USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=27 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 707 ASN : amide:sc= -0.265 K(o=-0.27,f=-2.8!) USER MOD Set 1.2: A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 679 LYS NZ :NH3+ -160:sc= 0.393 (180deg=-0.0425) USER MOD Single : A 680 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.018) USER MOD Single : A 681 LYS NZ :NH3+ -163:sc= 0.515 (180deg=-0.482!) 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 160:sc= 1.2 USER MOD Single : A 695 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0704) USER MOD Single : A 698 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00833) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 704 SER OG : rot 170:sc= -1.87! USER MOD Single : A 705 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.23) USER MOD Single : A 709 THR OG1 : rot 160:sc= 0.77 USER MOD Single : A 711 SER OG : rot -98:sc= 1.21 USER MOD Single : A 716 SER OG : rot 75:sc=-0.00404 USER MOD Single : A 718 SER OG : rot 13:sc= -1.57! USER MOD Single : A 719 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 720 SER OG : rot 90:sc= 1.27 USER MOD Single : A 722 HIS : no HE2:sc= 0.968 K(o=0.97,f=-3.2!) USER MOD Single : A 724 LYS NZ :NH3+ -120:sc= 1.12 (180deg=-0.929) USER MOD Single : A 727 ASN : amide:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 735 LYS NZ :NH3+ -165:sc= -0.0217 (180deg=-0.223) USER MOD Single : A 736 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.025) USER MOD Single : A 739 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-0.83) USER MOD Single : A 745 SER OG : rot 108:sc= 0.123 USER MOD Single : A 746 HIS : no HD1:sc= -0.491 K(o=-0.49,f=0.038) USER MOD Single : A 747 SER OG : rot 180:sc= 0.00157 USER MOD Single : A 750 THR OG1 : rot -91:sc= 0.0591 USER MOD Single : A 752 SER OG : rot -150:sc= -0.0391 USER MOD Single : A 754 SER OG : rot 180:sc= -0.279 USER MOD Single : A 756 THR OG1 : rot 35:sc= 0.753 USER MOD Single : A 759 CYS SG : rot -14:sc= 0.159 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 765 SER OG : rot -78:sc= 0.127 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -10.834 8.355 7.047 1.00 0.86 N ATOM 2 CA LYS A 679 -9.363 8.470 6.947 1.00 0.72 C ATOM 3 C LYS A 679 -8.691 7.246 7.581 1.00 0.66 C ATOM 4 O LYS A 679 -7.504 6.994 7.360 1.00 1.02 O ATOM 5 CB LYS A 679 -8.892 9.752 7.649 1.00 0.92 C ATOM 6 CG LYS A 679 -7.412 10.056 7.474 1.00 0.97 C ATOM 7 CD LYS A 679 -7.096 10.491 6.055 1.00 1.12 C ATOM 8 CE LYS A 679 -5.623 10.812 5.887 1.00 1.43 C ATOM 9 NZ LYS A 679 -5.357 11.533 4.620 1.00 2.26 N ATOM 0 HA LYS A 679 -9.083 8.516 5.895 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -9.471 10.594 7.269 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -9.110 9.670 8.714 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -7.116 10.841 8.170 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -6.826 9.171 7.723 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -7.379 9.701 5.360 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -7.692 11.368 5.801 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -5.285 11.418 6.728 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -5.045 9.888 5.907 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -4.351 11.440 4.372 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -5.940 11.127 3.861 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -5.593 12.539 4.737 1.00 2.26 H new ATOM 25 N GLN A 680 -9.449 6.470 8.357 1.00 0.54 N ATOM 26 CA GLN A 680 -8.865 5.356 9.095 1.00 0.71 C ATOM 27 C GLN A 680 -9.328 4.004 8.573 1.00 0.50 C ATOM 28 O GLN A 680 -10.505 3.654 8.646 1.00 0.78 O ATOM 29 CB GLN A 680 -9.192 5.455 10.583 1.00 1.24 C ATOM 30 CG GLN A 680 -8.538 6.637 11.276 1.00 1.84 C ATOM 31 CD GLN A 680 -8.804 6.668 12.767 1.00 2.28 C ATOM 32 OE1 GLN A 680 -8.849 7.734 13.376 1.00 2.61 O ATOM 33 NE2 GLN A 680 -8.965 5.501 13.369 1.00 2.98 N ATOM 0 H GLN A 680 -10.453 6.591 8.488 1.00 0.54 H new ATOM 0 HA GLN A 680 -7.787 5.426 8.948 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -10.273 5.527 10.704 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -8.877 4.536 11.077 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -7.462 6.602 11.105 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -8.902 7.561 10.828 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -8.921 4.638 12.828 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -9.134 5.465 14.374 1.00 2.98 H new ATOM 42 N LYS A 681 -8.380 3.263 8.038 1.00 0.53 N ATOM 43 CA LYS A 681 -8.553 1.857 7.725 1.00 0.44 C ATOM 44 C LYS A 681 -7.173 1.199 7.697 1.00 