA A 731 -3.110 -2.942 -4.712 1.00 0.34 N ATOM 858 CA ALA A 731 -4.085 -3.216 -3.673 1.00 0.37 C ATOM 859 C ALA A 731 -4.998 -4.386 -4.022 1.00 0.37 C ATOM 860 O ALA A 731 -5.808 -4.310 -4.935 1.00 0.50 O ATOM 861 CB ALA A 731 -4.897 -1.967 -3.391 1.00 0.46 C ATOM 0 H ALA A 731 -3.456 -2.923 -5.671 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.538 -3.506 -2.776 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -5.628 -2.177 -2.610 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.233 -1.168 -3.061 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.415 -1.657 -4.299 1.00 0.46 H new ATOM 867 N GLU A 732 -4.958 -5.432 -3.218 1.00 0.39 N ATOM 868 CA GLU A 732 -5.803 -6.581 -3.469 1.00 0.46 C ATOM 869 C GLU A 732 -6.897 -6.703 -2.429 1.00 0.57 C ATOM 870 O GLU A 732 -6.633 -6.810 -1.241 1.00 0.66 O ATOM 871 CB GLU A 732 -4.971 -7.870 -3.533 1.00 0.66 C ATOM 872 CG GLU A 732 -4.325 -8.291 -2.226 1.00 0.76 C ATOM 873 CD GLU A 732 -3.729 -9.681 -2.300 1.00 0.78 C ATOM 874 OE1 GLU A 732 -2.791 -9.894 -3.095 1.00 1.02 O ATOM 875 OE2 GLU A 732 -4.201 -10.573 -1.566 1.00 1.19 O ATOM 0 H GLU A 732 -4.358 -5.509 -2.397 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.280 -6.431 -4.438 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -5.613 -8.680 -3.879 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -4.189 -7.741 -4.281 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -3.544 -7.577 -1.963 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -5.068 -8.259 -1.429 1.00 0.76 H new ATOM 882 N VAL A 733 -8.127 -6.737 -2.895 1.00 0.69 N ATOM 883 CA VAL A 733 -9.272 -6.773 -2.011 1.00 0.90 C ATOM 884 C VAL A 733 -9.801 -8.186 -1.908 1.00 1.17 C ATOM 885 O VAL A 733 -9.832 -8.914 -2.900 1.00 1.35 O ATOM 886 CB VAL A 733 -10.422 -5.848 -2.467 1.00 1.19 C ATOM 887 CG1 VAL A 733 -10.891 -4.978 -1.316 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.032 -4.998 -3.664 1.00 1.64 C ATOM 0 H VAL A 733 -8.360 -6.740 -3.888 1.00 0.69 H new ATOM 0 HA VAL A 733 -8.922 -6.414 -1.043 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.248 -6.485 -2.784 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -11.701 -4.332 -1.655 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -11.247 -5.611 -0.503 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -10.062 -4.365 -0.962 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -10.872 -4.364 -3.949 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -9.177 -4.373 -3.404 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -9.767 -5.646 -4.499 1.00 1.64 H new ATOM 898 N ILE A 734 -10.200 -8.566 -0.705 1.00 1.30 N ATOM 899 CA ILE A 734 -10.799 -9.868 -0.461 1.00 1.65 C ATOM 900 C ILE A 734 -12.291 -9.679 -0.204 1.00 1.93 C ATOM 901 O ILE A 734 -12.837 -8.653 -0.613 1.00 2.17 O ATOM 902 CB ILE A 734 -10.116 -10.608 0.715 1.00 1.81 C ATOM 903 CG1 ILE A 734 -10.159 -9.770 1.993 1.00 1.91 C ATOM 904 CG2 ILE A 734 -8.677 -10.947 0.354 1.00 2.43 C ATOM 905 CD1 ILE A 734 -9.609 -10.489 3.206 1.00 2.42 C ATOM 0 H ILE A 734 -10.118 -7.982 0.128 1.00 1.30 H new ATOM 0 HA ILE A 734 -10.655 -10.495 -1.341 1.00 1.65 H new ATOM 0 HB ILE A 734 -10.664 -11.532 0.900 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -9.591 -8.853 1.836 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -11.190 -9.477 2.191 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -8.206 -11.467 1.188 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -8.664 -11.588 -0.527 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -8.129 -10.029 0.143 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -9.671 -9.835 4.076 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -10.191 -11.392 3.389 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -8.568 -10.759 3.028 1.00 2.42 H new ATOM 917 N LYS A 735 -12.920 -10.541 0.603 1.00 2.29 N ATOM 918 CA LYS A 735 -14.367 -10.842 0.495 1.00 2.61 C ATOM 919 C LYS A 735 -15.008 -10.282 -0.797 1.00 2.77 C ATOM 920 O LYS A 735 -14.408 -10.361 -1.865 1.00 2.76 O ATOM 921 CB LYS A 735 -15.124 -10.321 1.732 1.00 2.76 C ATOM 922 CG LYS A 735 -14.643 -8.971 2.244 1.00 3.27 C ATOM 923 CD LYS A 735 -13.559 -9.129 3.300 1.00 3.69 C ATOM 924 CE LYS A 735 -12.725 -7.870 3.439 1.00 3.70 C ATOM 925 NZ LYS A 735 -13.527 -6.698 3.889 1.00 4.16 N ATOM 0 H LYS A 735 -12.449 -11.052 1.350 1.00 2.29 H new ATOM 0 HA LYS A 735 -14.452 -11.928 0.446 