0.37 C ATOM 45 O LYS A 681 -6.316 1.573 6.902 1.00 0.55 O ATOM 46 CB LYS A 681 -9.341 1.664 6.412 1.00 0.63 C ATOM 47 CG LYS A 681 -8.902 2.561 5.266 1.00 0.67 C ATOM 48 CD LYS A 681 -8.037 1.825 4.255 1.00 0.70 C ATOM 49 CE LYS A 681 -8.832 1.342 3.050 1.00 0.87 C ATOM 50 NZ LYS A 681 -9.836 0.309 3.405 1.00 1.44 N ATOM 0 H LYS A 681 -7.455 3.624 7.805 1.00 0.53 H new ATOM 0 HA LYS A 681 -9.154 1.370 8.493 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -9.246 0.625 6.098 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -10.398 1.842 6.610 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -9.782 2.962 4.764 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -8.348 3.411 5.665 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -7.237 2.484 3.918 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -7.564 0.971 4.740 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -9.337 2.191 2.589 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -8.146 0.936 2.306 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -10.142 -0.188 2.544 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -9.413 -0.373 4.067 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -10.657 0.763 3.853 1.00 1.44 H new ATOM 64 N VAL A 682 -6.942 0.266 8.607 1.00 0.33 N ATOM 65 CA VAL A 682 -5.606 -0.280 8.808 1.00 0.35 C ATOM 66 C VAL A 682 -5.280 -1.377 7.806 1.00 0.37 C ATOM 67 O VAL A 682 -5.831 -2.471 7.871 1.00 0.46 O ATOM 68 CB VAL A 682 -5.466 -0.845 10.234 1.00 0.49 C ATOM 69 CG1 VAL A 682 -4.122 -1.521 10.415 1.00 1.36 C ATOM 70 CG2 VAL A 682 -5.663 0.254 11.267 1.00 1.32 C ATOM 0 H VAL A 682 -7.658 -0.129 9.217 1.00 0.33 H new ATOM 0 HA VAL A 682 -4.903 0.540 8.660 1.00 0.35 H new ATOM 0 HB VAL A 682 -6.243 -1.595 10.382 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -4.045 -1.912 11.429 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -4.028 -2.340 9.702 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -3.325 -0.797 10.244 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -5.560 -0.165 12.268 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -4.912 1.030 11.120 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -6.658 0.685 11.154 1.00 1.32 H new ATOM 80 N LEU A 683 -4.395 -1.067 6.872 1.00 0.34 N ATOM 81 CA LEU A 683 -3.924 -2.051 5.909 1.00 0.39 C ATOM 82 C LEU A 683 -2.442 -2.338 6.105 1.00 0.38 C ATOM 83 O LEU A 683 -1.605 -1.468 5.837 1.00 0.38 O ATOM 84 CB LEU A 683 -4.159 -1.575 4.473 1.00 0.47 C ATOM 85 CG LEU A 683 -5.229 -0.502 4.309 1.00 0.82 C ATOM 86 CD1 LEU A 683 -4.597 0.884 4.386 1.00 1.44 C ATOM 87 CD2 LEU A 683 -5.973 -0.682 2.997 1.00 1.55 C ATOM 0 H LEU A 683 -3.987 -0.139 6.760 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.492 -2.966 6.078 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.219 -1.191 4.077 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -4.434 -2.435 3.863 1.00 0.47 H new ATOM 0 HG LEU A 683 -5.950 -0.601 5.121 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -5.370 1.643 4.268 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -4.111 1.009 5.353 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -3.858 0.992 3.592 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -6.732 0.094 2.900 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -5.270 -0.608 2.167 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.451 -1.661 2.981 1.00 1.55 H new ATOM 99 N PRO A 684 -2.069 -3.519 6.601 1.00 0.41 N ATOM 100 CA PRO A 684 -0.688 -3.949 6.503 1.00 0.40 C ATOM 101 C PRO A 684 -0.407 -4.518 5.116 1.00 0.38 C ATOM 102 O PRO A 684 -1.153 -5.362 4.621 1.00 0.43 O ATOM 103 CB PRO A 684 -0.588 -5.036 7.574 1.00 0.48 C ATOM 104 CG PRO A 684 -1.973 -5.593 7.693 1.00 0.65 C ATOM 105 CD PRO A 684 -2.931 -4.495 7.283 1.00 0.48 C ATOM 0 HA PRO A 684 0.032 -3.143 6.648 1.00 0.40 H new ATOM 0 HB2 PRO A 684 0.125 -5.809 7.286 1.00 0.48 H new ATOM 0 HB3 PRO A 684 -0.246 -4.624 8.523 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.093 -6.467 7.053 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -2.172 -5.916 8.715 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -3.712 -4.871 6.622 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.429 -4.055 8.147 1.00 0.48 H new ATOM 113 N VAL A 685 0.662 -4.062 4.492 1.00 0.34 N ATOM 114 CA VAL A 685 1.076 -4.601 3.196 1.00 0.33 C ATOM 115 C VAL A 685 2.347 -5.429 3.344 1.00 0.30 C ATOM 116 O VAL A 685 3.140 -5.148 4.234 1.00 0.33 O ATOM 117 CB VAL A 685 1.292 -3.484 2.163 1.00 0.39 C ATOM 118 CG1 VAL A 685 0.141 -2.489 2.215 1.00 0.45 C ATOM 119 CG2 VAL A 685 2.627 -2.787 2.376 1.00 0.60 C ATOM 0 H VAL A 685 1.263 -3.322 4.854 1.00 0.34 H new ATOM 0 HA VAL A 685 0.272 -5.243 2.835 1.00 0.33 H new ATOM 0 HB VAL A 685 1.314 -3.935 1.171 1.00 0.39 H new ATOM 0 HG11 VAL A 685 0.306 -1.703 1.478 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -0.794 -3.003 1.994 1.00 0.45 H new ATOM 0 HG13 VAL A 685 0.086 -2.048 3.210 1.00 0.45 H new ATOM 0 HG21 VAL A 685 2.751 -2.002 1.630 1.00 0.60 H new ATOM 0 HG22 VAL A 685 2.653 -2.347 3.373 1.00 0.60 H new ATOM 0 HG23 VAL A 685 3.435 -3.511 2.278 1.00 0.60 H new ATOM 129 N PHE A 686 2.550 -6.455 2.515 1.00 0.33 N ATOM 130 CA PHE A 686 3.821 -7.187 2.577 1.00 0.37 C ATOM 131 C PHE A 686 4.420 -7.436 1.205 1.00 0.44 C ATOM 132 O PHE A 686 4.051 -8.385 0.525 1.00 0.70 O ATOM 133 CB PHE A 686 3.705 -8.519 3.330 1.00 0.62 C ATOM 134 CG PHE A 686 2.373 -9.220 3.233 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.872 -9.644 2.014 1.00 1.55 C ATOM 136 CD2 PHE A 686 1.640 -9.481 4.379 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.665 -10.313 1.938 1.00 2.32 C ATOM 138 CE2 PHE A 686 0.430 -10.144 4.311 1.00 2.43 C ATOM 139 CZ PHE A 686 -0.057 -10.562 3.088 1.00 2.65 C ATOM 0 H PHE A 686 1.883 -6.789 1.819 1.00 0.33 H new ATOM 0 HA PHE A 686 4.491 -6.533 3.135 1.00 0.37 H new ATOM 0 HB2 PHE A 686 4.476 -9.193 2.956 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.922 -8.338 4.383 1.00 0.62 H new ATOM 0 HD1 PHE A 686 2.431 -9.450 1.111 1.00 1.55 H new ATOM 0 HD2 PHE A 686 2.020 -9.162 5.338 1.00 1.65 H new ATOM 0 HE1 PHE A 686 0.287 -10.640 0.981 1.00 2.32 H new ATOM 0 HE2 PHE A 686 -0.134 -10.335 5.212 1.00 2.43 H new ATOM 0 HZ PHE A 686 -1.001 -11.083 3.031 1.00 2.65 H new ATOM 149 N TYR A 687 5.340 -6.597 0.793 1.00 0.46 N ATOM 150 CA TYR A 687 6.088 -6.859 -0.416 1.00 0.69 C ATOM 151 C TYR A 687 7.569 -6.572 -0.290 1.00 0.50 C ATOM 152 O TYR A 687 8.024 -5.806 0.563 1.00 0.64 O ATOM 153 CB TYR A 687 5.488 -6.315 -1.692 1.00 1.33 C ATOM 154 CG TYR A 687 5.541 -7.392 -2.770 1.00 2.53 C ATOM 155 CD1 TYR A 687 4.964 -8.637 -2.540 1.00 3.44 C ATOM 156 CD2 TYR A 687 6.164 -7.188 -3.990 1.00 3.03 C ATOM 157 CE1 TYR A 687 5.003 -9.636 -3.492 1.00 4.64 C ATOM 158 CE2 TYR A 687 6.208 -8.182 -4.951 1.00 4.21 C ATOM 159 CZ TYR A 687 5.623 -9.403 -4.696 1.00 4.97 C ATOM 160 OH TYR A 687 5.654 -10.395 -5.650 1.00 6.20 O ATOM 0 H TYR A 687 5.589 -5.732 1.273 1.00 0.46 H new ATOM 0 HA TYR A 687 5.994 -7.939 -0.527 1.00 0.69 H new ATOM 0 HB2 TYR A 687 4.457 -6.006 -1.520 1.00 1.33 H new ATOM 0 HB3 TYR A 687 6.036 -5.431 -2.017 1.00 1.33 H new ATOM 0 HD1 TYR A 687 4.475 -8.826 -1.596 1.00 3.44 H new ATOM 0 HD2 TYR A 687 6.625 -6.233 -4.195 1.00 3.03 H new ATOM 0 HE1 TYR A 687 4.549 -10.595 -3.292 1.00 4.64 H new ATOM 0 HE2 TYR A 687 6.698 -8.002 -5.896 1.00 4.21 H new ATOM 0 HH TYR A 687 6.128 -10.071 -6.444 1.00 6.20 H new ATOM 170 N PHE A 688 8.317 -7.231 -1.137 1.00 0.57 N ATOM 171 CA PHE A 688 9.756 -7.332 -0.978 1.00 0.60 C ATOM 172 C PHE A 688 10.443 -6.071 -1.487 1.00 0.63 C ATOM 173 O PHE A 688 10.393 -5.732 -2.669 1.00 0.69 O ATOM 174 CB PHE A 688 10.261 -8.541 -1.766 1.00 0.81 C ATOM 175 CG PHE A 688 9.797 -9.858 -1.217 1.00 1.20 C ATOM 176 CD1 PHE A 688 8.510 -10.310 -1.458 1.00 1.75 C ATOM 177 CD2 PHE A 688 10.649 -10.641 -0.458 1.00 1.41 C ATOM 178 CE1 PHE A 688 8.083 -11.520 -0.953 1.00 2.40 C ATOM 179 CE2 PHE A 688 10.228 -11.853 0.049 1.00 2.00 C ATOM 180 CZ PHE A 688 8.944 -12.292 -0.196 1.00 2.48 C ATOM 0 H PHE A 688 7.952 -7.714 -1.958 1.00 0.57 H new ATOM 0 HA PHE A 688 9.988 -7.450 0.080 1.00 0.60 H new ATOM 0 HB2 PHE A 688 9.930 -8.452 -2.801 1.00 0.81 H new ATOM 0 HB3 PHE A 688 11.351 -8.526 -1.777 1.00 0.81 H new ATOM 0 HD1 PHE A 688 7.834 -9.708 -2.048 1.00 1.75 H new ATOM 0 HD2 PHE A 688 11.654 -10.300 -0.260 1.00 1.41 H new ATOM 0 HE1 PHE A 688 7.078 -11.864 -1.149 1.00 2.40 H new ATOM 0 HE2 PHE A 688 10.903 -12.457 0.637 1.00 2.00 H new ATOM 0 HZ PHE A 688 8.611 -13.239 0.203 1.00 2.48 H new ATOM 190 N ALA A 689 11.076 -5.386 -0.538 1.00 0.73 N ATOM 191 CA ALA A 689 11.647 -4.066 -0.749 1.00 0.85 C ATOM 192 C ALA A 689 13.115 -4.144 -1.094 1.00 0.81 C ATOM 193 O ALA A 689 13.836 -5.020 -0.613 1.00 0.80 O ATOM 194 CB ALA A 689 11.467 -3.221 0.505 1.00 1.07 C ATOM 0 H ALA A 689 11.206 -5.740 0.410 1.00 0.73 H new ATOM 0 HA ALA A 689 11.124 -3.607 -1.588 1.00 0.85 H new ATOM 0 HB1 ALA A 689 11.896 -2.232 0.342 1.00 1.07 H new ATOM 0 HB2 ALA A 689 10.405 -3.123 0.728 1.00 1.07 H new ATOM 0 HB3 ALA A 689 11.971 -3.702 1.343 1.00 1.07 H new ATOM 200 N ARG A 690 13.554 -3.228 -1.935 1.00 0.87 N ATOM 201 CA ARG A 690 14.974 -3.069 -2.167 1.00 0.87 C ATOM 202 C ARG A 690 15.472 -1.846 -1.424 1.00 