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -16.184 -10.246 1.489 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -15.032 -11.053 2.534 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -14.259 -8.381 1.412 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -15.484 -8.419 2.664 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -14.017 -9.370 4.259 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -12.913 -9.966 3.036 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -11.919 -8.049 4.151 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -12.259 -7.640 2.481 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -12.931 -6.071 4.467 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -13.876 -6.177 3.059 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -14.335 -7.027 4.456 1.00 4.16 H new ATOM 939 N ASN A 736 -16.265 -9.845 -0.727 1.00 3.04 N ATOM 940 CA ASN A 736 -17.085 -9.605 -1.927 1.00 3.32 C ATOM 941 C ASN A 736 -16.397 -8.695 -2.959 1.00 3.14 C ATOM 942 O ASN A 736 -16.632 -8.837 -4.161 1.00 3.36 O ATOM 943 CB ASN A 736 -18.419 -8.979 -1.518 1.00 3.66 C ATOM 944 CG ASN A 736 -19.446 -9.016 -2.631 1.00 4.18 C ATOM 945 OD1 ASN A 736 -19.503 -8.121 -3.475 1.00 4.64 O ATOM 946 ND2 ASN A 736 -20.283 -10.041 -2.628 1.00 4.60 N ATOM 0 H ASN A 736 -16.745 -9.647 0.151 1.00 3.04 H new ATOM 0 HA ASN A 736 -17.237 -10.574 -2.402 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -18.812 -9.506 -0.649 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -18.253 -7.945 -1.216 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -21.008 -10.110 -3.342 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -20.203 -10.763 -1.911 1.00 4.60 H new ATOM 953 N ARG A 737 -15.551 -7.781 -2.505 1.00 2.79 N ATOM 954 CA ARG A 737 -14.757 -6.960 -3.423 1.00 2.61 C ATOM 955 C ARG A 737 -13.487 -7.698 -3.818 1.00 2.47 C ATOM 956 O ARG A 737 -12.497 -7.650 -3.110 1.00 3.05 O ATOM 957 CB ARG A 737 -14.382 -5.604 -2.807 1.00 2.49 C ATOM 958 CG ARG A 737 -14.199 -5.626 -1.299 1.00 2.59 C ATOM 959 CD ARG A 737 -15.508 -5.358 -0.580 1.00 3.00 C ATOM 960 NE ARG A 737 -16.035 -4.026 -0.878 1.00 3.54 N ATOM 961 CZ ARG A 737 -16.574 -3.217 0.031 1.00 4.23 C ATOM 962 NH1 ARG A 737 -16.650 -3.593 1.302 1.00 4.51 N ATOM 963 NH2 ARG A 737 -17.029 -2.022 -0.331 1.00 4.95 N ATOM 0 H ARG A 737 -15.394 -7.586 -1.516 1.00 2.79 H new ATOM 0 HA ARG A 737 -15.373 -6.774 -4.303 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -13.458 -5.253 -3.267 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -15.157 -4.879 -3.056 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -13.805 -6.595 -0.993 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -13.462 -4.877 -1.009 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -16.241 -6.111 -0.869 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -15.358 -5.456 0.495 1.00 3.00 H new ATOM 0 HE ARG A 737 -15.986 -3.697 -1.842 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -16.294 -4.506 1.586 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -17.064 -2.969 1.995 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -16.965 -1.725 -1.305 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -17.442 -1.401 0.365 1.00 4.95 H new ATOM 977 N PHE A 738 -13.508 -8.381 -4.946 1.00 2.24 N ATOM 978 CA PHE A 738 -12.367 -9.190 -5.339 1.00 2.27 C ATOM 979 C PHE A 738 -11.523 -8.468 -6.385 1.00 2.12 C ATOM 980 O PHE A 738 -11.930 -8.335 -7.538 1.00 2.16 O ATOM 981 CB PHE A 738 -12.832 -10.545 -5.872 1.00 2.70 C ATOM 982 CG PHE A 738 -11.744 -11.579 -5.899 1.00 3.11 C ATOM 983 CD1 PHE A 738 -11.109 -11.912 -7.083 1.00 3.38 C ATOM 984 CD2 PHE A 738 -11.351 -12.215 -4.731 1.00 3.68 C ATOM 985 CE1 PHE A 738 -10.105 -12.860 -7.103 1.00 4.26 C ATOM 986 CE2 PHE A 738 -10.349 -13.163 -4.744 1.00 4.52 C ATOM 987 CZ PHE A 738 -9.724 -13.486 -5.931 1.00 4.83 C ATOM 0 H PHE A 738 -14.291 -8.394 -5.600 1.00 2.24 H new ATOM 0 HA PHE A 738 -11.748 -9.356 -4.457 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -13.653 -10.908 -5.254 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -13.225 -10.415 -6.880 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -11.402 -11.425 -8.001 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -11.836 -11.965 -3.799 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -9.618 -13.112 -8.033 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -10.054 -13.651 -3.827 1.00 4.52 H new ATOM 0 HZ PHE A 738 -8.938 -14.227 -5.944 1.00 4.83 H new ATOM 997 N HIS A 739 -10.354 -7.995 -5.967 1.00 2.05 N ATOM 998 CA HIS A 739 -9.402 -7.332 -6.865 1.00 2.04 C ATOM 999 C HIS A 739 -7.981 -7.540 -6.354 1.00 1.03 C ATOM 1000 O HIS A 739 -7.778 -8.257 -5.376 1.00 1.01 O ATOM 1001 CB HIS A 739 -9.696 -5.831 -6.999 1.00 2.97 C ATOM 1002 CG HIS A 739 -10.821 -5.509 -7.937 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -11.861 -4.672 -7.606 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -11.053 -5.904 -9.213 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -12.686 -4.570 -8.631 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -12.219 -5.307 -9.621 1.00 5.71 N ATOM 0 H HIS A 739 -10.036 -8.058 -5.000 1.00 2.05 H new ATOM 0 HA HIS A 739 -9.508 -7.779 -7.853 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -9.932 -5.429 -6.014 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -8.794 -5.324 -7.343 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -10.434 -6.566 -9.800 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -13.592 -3.982 -8.655 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -12.653 -5.415 -10.538 1.00 5.71 H new ATOM 1015 N ARG A 740 -7.001 -6.911 -7.002 1.00 0.94 N ATOM 1016 CA ARG A 740 -5.601 -7.159 -6.667 1.00 1.03 C ATOM 1017 C ARG A 740 -4.701 -5.932 -6.841 1.00 0.82 C ATOM 1018 O ARG A 740 -3.571 -5.955 -6.385 1.00 1.05 O ATOM 1019 CB ARG A 740 -5.049 -8.319 -7.497 1.00 2.21 C ATOM 1020 CG ARG A 740 -5.253 -8.165 -8.994 1.00 3.05 C ATOM 1021 CD ARG A 740 -4.570 -9.286 -9.758 1.00 4.00 C ATOM 1022 NE ARG A 740 -5.037 -9.372 -11.139 1.00 4.84 N ATOM 1023 CZ ARG A 740 -4.505 -10.176 -12.056 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -3.419 -10.891 -11.778 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -5.050 -10.249 -13.261 1.00 6.71 N ATOM 0 H ARG A 740 -7.148 -6.235 -7.752 1.00 0.94 H new ATOM 0 HA ARG A 740 -5.589 -7.413 -5.607 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -3.983 -8.420 -7.295 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -5.524 -9.244 -7.170 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -6.319 -8.164 -9.220 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -4.856 -7.204 -9.321 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -3.492 -9.126 -9.749 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -4.755 -10.234 -9.253 1.00 4.00 H new ATOM 0 HE ARG A 740 -5.819 -8.779 -11.418 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -2.987 -10.826 -10.856 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -3.017 -11.505 -12.487 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -5.874 -9.690 -13.483 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -4.646 -10.864 -13.967 1.00 6.71 H new ATOM 1039 N VAL A 741 -5.234 -4.837 -7.385 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.418 -3.687 -7.785 1.00 0.46 C ATOM 1041 C VAL A 741 -4.849 -2.440 -7.017 1.00 0.43 C ATOM 1042 O VAL A 741 -5.966 -2.362 -6.552 1.00 0.46 O ATOM 1043 CB VAL A 741 -4.540 -3.413 -9.294 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -4.020 -4.590 -10.099 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -5.977 -3.081 -9.679 1.00 1.06 C ATOM 0 H VAL A 741 -6.232 -4.721 -7.560 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.380 -3.925 -7.553 1.00 0.46 H new ATOM 0 HB VAL A 741 -3.925 -2.544 -9.528 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -4.116 -4.374 -11.163 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -2.971 -4.761 -9.857 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -4.599 -5.481 -9.856 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -6.032 -2.892 -10.751 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -6.625 -3.920 -9.424 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -6.303 -2.193 -9.137 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.957 -1.484 -6.828 1.00 0.42 N ATOM 1056 CA PHE A 742 -4.318 -0.282 -6.090 1.00 0.42 C ATOM 1057 C PHE A 742 -5.065 0.687 -7.000 1.00 0.45 C ATOM 1058 O PHE A 742 -4.532 1.184 -7.998 1.00 0.55 O ATOM 1059 CB PHE A 742 -3.084 0.341 -5.394 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.632 1.672 -5.920 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -1.528 1.740 -6.734 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -3.307 2.843 -5.602 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -1.090 2.950 -7.236 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -2.878 4.059 -6.096 1.00 0.75 C ATOM 1065 CZ PHE A 742 -1.767 4.112 -6.917 1.00 1.13 C ATOM 0 H PHE A 742 -2.995 -1.512 -7.167 1.00 0.42 H new ATOM 0 HA PHE A 742 -5.003 -0.544 -5.284 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -3.307 0.449 -4.333 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -2.254 -0.360 -5.476 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -0.995 0.835 -6.985 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -4.176 2.802 -4.962 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -0.221 2.988 -7.876 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.408 4.965 -5.842 1.00 0.75 H new ATOM 0 HZ PHE A 742 -1.429 5.060 -7.309 1.00 1.13 H new ATOM 1075 N LEU A 743 -6.330 0.888 -6.672 1.00 0.48 N ATOM 1076 CA LEU A 743 -7.229 1.687 -7.485 1.00 0.61 C ATOM 1077 C LEU A 743 -7.218 3.162 -7.067 1.00 0.55 C ATOM 1078 O LEU A 743 -6.873 3.492 -5.930 1.00 0.48 O ATOM 1079 CB LEU A 743 -8.649 1.122 -7.385 1.00 0.78 C ATOM 1080 CG LEU A 743 -8.796 -0.348 -7.777 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -10.203 -0.842 -7.476 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -8.475 -0.537 -9.250 1.00 1.67 C ATOM 0 H LEU A 743 -6.763 0.501 -5.833 1.00 0.48 H new ATOM 0 HA LEU A 743 -6.883 1.638 -8.518 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -9.000 1.245 -6.360 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -9.305 1.718 -8.020 1.00 0.78 H new ATOM 0 HG LEU A 743 -8.090 -0.934 -7.188 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -10.289 -1.890 -7.761 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -10.405 -0.738 -6.410 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -10.925 -0.252 -8.041 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -8.584 -1.589 -9.514 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -9.160 0.061 -9.851 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -7.450 -0.219 -9.443 1.00 1.67 H new ATOM 1094 N PRO A 744 -7.593 4.062 -8.000 1.00 0.66 N ATOM 1095 CA PRO A 744 -7.763 5.505 -7.737 1.00 0.67 C ATOM 1096 C PRO A 744 -8.747 5.791 -6.597 1.00 0.62 C ATOM 1097 O PRO A 744 -9.471 4.890 -6.160 1.00 0.64 O ATOM 1098 CB PRO A 744 -8.301 6.066 -9.061 1.00 0.80 C ATOM 1099 CG PRO A 744 -8.762 4.880 -9.834 1.00 1.06 C ATOM 1100 CD PRO A 744 -7.880 3.744 -9.407 1.00 0.83 C ATOM 0 HA PRO A 744 -6.825 5.960 -7.420 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -9.120 6.765 -8.888 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -7.526 6.610 -9.601 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -9.809 4.661 -9.626 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -8.680 5.057 -10.906 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -8.382 2.782 -9.509 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -6.969 3.693 -10.004 1.00 0.83 H new ATOM 1108 N SER A 745 -8.754 7.050 -6.128 1.00 0.64 N ATOM 1109 CA SER A 745 -9.555 7.488 -4.974 1.00 0.67 C ATOM 1110 C SER A 745 -10.926 6.815 -4.952 1.00 0.73 C ATOM 1111 O SER A 745 -11.692 6.893 -5.913 1.00 0.78 O ATOM 1112 CB SER A 745 -9.708 9.007 -5.017 1.00 0.74 C ATOM 1113 OG SER A 745 -8.448 9.629 -5.218 1.00 1.20 O ATOM 0 H SER A 745 -8.199 7.798 -6.543 1.00 0.64 H new ATOM 0 HA SER A 745 -9.036 7.195 -4.061 1.00 0.67 H new ATOM 0 HB2 SER A 745 -10.390 9.287 -5.820 1.00 0.74 H new ATOM 0 HB3 SER A 745 -10.150 9.360 -4.085 1.00 0.74 H new ATOM 0 HG SER A 745 -8.564 10.602 -5.245 1.00 1.20 H new ATOM 1119 N HIS A 746 -11.227 6.155 -3.845 1.00 0.81 N ATOM 1120 CA HIS A 746 -12.294 5.174 -3.823 1.00 0.91 C ATOM 1121 C HIS A 746 -13.056 5.196 -2.501 1.00 0.96 C ATOM 1122 O HIS A 746 -12.563 5.692 -1.490 1.00 1.15 O ATOM 1123 CB HIS A 746 -11.673 3.799 -4.064 1.00 1.10 C ATOM 1124 CG HIS A 746 -12.284 3.063 -5.220 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -11.829 3.185 -6.514 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -13.321 2.195 -5.269 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -12.561 2.425 -7.308 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -13.474 1.813 -6.578 1.00 3.89 N ATOM 0 H HIS A 746 -10.748 6.282 -2.954 1.00 0.81 H new ATOM 0 HA HIS A 746 -13.018 5.409 -4.603 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -10.604 3.918 -4.242 