0.85 C ATOM 203 O ARG A 690 15.557 -0.733 -1.941 1.00 0.97 O ATOM 204 CB ARG A 690 15.309 -3.000 -3.658 1.00 1.06 C ATOM 205 CG ARG A 690 15.596 -4.367 -4.259 1.00 1.22 C ATOM 206 CD ARG A 690 14.381 -5.285 -4.199 1.00 1.47 C ATOM 207 NE ARG A 690 13.698 -5.361 -5.488 1.00 2.19 N ATOM 208 CZ ARG A 690 12.718 -6.216 -5.771 1.00 2.74 C ATOM 209 NH1 ARG A 690 12.299 -7.090 -4.861 1.00 2.85 N ATOM 210 NH2 ARG A 690 12.179 -6.217 -6.983 1.00 3.57 N ATOM 0 H ARG A 690 12.957 -2.591 -2.462 1.00 0.87 H new ATOM 0 HA ARG A 690 15.488 -3.950 -1.783 1.00 0.87 H new ATOM 0 HB2 ARG A 690 14.477 -2.540 -4.192 1.00 1.06 H new ATOM 0 HB3 ARG A 690 16.176 -2.355 -3.802 1.00 1.06 H new ATOM 0 HG2 ARG A 690 15.909 -4.248 -5.296 1.00 1.22 H new ATOM 0 HG3 ARG A 690 16.427 -4.830 -3.726 1.00 1.22 H new ATOM 0 HD2 ARG A 690 14.694 -6.283 -3.893 1.00 1.47 H new ATOM 0 HD3 ARG A 690 13.688 -4.922 -3.440 1.00 1.47 H new ATOM 0 HE ARG A 690 13.992 -4.715 -6.221 1.00 2.19 H new ATOM 0 HH11 ARG A 690 12.729 -7.109 -3.936 1.00 2.85 H new ATOM 0 HH12 ARG A 690 11.547 -7.741 -5.087 1.00 2.85 H new ATOM 0 HH21 ARG A 690 12.516 -5.565 -7.692 1.00 3.57 H new ATOM 0 HH22 ARG A 690 11.428 -6.870 -7.206 1.00 3.57 H new ATOM 224 N GLU A 691 15.779 -2.132 -0.189 1.00 0.74 N ATOM 225 CA GLU A 691 16.405 -1.245 0.763 1.00 0.73 C ATOM 226 C GLU A 691 17.879 -1.615 0.850 1.00 0.72 C ATOM 227 O GLU A 691 18.328 -2.472 0.085 1.00 0.76 O ATOM 228 CB GLU A 691 15.723 -1.336 2.139 1.00 0.70 C ATOM 229 CG GLU A 691 14.668 -0.261 2.382 1.00 0.99 C ATOM 230 CD GLU A 691 14.455 0.037 3.861 1.00 1.45 C ATOM 231 OE1 GLU A 691 13.941 -0.851 4.587 1.00 1.87 O ATOM 232 OE2 GLU A 691 14.775 1.160 4.305 1.00 1.98 O ATOM 0 H GLU A 691 15.587 -3.051 0.209 1.00 0.74 H new ATOM 0 HA GLU A 691 16.302 -0.211 0.433 1.00 0.73 H new ATOM 0 HB2 GLU A 691 15.257 -2.316 2.238 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.484 -1.265 2.916 1.00 0.70 H new ATOM 0 HG2 GLU A 691 14.965 0.655 1.871 1.00 0.99 H new ATOM 0 HG3 GLU A 691 13.723 -0.580 1.941 1.00 0.99 H new ATOM 239 N PRO A 692 18.669 -0.914 1.684 1.00 0.77 N ATOM 240 CA PRO A 692 20.030 -1.328 2.115 1.00 0.85 C ATOM 241 C PRO A 692 20.197 -2.848 2.409 1.00 0.85 C ATOM 242 O PRO A 692 21.252 -3.281 2.873 1.00 1.01 O ATOM 243 CB PRO A 692 20.263 -0.521 3.402 1.00 0.96 C ATOM 244 CG PRO A 692 19.053 0.343 3.588 1.00 0.96 C ATOM 245 CD PRO A 692 18.344 0.391 2.266 1.00 0.88 C ATOM 0 HA PRO A 692 20.745 -1.140 1.314 1.00 0.85 H new ATOM 0 HB2 PRO A 692 20.401 -1.184 4.256 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.165 0.086 3.321 1.00 0.96 H new ATOM 0 HG2 PRO A 692 18.402 -0.066 4.361 1.00 0.96 H new ATOM 0 HG3 PRO A 692 19.339 1.344 3.909 1.00 0.96 H new ATOM 0 HD2 PRO A 692 17.269 0.525 2.387 1.00 0.88 H new ATOM 0 HD3 PRO A 692 18.700 1.213 1.644 1.00 0.88 H new ATOM 253 N HIS A 693 19.144 -3.624 2.143 1.00 0.76 N ATOM 254 CA HIS A 693 19.019 -5.039 2.463 1.00 0.84 C ATOM 255 C HIS A 693 18.690 -5.229 3.923 1.00 0.83 C ATOM 256 O HIS A 693 19.352 -5.953 4.666 1.00 1.01 O ATOM 257 CB HIS A 693 20.267 -5.845 2.062 1.00 1.08 C ATOM 258 CG HIS A 693 20.024 -7.326 1.990 1.00 1.45 C ATOM 259 ND1 HIS A 693 19.438 -7.939 0.899 1.00 1.93 N ATOM 260 CD2 HIS A 693 20.271 -8.314 2.882 1.00 2.20 C ATOM 261 CE1 HIS A 693 19.334 -9.234 1.129 1.00 2.48 C ATOM 262 NE2 HIS A 693 19.831 -9.488 2.322 1.00 2.61 N ATOM 0 H HIS A 693 18.315 -3.259 1.674 1.00 0.76 H new ATOM 0 HA HIS A 693 18.193 -5.431 1.870 1.00 0.84 H new ATOM 0 HB2 HIS A 693 20.620 -5.495 1.092 1.00 1.08 H new ATOM 0 HB3 HIS A 693 21.063 -5.650 2.781 1.00 1.08 H new ATOM 0 HD2 HIS A 693 20.729 -8.200 3.853 1.00 2.20 H new ATOM 0 HE1 HIS A 693 18.912 -9.963 0.453 1.00 2.48 H new ATOM 0 HE2 HIS A 693 19.881 -10.408 2.759 1.00 2.61 H new ATOM 271 N SER A 694 17.640 -4.529 4.305 1.00 0.71 N ATOM 272 CA SER A 694 16.903 -4.826 5.503 1.00 0.76 C ATOM 273 C SER A 694 15.947 -5.970 5.179 1.00 0.68 C ATOM 274 O SER A 694 15.987 -6.508 4.069 1.00 0.62 O ATOM 275 CB SER A 694 16.144 -3.582 5.948 1.00 0.82 C ATOM 276 OG SER A 694 15.838 -2.778 4.819 1.00 1.14 O ATOM 0 H SER A 694 17.276 -3.732 3.783 1.00 0.71 H new ATOM 0 HA SER A 694 17.564 -5.121 6.317 1.00 0.76 H new ATOM 0 HB2 SER A 694 15.226 -3.869 6.462 1.00 0.82 H new ATOM 0 HB3 SER A 694 16.743 -3.014 6.659 1.00 0.82 H new ATOM 0 HG SER A 694 15.100 -2.172 5.039 1.00 1.14 H new ATOM 282 N LYS A 695 15.117 -6.364 6.119 1.00 0.75 N ATOM 283 CA LYS A 695 14.158 -7.428 5.856 1.00 0.73 C ATOM 284 C LYS A 695 13.140 -6.979 4.800 1.00 0.59 C ATOM 285 O LYS A 695 12.886 -5.783 4.652 1.00 0.56 O ATOM 286 CB LYS A 695 13.435 -7.841 7.151 