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -11.781 3.197 -3.162 1.00 1.10 H new ATOM 0 HD1 HIS A 746 -11.049 3.771 -6.812 1.00 2.92 H new ATOM 0 HD2 HIS A 746 -13.918 1.864 -4.432 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -12.434 2.322 -8.375 1.00 3.88 H new ATOM 1137 N SER A 747 -14.269 4.646 -2.531 1.00 0.93 N ATOM 1138 CA SER A 747 -15.163 4.643 -1.377 1.00 1.06 C ATOM 1139 C SER A 747 -14.831 3.513 -0.395 1.00 1.39 C ATOM 1140 O SER A 747 -15.388 3.453 0.701 1.00 1.67 O ATOM 1141 CB SER A 747 -16.606 4.497 -1.862 1.00 1.10 C ATOM 1142 OG SER A 747 -16.839 5.306 -3.004 1.00 1.34 O ATOM 0 H SER A 747 -14.658 4.190 -3.356 1.00 0.93 H new ATOM 0 HA SER A 747 -15.033 5.586 -0.846 1.00 1.06 H new ATOM 0 HB2 SER A 747 -16.810 3.454 -2.103 1.00 1.10 H new ATOM 0 HB3 SER A 747 -17.293 4.780 -1.064 1.00 1.10 H new ATOM 0 HG SER A 747 -17.767 5.196 -3.299 1.00 1.34 H new ATOM 1148 N LEU A 748 -13.919 2.623 -0.788 1.00 1.54 N ATOM 1149 CA LEU A 748 -13.572 1.455 0.030 1.00 1.97 C ATOM 1150 C LEU A 748 -12.667 1.837 1.204 1.00 1.72 C ATOM 1151 O LEU A 748 -12.149 0.975 1.916 1.00 2.07 O ATOM 1152 CB LEU A 748 -12.916 0.366 -0.839 1.00 2.49 C ATOM 1153 CG LEU A 748 -11.751 0.814 -1.738 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -10.472 1.024 -0.938 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -11.518 -0.202 -2.845 1.00 3.52 C ATOM 0 H LEU A 748 -13.406 2.687 -1.667 1.00 1.54 H new ATOM 0 HA LEU A 748 -14.495 1.055 0.449 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -12.555 -0.424 -0.181 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -13.686 -0.075 -1.473 1.00 2.49 H new ATOM 0 HG LEU A 748 -12.025 1.771 -2.182 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -9.672 1.340 -1.607 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -10.637 1.792 -0.182 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -10.190 0.091 -0.451 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -10.691 0.128 -3.473 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -11.276 -1.170 -2.406 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -12.420 -0.293 -3.451 1.00 3.52 H new ATOM 1167 N ASP A 749 -12.499 3.133 1.405 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.616 3.668 2.438 1.00 0.97 C ATOM 1169 C ASP A 749 -12.340 3.803 3.767 1.00 0.91 C ATOM 1170 O ASP A 749 -11.985 4.616 4.619 1.00 1.13 O ATOM 1171 CB ASP A 749 -11.025 4.986 1.944 1.00 0.85 C ATOM 1172 CG ASP A 749 -9.981 4.705 0.886 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -8.787 4.975 1.138 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -10.341 4.245 -0.219 1.00 1.85 O ATOM 0 H ASP A 749 -12.972 3.851 0.856 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.795 2.975 2.623 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -11.812 5.619 1.534 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -10.578 5.531 2.776 1.00 0.85 H new ATOM 1179 N THR A 750 -13.357 2.974 3.920 1.00 1.03 N ATOM 1180 CA THR A 750 -14.023 2.768 5.188 1.00 1.16 C ATOM 1181 C THR A 750 -13.208 1.794 6.040 1.00 1.58 C ATOM 1182 O THR A 750 -12.287 1.138 5.536 1.00 2.13 O ATOM 1183 CB THR A 750 -15.448 2.226 4.972 1.00 1.60 C ATOM 1184 OG1 THR A 750 -15.449 1.252 3.917 1.00 2.42 O ATOM 1185 CG2 THR A 750 -16.408 3.354 4.628 1.00 2.13 C ATOM 0 H THR A 750 -13.746 2.420 3.157 1.00 1.03 H new ATOM 0 HA THR A 750 -14.099 3.724 5.707 1.00 1.16 H new ATOM 0 HB THR A 750 -15.779 1.757 5.899 1.00 1.60 H new ATOM 0 HG1 THR A 750 -16.359 0.911 3.787 1.00 2.42 H new ATOM 0 HG21 THR A 750 -17.409 2.948 4.480 1.00 2.13 H new ATOM 0 HG22 THR A 750 -16.427 4.077 5.444 1.00 2.13 H new ATOM 0 HG23 THR A 750 -16.077 3.847 3.714 1.00 2.13 H new ATOM 1193 N VAL A 751 -13.529 1.711 7.323 1.00 1.82 N ATOM 1194 CA VAL A 751 -12.740 0.925 8.261 1.00 2.44 C ATOM 1195 C VAL A 751 -12.891 -0.571 7.996 1.00 2.14 C ATOM 1196 O VAL A 751 -13.925 -1.171 8.300 1.00 2.27 O ATOM 1197 CB VAL A 751 -13.144 1.221 9.721 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -12.213 0.514 10.696 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -13.161 2.720 9.983 1.00 4.17 C ATOM 0 H VAL A 751 -14.333 2.180 7.740 1.00 1.82 H new ATOM 0 HA VAL A 751 -11.699 1.211 8.113 1.00 2.44 H new ATOM 0 HB VAL A 751 -14.152 0.837 9.877 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -12.518 0.738 11.718 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -12.262 -0.562 10.530 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -11.191 0.859 10.539 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -13.448 2.905 11.018 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -12.168 3.132 9.803 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -13.879 3.198 9.316 1.00 4.17 H new ATOM 1209 N SER A 752 -11.855 -1.157 7.407 1.00 2.23 N ATOM 1210 CA SER A 752 -11.806 -2.586 7.155 1.00 2.12 C ATOM 1211 C SER A 752 -10.369 -3.070 7.335 1.00 2.30 C ATOM 1212 O SER A 752 -9.462 -2.581 6.674 1.00 2.26 O ATOM 1213 CB SER A 752 -12.301 -2.894 5.734 1.00 2.47 C ATOM 1214 OG SER A 752 -12.717 -4.247 5.613 1.00 2.95 O ATOM 0 H SER A 752 -11.027 -0.652 7.092 1.00 2.23 H new ATOM 0 HA SER A 752 -12.456 -3.105 7.859 1.00 2.12 H new ATOM 0 HB2 SER A 752 -13.131 -2.233 5.485 1.00 2.47 H new ATOM 0 HB3 SER A 752 -11.505 -2.691 5.018 1.00 2.47 H new ATOM 0 HG SER A 752 -13.546 -4.289 5.092 1.00 2.95 H new ATOM 1220 N PRO A 753 -10.129 -3.977 8.287 1.00 2.99 N ATOM 1221 CA PRO A 753 -8.786 -4.518 8.535 1.00 3.72 C ATOM 1222 C PRO A 753 -8.292 -5.459 7.430 1.00 3.48 C ATOM 1223 O PRO A 753 -7.088 -5.629 7.236 1.00 3.96 O ATOM 1224 CB PRO A 753 -8.953 -5.287 9.848 1.00 4.69 C ATOM 1225 CG PRO A 753 -10.397 -5.654 9.897 1.00 4.49 C ATOM 1226 CD PRO A 753 -11.137 -4.543 9.205 1.00 3.44 C ATOM 0 HA PRO A 753 -8.041 -3.723 8.569 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -8.319 -6.173 9.870 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -8.672 -4.673 10.704 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -10.573 -6.608 9.400 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -10.736 -5.764 10.927 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -12.007 -4.916 8.665 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -11.497 -3.798 9.914 1.00 3.44 H new ATOM 1234 N SER A 754 -9.225 -6.080 6.721 1.00 2.99 N ATOM 1235 CA SER A 754 -8.897 -7.156 5.804 1.00 3.13 C ATOM 1236 C SER A 754 -8.835 -6.717 4.341 1.00 2.22 C ATOM 1237 O SER A 754 -8.443 -7.494 3.471 1.00 2.49 O ATOM 1238 CB SER A 754 -9.935 -8.253 5.971 1.00 3.71 C ATOM 1239 OG SER A 754 -11.209 -7.700 6.278 1.00 4.37 O ATOM 0 H SER A 754 -10.219 -5.854 6.766 1.00 2.99 H new ATOM 0 HA SER A 754 -7.896 -7.509 6.052 1.00 3.13 H new ATOM 0 HB2 SER A 754 -10.000 -8.841 5.056 1.00 3.71 H new ATOM 0 HB3 SER A 754 -9.628 -8.933 6.766 1.00 3.71 H new ATOM 0 HG SER A 754 -11.863 -8.422 6.380 1.00 4.37 H new ATOM 1245 N ASP A 755 -9.234 -5.492 4.070 1.00 1.48 N ATOM 1246 CA ASP A 755 -9.257 -4.981 2.703 1.00 0.96 C ATOM 1247 C ASP A 755 -7.846 -4.713 2.170 1.00 1.01 C ATOM 1248 O ASP A 755 -6.855 -4.914 2.875 1.00 1.88 O ATOM 1249 CB ASP A 755 -10.182 -3.772 2.525 1.00 1.69 C ATOM 1250 CG ASP A 755 -9.545 -2.454 2.864 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -9.081 -1.768 1.935 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -9.557 -2.073 4.044 1.00 2.95 O ATOM 0 H ASP A 755 -9.549 -4.826 4.775 1.00 1.48 H new ATOM 0 HA ASP A 755 -9.688 -5.774 2.092 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -10.526 -3.741 1.491 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -11.064 -3.908 3.151 1.00 1.69 H new ATOM 1257 N THR A 756 -7.803 -4.273 0.919 1.00 0.93 N ATOM 1258 CA THR A 756 -6.659 -4.372 0.008 1.00 0.99 C ATOM 1259 C THR A 756 -5.260 -4.411 0.638 1.00 0.78 C ATOM 1260 O THR A 756 -4.869 -3.565 1.437 1.00 0.89 O ATOM 1261 CB THR A 756 -6.685 -3.190 -0.969 1.00 1.43 C ATOM 1262 OG1 THR A 756 -6.433 -1.965 -0.271 1.00 1.93 O ATOM 1263 CG2 THR A 756 -8.025 -3.085 -1.663 1.00 2.05 C ATOM 0 H THR A 756 -8.604 -3.813 0.486 1.00 0.93 H new ATOM 0 HA THR A 756 -6.796 -5.345 -0.465 1.00 0.99 H new ATOM 0 HB THR A 756 -5.909 -3.363 -1.715 1.00 1.43 H new ATOM 0 HG1 THR A 756 -6.607 -1.207 -0.867 1.00 1.93 H new ATOM 0 HG21 THR A 756 -8.014 -2.238 -2.349 1.00 2.05 H new ATOM 0 HG22 THR A 756 -8.219 -4.001 -2.220 1.00 2.05 H new ATOM 0 HG23 THR A 756 -8.809 -2.940 -0.920 1.00 2.05 H new ATOM 1271 N LEU A 757 -4.512 -5.425 0.212 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.093 -5.553 0.495 1.00 0.58 C ATOM 1273 C LEU A 757 -2.293 -4.912 -0.613 1.00 0.44 C ATOM 1274 O LEU A 757 -2.697 -4.947 -1.769 1.00 0.46 O ATOM 1275 CB LEU A 757 -2.722 -7.023 0.516 1.00 0.70 C ATOM 1276 CG LEU A 757 -1.267 -7.321 0.836 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -1.043 -7.356 