1.00 0.91 C ATOM 287 CG LYS A 695 12.479 -6.787 7.711 1.00 1.71 C ATOM 288 CD LYS A 695 13.215 -5.580 8.285 1.00 2.33 C ATOM 289 CE LYS A 695 13.997 -5.943 9.539 1.00 3.33 C ATOM 290 NZ LYS A 695 13.103 -6.224 10.694 1.00 4.08 N ATOM 0 H LYS A 695 15.081 -5.974 7.061 1.00 0.75 H new ATOM 0 HA LYS A 695 14.701 -8.292 5.474 1.00 0.73 H new ATOM 0 HB2 LYS A 695 12.875 -8.757 6.962 1.00 0.91 H new ATOM 0 HB3 LYS A 695 14.182 -8.075 7.910 1.00 0.91 H new ATOM 0 HG2 LYS A 695 11.805 -6.456 6.921 1.00 1.71 H new ATOM 0 HG3 LYS A 695 11.862 -7.237 8.489 1.00 1.71 H new ATOM 0 HD2 LYS A 695 13.896 -5.178 7.535 1.00 2.33 H new ATOM 0 HD3 LYS A 695 12.498 -4.793 8.518 1.00 2.33 H new ATOM 0 HE2 LYS A 695 14.616 -6.818 9.339 1.00 3.33 H new ATOM 0 HE3 LYS A 695 14.672 -5.126 9.794 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 13.672 -6.316 11.559 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 12.426 -5.443 10.807 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 12.585 -7.110 10.524 1.00 4.08 H new ATOM 304 N PRO A 696 12.558 -7.931 4.037 1.00 0.58 N ATOM 305 CA PRO A 696 11.494 -7.623 3.074 1.00 0.49 C ATOM 306 C PRO A 696 10.368 -6.875 3.768 1.00 0.45 C ATOM 307 O PRO A 696 10.038 -7.188 4.915 1.00 0.57 O ATOM 308 CB PRO A 696 11.025 -9.001 2.601 1.00 0.63 C ATOM 309 CG PRO A 696 12.192 -9.898 2.833 1.00 0.94 C ATOM 310 CD PRO A 696 12.886 -9.367 4.056 1.00 0.74 C ATOM 0 HA PRO A 696 11.824 -6.990 2.251 1.00 0.49 H new ATOM 0 HB2 PRO A 696 10.151 -9.335 3.160 1.00 0.63 H new ATOM 0 HB3 PRO A 696 10.742 -8.983 1.548 1.00 0.63 H new ATOM 0 HG2 PRO A 696 11.869 -10.928 2.984 1.00 0.94 H new ATOM 0 HG3 PRO A 696 12.862 -9.897 1.973 1.00 0.94 H new ATOM 0 HD2 PRO A 696 12.525 -9.850 4.964 1.00 0.74 H new ATOM 0 HD3 PRO A 696 13.962 -9.534 4.012 1.00 0.74 H new ATOM 318 N ILE A 697 9.750 -5.910 3.103 1.00 0.46 N ATOM 319 CA ILE A 697 8.967 -4.954 3.845 1.00 0.56 C ATOM 320 C ILE A 697 7.496 -5.286 3.880 1.00 0.51 C ATOM 321 O ILE A 697 6.788 -5.303 2.875 1.00 0.63 O ATOM 322 CB ILE A 697 9.195 -3.496 3.369 1.00 0.82 C ATOM 323 CG1 ILE A 697 10.455 -2.946 4.038 1.00 1.02 C ATOM 324 CG2 ILE A 697 7.989 -2.612 3.693 1.00 1.01 C ATOM 325 CD1 ILE A 697 10.357 -2.913 5.552 1.00 1.15 C ATOM 0 H ILE A 697 9.776 -5.776 2.092 1.00 0.46 H new ATOM 0 HA ILE A 697 9.332 -5.027 4.869 1.00 0.56 H new ATOM 0 HB ILE A 697 9.321 -3.493 2.286 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.310 -3.557 3.748 1.00 1.02 H new ATOM 0 HG13 ILE A 697 10.645 -1.938 3.670 1.00 1.02 H new ATOM 0 HG21 ILE A 697 8.179 -1.596 3.347 1.00 1.01 H new ATOM 0 HG22 ILE A 697 7.104 -3.006 3.193 1.00 1.01 H new ATOM 0 HG23 ILE A 697 7.823 -2.603 4.770 1.00 1.01 H new ATOM 0 HD11 ILE A 697 11.282 -2.513 5.968 1.00 1.15 H new ATOM 0 HD12 ILE A 697 9.522 -2.279 5.849 1.00 1.15 H new ATOM 0 HD13 ILE A 697 10.197 -3.923 5.928 1.00 1.15 H new ATOM 337 N LYS A 698 7.064 -5.563 5.085 1.00 0.56 N ATOM 338 CA LYS A 698 5.677 -5.561 5.419 1.00 0.65 C ATOM 339 C LYS A 698 5.439 -4.459 6.435 1.00 0.46 C ATOM 340 O LYS A 698 6.010 -4.465 7.522 1.00 0.52 O ATOM 341 CB LYS A 698 5.220 -6.939 5.926 1.00 1.04 C ATOM 342 CG LYS A 698 6.166 -7.648 6.894 1.00 1.91 C ATOM 343 CD LYS A 698 5.998 -7.167 8.326 1.00 2.12 C ATOM 344 CE LYS A 698 6.635 -8.123 9.320 1.00 2.62 C ATOM 345 NZ LYS A 698 8.107 -8.240 9.136 1.00 3.17 N ATOM 0 H LYS A 698 7.679 -5.798 5.864 1.00 0.56 H new ATOM 0 HA LYS A 698 5.076 -5.362 4.532 1.00 0.65 H new ATOM 0 HB2 LYS A 698 4.254 -6.821 6.416 1.00 1.04 H new ATOM 0 HB3 LYS A 698 5.063 -7.587 5.064 1.00 1.04 H new ATOM 0 HG2 LYS A 698 5.987 -8.722 6.851 1.00 1.91 H new ATOM 0 HG3 LYS A 698 7.196 -7.484 6.577 1.00 1.91 H new ATOM 0 HD2 LYS A 698 6.447 -6.179 8.433 1.00 2.12 H new ATOM 0 HD3 LYS A 698 4.937 -7.061 8.552 1.00 2.12 H new ATOM 0 HE2 LYS A 698 6.425 -7.781 10.333 1.00 2.62 H new ATOM 0 HE3 LYS A 698 6.180 -9.108 9.215 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 8.495 -8.890 9.849 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 8.310 -8.608 8.185 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 8.546 -7.304 9.246 1.00 3.17 H new ATOM 359 N PHE A 699 4.657 -3.472 6.060 1.00 0.41 N ATOM 360 CA PHE A 699 4.399 -2.372 6.955 1.00 0.33 C ATOM 361 C PHE A 699 2.918 -2.203 7.155 1.00 0.32 C ATOM 362 O PHE A 699 2.133 -2.313 6.208 1.00 0.33 O ATOM 363 CB PHE A 699 5.006 -1.075 6.426 1.00 0.41 C ATOM 364 CG PHE A 699 5.837 -0.364 7.453 1.00 0.77 C ATOM 365 CD1 PHE A 699 5.307 0.697 8.158 1.00 1.08 C ATOM 366 CD2 PHE A 699 7.138 -0.764 7.720 1.00 1.27 C ATOM 367 CE1 PHE A 699 6.055 1.355 9.117 1.00 1.58 C ATOM 368 CE2 PHE A 699 7.893 -0.111 