2.327 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -0.850 -8.620 0.177 1.00 1.66 C ATOM 0 H LEU A 757 -4.885 -6.191 -0.348 1.00 0.68 H new ATOM 0 HA LEU A 757 -2.882 -5.075 1.452 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -3.349 -7.529 1.250 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -2.959 -7.454 -0.457 1.00 0.70 H new ATOM 0 HG LEU A 757 -0.643 -6.522 0.435 1.00 0.96 H new ATOM 0 HD11 LEU A 757 0.006 -7.571 2.532 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -1.306 -6.390 2.757 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -1.666 -8.133 2.770 1.00 1.53 H new ATOM 0 HD21 LEU A 757 0.194 -8.828 0.411 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -1.474 -9.433 0.549 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -0.970 -8.535 -0.903 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.150 -4.367 -0.272 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.226 -3.932 -1.249 1.00 0.40 C ATOM 1292 C LEU A 758 1.000 -4.797 -1.217 1.00 0.35 C ATOM 1293 O LEU A 758 1.545 -5.133 -0.143 1.00 0.40 O ATOM 1294 CB LEU A 758 0.106 -2.460 -1.013 1.00 0.54 C ATOM 1295 CG LEU A 758 1.306 -1.956 -1.781 1.00 0.60 C ATOM 1296 CD1 LEU A 758 1.179 -0.472 -2.085 1.00 1.19 C ATOM 1297 CD2 LEU A 758 2.583 -2.224 -1.014 1.00 1.13 C ATOM 0 H LEU A 758 -0.850 -4.220 0.692 1.00 0.39 H new ATOM 0 HA LEU A 758 -0.662 -4.023 -2.244 1.00 0.40 H new ATOM 0 HB2 LEU A 758 -0.761 -1.857 -1.283 1.00 0.54 H new ATOM 0 HB3 LEU A 758 0.282 -2.307 0.052 1.00 0.54 H new ATOM 0 HG LEU A 758 1.345 -2.496 -2.727 1.00 0.60 H new ATOM 0 HD11 LEU A 758 2.057 -0.137 -2.638 1.00 1.19 H new ATOM 0 HD12 LEU A 758 0.285 -0.298 -2.684 1.00 1.19 H new ATOM 0 HD13 LEU A 758 1.104 0.086 -1.151 1.00 1.19 H new ATOM 0 HD21 LEU A 758 3.435 -1.853 -1.584 1.00 1.13 H new ATOM 0 HD22 LEU A 758 2.542 -1.715 -0.051 1.00 1.13 H new ATOM 0 HD23 LEU A 758 2.693 -3.297 -0.854 1.00 1.13 H new ATOM 1309 N CYS A 759 1.364 -5.265 -2.391 1.00 0.35 N ATOM 1310 CA CYS A 759 2.647 -5.873 -2.553 1.00 0.36 C ATOM 1311 C CYS A 759 3.266 -5.482 -3.894 1.00 0.36 C ATOM 1312 O CYS A 759 2.903 -6.042 -4.927 1.00 0.40 O ATOM 1313 CB CYS A 759 2.501 -7.387 -2.378 1.00 0.46 C ATOM 1314 SG CYS A 759 1.340 -8.193 -3.502 1.00 1.55 S ATOM 0 H CYS A 759 0.790 -5.233 -3.233 1.00 0.35 H new ATOM 0 HA CYS A 759 3.337 -5.512 -1.790 1.00 0.36 H new ATOM 0 HB2 CYS A 759 3.481 -7.846 -2.506 1.00 0.46 H new ATOM 0 HB3 CYS A 759 2.187 -7.588 -1.354 1.00 0.46 H new ATOM 0 HG CYS A 759 1.310 -9.469 -3.253 1.00 1.55 H new ATOM 1320 N PHE A 760 4.189 -4.525 -3.901 1.00 0.36 N ATOM 1321 CA PHE A 760 4.986 -4.282 -5.094 1.00 0.41 C ATOM 1322 C PHE A 760 6.457 -4.079 -4.788 1.00 0.36 C ATOM 1323 O PHE A 760 6.831 -3.659 -3.691 1.00 0.50 O ATOM 1324 CB PHE A 760 4.444 -3.135 -5.925 1.00 0.68 C ATOM 1325 CG PHE A 760 4.217 -3.564 -7.343 1.00 1.79 C ATOM 1326 CD1 PHE A 760 3.604 -4.779 -7.601 1.00 2.53 C ATOM 1327 CD2 PHE A 760 4.607 -2.774 -8.408 1.00 2.16 C ATOM 1328 CE1 PHE A 760 3.386 -5.200 -8.899 1.00 3.60 C ATOM 1329 CE2 PHE A 760 4.392 -3.187 -9.709 1.00 3.23 C ATOM 1330 CZ PHE A 760 3.781 -4.402 -9.954 1.00 3.94 C ATOM 0 H PHE A 760 4.400 -3.917 -3.110 1.00 0.36 H new ATOM 0 HA PHE A 760 4.904 -5.191 -5.690 1.00 0.41 H new ATOM 0 HB2 PHE A 760 3.508 -2.779 -5.494 1.00 0.68 H new ATOM 0 HB3 PHE A 760 5.144 -2.300 -5.901 1.00 0.68 H new ATOM 0 HD1 PHE A 760 3.293 -5.405 -6.778 1.00 2.53 H new ATOM 0 HD2 PHE A 760 5.085 -1.824 -8.221 1.00 2.16 H new ATOM 0 HE1 PHE A 760 2.908 -6.150 -9.087 1.00 3.60 H new ATOM 0 HE2 PHE A 760 4.701 -2.561 -10.533 1.00 3.23 H new ATOM 0 HZ PHE A 760 3.613 -4.727 -10.970 1.00 3.94 H new ATOM 1340 N GLU A 761 7.280 -4.451 -5.749 1.00 0.35 N ATOM 1341 CA GLU A 761 8.714 -4.245 -5.670 1.00 0.40 C ATOM 1342 C GLU A 761 9.205 -3.350 -6.811 1.00 0.61 C ATOM 1343 O GLU A 761 9.061 -3.702 -7.984 1.00 0.79 O ATOM 1344 CB GLU A 761 9.452 -5.590 -5.703 1.00 0.52 C ATOM 1345 CG GLU A 761 9.112 -6.451 -6.912 1.00 1.26 C ATOM 1346 CD GLU A 761 10.059 -7.617 -7.087 1.00 1.49 C ATOM 1347 OE1 GLU A 761 11.204 -7.405 -7.528 1.00 1.96 O ATOM 1348 OE2 GLU A 761 9.664 -8.759 -6.771 1.00 1.88 O ATOM 0 H GLU A 761 6.973 -4.906 -6.609 1.00 0.35 H new ATOM 0 HA GLU A 761 8.929 -3.746 -4.725 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.526 -5.404 -5.692 1.00 0.52 H new ATOM 0 HB3 GLU A 761 9.215 -6.146 -4.796 1.00 0.52 