8.674 1.00 1.76 C ATOM 369 CZ PHE A 699 7.351 0.951 9.374 1.00 1.84 C ATOM 0 H PHE A 699 4.195 -3.410 5.153 1.00 0.41 H new ATOM 0 HA PHE A 699 4.867 -2.600 7.912 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.623 -1.296 5.555 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.206 -0.414 6.091 1.00 0.41 H new ATOM 0 HD1 PHE A 699 4.295 1.018 7.958 1.00 1.08 H new ATOM 0 HD2 PHE A 699 7.565 -1.594 7.177 1.00 1.27 H new ATOM 0 HE1 PHE A 699 5.627 2.182 9.664 1.00 1.58 H new ATOM 0 HE2 PHE A 699 8.906 -0.429 8.873 1.00 1.76 H new ATOM 0 HZ PHE A 699 7.940 1.464 10.120 1.00 1.84 H new ATOM 379 N LEU A 700 2.538 -1.954 8.385 1.00 0.32 N ATOM 380 CA LEU A 700 1.162 -1.684 8.695 1.00 0.31 C ATOM 381 C LEU A 700 0.959 -0.183 8.652 1.00 0.28 C ATOM 382 O LEU A 700 1.419 0.548 9.532 1.00 0.34 O ATOM 383 CB LEU A 700 0.830 -2.263 10.080 1.00 0.38 C ATOM 384 CG LEU A 700 -0.634 -2.181 10.525 1.00 0.49 C ATOM 385 CD1 LEU A 700 -0.918 -3.239 11.578 1.00 0.98 C ATOM 386 CD2 LEU A 700 -0.959 -0.799 11.076 1.00 0.73 C ATOM 0 H LEU A 700 3.167 -1.934 9.187 1.00 0.32 H new ATOM 0 HA LEU A 700 0.493 -2.152 7.973 1.00 0.31 H new ATOM 0 HB2 LEU A 700 1.132 -3.310 10.093 1.00 0.38 H new ATOM 0 HB3 LEU A 700 1.441 -1.746 10.821 1.00 0.38 H new ATOM 0 HG LEU A 700 -1.266 -2.360 9.655 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -1.961 -3.173 11.888 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -0.725 -4.228 11.162 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -0.272 -3.076 12.441 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -2.004 -0.767 11.385 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -0.320 -0.590 11.934 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -0.786 -0.049 10.304 1.00 0.73 H new ATOM 398 N VAL A 701 0.297 0.285 7.616 1.00 0.25 N ATOM 399 CA VAL A 701 -0.002 1.690 7.517 1.00 0.27 C ATOM 400 C VAL A 701 -1.493 1.935 7.692 1.00 0.24 C ATOM 401 O VAL A 701 -2.317 1.244 7.093 1.00 0.28 O ATOM 402 CB VAL A 701 0.466 2.300 6.185 1.00 0.35 C ATOM 403 CG1 VAL A 701 1.986 2.364 6.141 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.082 1.508 5.008 1.00 0.41 C ATOM 0 H VAL A 701 -0.040 -0.283 6.839 1.00 0.25 H new ATOM 0 HA VAL A 701 0.549 2.182 8.319 1.00 0.27 H new ATOM 0 HB VAL A 701 0.078 3.316 6.112 1.00 0.35 H new ATOM 0 HG11 VAL A 701 2.305 2.798 5.193 1.00 0.36 H new ATOM 0 HG12 VAL A 701 2.348 2.982 6.963 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.395 1.358 6.236 1.00 0.36 H new ATOM 0 HG21 VAL A 701 0.261 1.957 4.076 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.271 0.478 5.066 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.172 1.520 5.037 1.00 0.41 H new ATOM 414 N SER A 702 -1.857 2.891 8.528 1.00 0.26 N ATOM 415 CA SER A 702 -3.252 3.245 8.640 1.00 0.27 C ATOM 416 C SER A 702 -3.502 4.523 7.858 1.00 0.28 C ATOM 417 O SER A 702 -3.097 5.614 8.263 1.00 0.34 O ATOM 418 CB SER A 702 -3.628 3.414 10.111 1.00 0.34 C ATOM 419 OG SER A 702 -5.012 3.674 10.276 1.00 1.39 O ATOM 0 H SER A 702 -1.221 3.422 9.123 1.00 0.26 H new ATOM 0 HA SER A 702 -3.875 2.453 8.225 1.00 0.27 H new ATOM 0 HB2 SER A 702 -3.360 2.511 10.660 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.051 4.232 10.542 1.00 0.34 H new ATOM 0 HG SER A 702 -5.215 3.775 11.230 1.00 1.39 H new ATOM 425 N VAL A 703 -4.141 4.358 6.713 1.00 0.28 N ATOM 426 CA VAL A 703 -4.496 5.457 5.836 1.00 0.34 C ATOM 427 C VAL A 703 -5.716 5.062 5.041 1.00 0.36 C ATOM 428 O VAL A 703 -6.129 3.913 5.085 1.00 0.40 O ATOM 429 CB VAL A 703 -3.376 5.826 4.839 1.00 0.42 C ATOM 430 CG1 VAL A 703 -3.019 7.300 4.962 1.00 0.77 C ATOM 431 CG2 VAL A 703 -2.147 4.946 5.016 1.00 0.56 C ATOM 0 H VAL A 703 -4.431 3.445 6.363 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.676 6.326 6.468 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.754 5.645 3.833 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -2.228 7.543 4.252 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -3.899 7.907 4.747 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -2.674 7.508 5.975 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.383 5.239 4.296 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -1.757 5.065 6.027 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -2.419 3.903 4.853 1.00 0.56 H new ATOM 441 N SER A 704 -6.283 5.995 4.313 1.00 0.44 N ATOM 442 CA SER A 704 -7.306 5.671 3.343 1.00 0.48 C ATOM 443 C SER A 704 -7.248 6.669 2.219 1.00 0.66 C ATOM 444 O SER A 704 -6.712 7.768 2.388 1.00 0.82 O ATOM 445 CB SER A 704 -8.694 5.677 3.986 1.00 0.49 C ATOM 446 OG SER A 704 -9.032 6.958 4.478 1.00 1.19 O ATOM 0 H SER A 704 -6.054 6.987 4.373 1.00 0.44 H new ATOM 0 HA SER A 704 -7.124 4.668 2.956 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.437 5.360 3.254 1.00 0.49 H new ATOM 0 HB3 SER A 704 -8.721 4.954 4.801 1.00 0.49 H new ATOM 0 HG SER A 704 -9.978 6.971 4.735 1.00 1.19 H new ATOM 452 N LYS A 705 -7.761 6.284 1.062 1.00 0.87 N ATOM 453 CA LYS A 705 -7.845 7.214 -0.032 1.00 1.08 C ATOM 454 C LYS A 705 -8.970 8.185 0.244 1.00 0.96 C ATOM 455 O LYS A 705 -10.125 7.973 -0.134 1.00 1.22 O ATOM 456 CB LYS A 705 -8.030 6.469 -1.361 1.00 1.57 C ATOM 457 CG LYS A 705 -9.146 5.423 -1.344 1.00 2.47 C ATOM 458 CD LYS A 705 -8.689 4.094 -1.936 1.00 3.17 C ATOM 459 CE LYS A 705 -8.315 4.231 -3.400 1.00 3.91 C ATOM 460 NZ LYS A 705 -7.680 2.998 -3.938 1.00 4.66 N ATOM 0 H LYS A 705 -8.118 5.349 0.866 1.00 0.87 H new ATOM 0 HA LYS A 705 -6.916 7.778 -0.121 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -8.241 7.196 -2.146 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -7.092 5.979 -1.624 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -9.482 5.267 -0.319 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -10.002 5.796 -1.907 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -7.832 3.721 -1.375 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -9.484 3.356 -1.831 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -9.208 4.460 -3.981 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -7.632 5.072 -3.521 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -7.427 3.145 -4.936 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -6.822 2.782 -3.391 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -8.347 2.203 -3.864 1.00 4.66 H new ATOM 474 N GLU A 706 -8.599 9.240 0.947 1.00 0.96 N ATOM 475 CA GLU A 706 -9.467 10.357 1.205 1.00 1.16 C ATOM 476 C GLU A 706 -9.832 11.046 -0.091 1.00 1.49 C ATOM 477 O GLU A 706 -9.385 10.651 -1.174 1.00 1.84 O ATOM 478 CB GLU A 706 -8.780 11.336 2.154 1.00 1.55 C ATOM 479 CG GLU A 706 -9.410 11.378 3.532 1.00 1.85 C ATOM 480 CD GLU A 706 -10.707 12.163 3.553 1.00 2.27 C ATOM 481 OE1 GLU A 706 -10.832 13.076 4.393 1.00 2.69 O ATOM 482 OE2 GLU A 706 -11.586 11.898 2.711 1.00 2.79 O ATOM 0 H GLU A 706 -7.671 9.339 1.358 1.00 0.96 H new ATOM 0 HA GLU A 706 -10.383 9.996 1.673 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -7.730 11.061 2.251 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -8.809 12.335 1.718 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -9.599 10.360 3.873 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -8.707 11.824 4.236 1.00 1.85 H new ATOM 489 N ASN A 707 -10.638 12.076 0.030 1.00 1.81 N ATOM 490 CA ASN A 707 -11.099 12.838 -1.116 1.00 2.13 C ATOM 491 C ASN A 707 -9.957 13.479 -1.909 1.00 1.71 C ATOM 492 O ASN A 707 -10.218 14.191 -2.875 1.00 1.87 O ATOM 493 CB ASN A 707 -12.094 13.921 -0.677 1.00 2.79 C ATOM 494 CG ASN A 707 -11.572 14.812 0.440 1.00 3.37 C ATOM 495 OD1 ASN A 707 -10.369 15.034 0.580 1.00 3.87 O ATOM 496 ND2 ASN A 707 -12.481 15.327 1.250 1.00 3.89 N ATOM 0 H ASN A 707 -10.995 12.412 0.925 1.00 1.81 H new ATOM 0 HA ASN A 707 -11.592 12.126 -1.778 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -12.346 14.541 -1.537 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -13.017 13.443 -0.348 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -12.194 15.930 2.021 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -13.469 15.121 1.104 1.00 3.89 H new ATOM 503 N SER A 708 -8.695 13.243 -1.528 1.00 1.30 N ATOM 504 CA SER A 708 -7.607 13.859 -2.265 1.00 1.07 C ATOM 505 C SER A 708 -6.928 12.871 -3.205 1.00 0.94 C ATOM 506 O SER A 708 -6.952 13.049 -4.423 1.00 1.14 O ATOM 507 CB SER A 708 -6.555 14.361 -1.273 1.00 1.20 C ATOM 508 OG SER A 708 -7.165 15.058 -0.200 1.00 1.82 O ATOM 0 H SER A 708 -8.418 12.653 -0.744 1.00 1.30 H new ATOM 0 HA SER A 708 -8.026 14.674 -2.855 1.00 1.07 H new ATOM 0 HB2 SER A 708 -5.983 13.518 -0.886 1.00 1.20 H new ATOM 0 HB3 SER A 708 -5.850 15.017 -1.784 1.00 1.20 H new ATOM 0 HG SER A 708 -6.475 15.368 0.423 1.00 1.82 H new ATOM 514 N THR A 709 -6.332 11.825 -2.653 1.00 0.79 N ATOM 515 CA THR A 709 -5.722 10.800 -3.476 1.00 0.73 C ATOM 516 C THR A 709 -5.887 9.401 -2.893 1.00 0.64 C ATOM 517 O THR A 709 -6.169 9.235 -1.707 1.00 0.67 O ATOM 518 CB THR A 709 -4.238 11.125 -3.761 1.00 0.81 C ATOM 519 OG1 THR A 709 -3.672 10.147 -4.642 1.00 0.90 O ATOM 520 CG2 THR A 709 -3.427 11.200 -2.476 1.00 0.85 C ATOM 0 H THR A 709 -6.259 11.667 -1.648 1.00 0.79 H new ATOM 0 HA THR A 709 -6.256 10.800 -4.426 1.00 0.73 H new ATOM 0 HB THR A 709 -4.201 12.103 -4.241 1.00 0.81 H new ATOM 0 HG1 THR A 709 -2.868 10.514 -5.065 