H new ATOM 0 HG2 GLU A 761 8.094 -6.828 -6.809 1.00 1.26 H new ATOM 0 HG3 GLU A 761 9.134 -5.833 -7.810 1.00 1.26 H new ATOM 1355 N LEU A 762 9.768 -2.197 -6.491 1.00 0.89 N ATOM 1356 CA LEU A 762 10.498 -1.428 -7.494 1.00 1.28 C ATOM 1357 C LEU A 762 11.930 -1.185 -7.051 1.00 0.79 C ATOM 1358 O LEU A 762 12.282 -1.455 -5.904 1.00 0.89 O ATOM 1359 CB LEU A 762 9.819 -0.090 -7.770 1.00 2.07 C ATOM 1360 CG LEU A 762 8.714 -0.129 -8.831 1.00 3.10 C ATOM 1361 CD1 LEU A 762 7.397 -0.600 -8.239 1.00 3.72 C ATOM 1362 CD2 LEU A 762 8.562 1.232 -9.492 1.00 3.94 C ATOM 0 H LEU A 762 9.737 -1.775 -5.563 1.00 0.89 H new ATOM 0 HA LEU A 762 10.501 -2.015 -8.412 1.00 1.28 H new ATOM 0 HB2 LEU A 762 9.394 0.283 -6.838 1.00 2.07 H new ATOM 0 HB3 LEU A 762 10.578 0.627 -8.084 1.00 2.07 H new ATOM 0 HG LEU A 762 9.004 -0.850 -9.595 1.00 3.10 H new ATOM 0 HD11 LEU A 762 6.634 -0.617 -9.017 1.00 3.72 H new ATOM 0 HD12 LEU A 762 7.520 -1.603 -7.830 1.00 3.72 H new ATOM 0 HD13 LEU A 762 7.091 0.081 -7.445 1.00 3.72 H new ATOM 0 HD21 LEU A 762 7.773 1.186 -10.243 1.00 3.94 H new ATOM 0 HD22 LEU A 762 8.303 1.976 -8.738 1.00 3.94 H new ATOM 0 HD23 LEU A 762 9.501 1.512 -9.969 1.00 3.94 H new ATOM 1374 N LEU A 763 12.763 -0.717 -7.968 1.00 1.06 N ATOM 1375 CA LEU A 763 14.080 -0.247 -7.607 1.00 0.98 C ATOM 1376 C LEU A 763 14.040 1.270 -7.571 1.00 0.79 C ATOM 1377 O LEU A 763 13.766 1.919 -8.584 1.00 1.44 O ATOM 1378 CB LEU A 763 15.129 -0.754 -8.617 1.00 1.81 C ATOM 1379 CG LEU A 763 16.613 -0.530 -8.256 1.00 2.42 C ATOM 1380 CD1 LEU A 763 17.029 0.922 -8.442 1.00 2.97 C ATOM 1381 CD2 LEU A 763 16.896 -0.978 -6.832 1.00 3.32 C ATOM 0 H LEU A 763 12.546 -0.655 -8.963 1.00 1.06 H new ATOM 0 HA LEU A 763 14.367 -0.630 -6.628 1.00 0.98 H new ATOM 0 HB2 LEU A 763 14.973 -1.823 -8.760 1.00 1.81 H new ATOM 0 HB3 LEU A 763 14.937 -0.272 -9.576 1.00 1.81 H new ATOM 0 HG LEU A 763 17.205 -1.137 -8.942 1.00 2.42 H new ATOM 0 HD11 LEU A 763 18.080 1.036 -8.177 1.00 2.97 H new ATOM 0 HD12 LEU A 763 16.884 1.212 -9.483 1.00 2.97 H new ATOM 0 HD13 LEU A 763 16.422 1.560 -7.800 1.00 2.97 H new ATOM 0 HD21 LEU A 763 17.948 -0.811 -6.600 1.00 3.32 H new ATOM 0 HD22 LEU A 763 16.277 -0.406 -6.141 1.00 3.32 H new ATOM 0 HD23 LEU A 763 16.667 -2.039 -6.732 1.00 3.32 H new ATOM 1393 N SER A 764 14.313 1.815 -6.409 1.00 0.58 N ATOM 1394 CA SER A 764 14.374 3.239 -6.211 1.00 0.61 C ATOM 1395 C SER A 764 15.001 3.478 -4.850 1.00 0.71 C ATOM 1396 O SER A 764 14.672 2.779 -3.891 1.00 1.17 O ATOM 1397 CB SER A 764 12.965 3.840 -6.280 1.00 1.02 C ATOM 1398 OG SER A 764 12.989 5.261 -6.254 1.00 1.67 O ATOM 0 H SER A 764 14.501 1.273 -5.566 1.00 0.58 H new ATOM 0 HA SER A 764 14.970 3.718 -6.988 1.00 0.61 H new ATOM 0 HB2 SER A 764 12.471 3.503 -7.191 1.00 1.02 H new ATOM 0 HB3 SER A 764 12.373 3.472 -5.442 1.00 1.02 H new ATOM 0 HG SER A 764 12.237 5.610 -6.777 1.00 1.67 H new ATOM 1404 N SER A 765 15.920 4.415 -4.755 1.00 0.99 N ATOM 1405 CA SER A 765 16.621 4.629 -3.504 1.00 1.18 C ATOM 1406 C SER A 765 16.258 5.964 -2.866 1.00 1.13 C ATOM 1407 O SER A 765 16.616 7.025 -3.385 1.00 1.21 O ATOM 1408 CB SER A 765 18.129 4.546 -3.737 1.00 1.51 C ATOM 1409 OG SER A 765 18.485 3.285 -4.282 1.00 2.10 O ATOM 0 H SER A 765 16.198 5.034 -5.517 1.00 0.99 H new ATOM 0 HA SER A 765 16.313 3.846 -2.811 1.00 1.18 H new ATOM 0 HB2 SER A 765 18.441 5.341 -4.414 1.00 1.51 H new ATOM 0 HB3 SER A 765 18.656 4.703 -2.796 1.00 1.51 H new ATOM 0 HG SER A 765 19.454 3.252 -4.425 1.00 2.10 H new ATOM 1415 N GLU A 766 15.517 5.891 -1.756 1.00 1.43 N ATOM 1416 CA GLU A 766 15.307 7.030 -0.866 1.00 1.74 C ATOM 1417 C GLU A 766 14.752 8.242 -1.610 1.00 2.11 C ATOM 1418 O GLU A 766 13.588 8.184 -2.061 1.00 2.79 O ATOM 1419 CB GLU A 766 16.629 7.369 -0.168 1.00 2.48 C ATOM 1420 CG GLU A 766 17.239 6.174 0.555 1.00 3.22 C ATOM 1421 CD GLU A 766 18.672 6.406 0.983 1.00 4.06 C ATOM 1422 OE1 GLU A 766 18.895 6.768 2.161 1.00 4.70 O ATOM 1423 OE2 GLU A 766 19.586 6.234 0.150 1.00 4.47 O ATOM 1424 OXT GLU A 766 15.479 9.246 -1.751 1.00 2.51 O ATOM 0 H GLU A 766 15.047 5.039 -1.452 1.00 1.43 H new ATOM 0 HA GLU A 766 14.560 6.757 -0.121 1.00 1.74 H new ATOM 0 HB2 GLU A 766 17.339 7.742 -0.906 1.00 2.48 H new ATOM 0 HB3 GLU A 766 16.461 8.174 0.548 1.00 2.48 H new ATOM 0 HG2 GLU A 766 16.637 5.943 1.434 1.00 3.22 H new ATOM 0 HG3 GLU A 766 17.198 5.302 -0.098 1.00 3.22 H new