1.00 0.90 H new ATOM 0 HG21 THR A 709 -2.389 11.430 -2.714 1.00 0.85 H new ATOM 0 HG22 THR A 709 -3.834 11.981 -1.834 1.00 0.85 H new ATOM 0 HG23 THR A 709 -3.477 10.242 -1.958 1.00 0.85 H new ATOM 528 N ALA A 710 -5.705 8.404 -3.748 1.00 0.68 N ATOM 529 CA ALA A 710 -5.514 7.029 -3.322 1.00 0.65 C ATOM 530 C ALA A 710 -4.090 6.827 -2.817 1.00 0.48 C ATOM 531 O ALA A 710 -3.803 5.911 -2.052 1.00 0.46 O ATOM 532 CB ALA A 710 -5.800 6.087 -4.474 1.00 0.86 C ATOM 0 H ALA A 710 -5.686 8.529 -4.760 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.206 6.812 -2.508 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -5.655 5.057 -4.147 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -6.830 6.220 -4.806 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -5.122 6.305 -5.299 1.00 0.86 H new ATOM 538 N SER A 711 -3.221 7.724 -3.257 1.00 0.49 N ATOM 539 CA SER A 711 -1.777 7.613 -3.089 1.00 0.51 C ATOM 540 C SER A 711 -1.370 7.648 -1.623 1.00 0.43 C ATOM 541 O SER A 711 -0.370 7.049 -1.254 1.00 0.43 O ATOM 542 CB SER A 711 -1.078 8.740 -3.862 1.00 0.70 C ATOM 543 OG SER A 711 0.332 8.576 -3.893 1.00 1.55 O ATOM 0 H SER A 711 -3.505 8.569 -3.752 1.00 0.49 H new ATOM 0 HA SER A 711 -1.467 6.647 -3.488 1.00 0.51 H new ATOM 0 HB2 SER A 711 -1.461 8.770 -4.882 1.00 0.70 H new ATOM 0 HB3 SER A 711 -1.320 9.698 -3.402 1.00 0.70 H new ATOM 0 HG SER A 711 0.741 9.133 -3.198 1.00 1.55 H new ATOM 549 N GLU A 712 -2.156 8.328 -0.791 1.00 0.43 N ATOM 550 CA GLU A 712 -1.787 8.565 0.600 1.00 0.46 C ATOM 551 C GLU A 712 -1.473 7.261 1.323 1.00 0.39 C ATOM 552 O GLU A 712 -0.624 7.225 2.219 1.00 0.42 O ATOM 553 CB GLU A 712 -2.918 9.287 1.344 1.00 0.56 C ATOM 554 CG GLU A 712 -3.268 10.676 0.813 1.00 0.67 C ATOM 555 CD GLU A 712 -4.033 11.485 1.837 1.00 1.19 C ATOM 556 OE1 GLU A 712 -3.423 11.939 2.826 1.00 1.54 O ATOM 557 OE2 GLU A 712 -5.247 11.699 1.642 1.00 1.78 O ATOM 0 H GLU A 712 -3.056 8.726 -1.059 1.00 0.43 H new ATOM 0 HA GLU A 712 -0.893 9.189 0.594 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.812 8.665 1.303 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -2.640 9.377 2.394 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -2.354 11.203 0.540 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -3.863 10.580 -0.095 1.00 0.67 H new ATOM 564 N VAL A 713 -2.153 6.190 0.944 1.00 0.34 N ATOM 565 CA VAL A 713 -1.891 4.906 1.547 1.00 0.33 C ATOM 566 C VAL A 713 -0.527 4.369 1.120 1.00 0.29 C ATOM 567 O VAL A 713 0.264 3.956 1.962 1.00 0.29 O ATOM 568 CB VAL A 713 -3.011 3.888 1.247 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.325 4.446 1.731 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.106 3.531 -0.230 1.00 0.40 C ATOM 0 H VAL A 713 -2.881 6.190 0.230 1.00 0.34 H new ATOM 0 HA VAL A 713 -1.874 5.053 2.627 1.00 0.33 H new ATOM 0 HB VAL A 713 -2.769 2.965 1.774 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.122 3.732 1.523 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.270 4.626 2.805 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.534 5.384 1.216 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -3.911 2.812 -0.379 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.312 4.431 -0.809 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.163 3.094 -0.560 1.00 0.40 H new ATOM 580 N LEU A 714 -0.246 4.423 -0.180 1.00 0.33 N ATOM 581 CA LEU A 714 1.022 3.945 -0.726 1.00 0.37 C ATOM 582 C LEU A 714 2.167 4.857 -0.277 1.00 0.34 C ATOM 583 O LEU A 714 3.296 4.402 -0.064 1.00 0.37 O ATOM 584 CB LEU A 714 0.938 3.830 -2.259 1.00 0.46 C ATOM 585 CG LEU A 714 1.334 5.071 -3.055 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.808 5.018 -3.410 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.482 5.189 -4.307 1.00 0.84 C ATOM 0 H LEU A 714 -0.886 4.797 -0.881 1.00 0.33 H new ATOM 0 HA LEU A 714 1.228 2.947 -0.339 1.00 0.37 H new ATOM 0 HB2 LEU A 714 1.575 3.004 -2.575 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.085 3.565 -2.526 1.00 0.46 H new ATOM 0 HG LEU A 714 1.161 5.954 -2.440 1.00 0.45 H new ATOM 0 HD11 LEU A 714 3.078 5.909 -3.978 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.401 4.976 -2.496 1.00 0.64 H new ATOM 0 HD13 LEU A 714 3.006 4.131 -4.012 1.00 0.64 H new ATOM 0 HD21 LEU A 714 0.776 6.078 -4.864 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.626 4.306 -4.930 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.568 5.267 -4.026 1.00 0.84 H new ATOM 599 N ASP A 715 1.862 6.153 -0.146 1.00 0.32 N ATOM 600 CA ASP A 715 2.813 7.134 0.366 1.00 0.34 C ATOM 601 C ASP A 715 3.315 6.695 1.723 1.00 0.32 C ATOM 602 O ASP A 715 4.486 6.868 2.057 1.00 0.36 O ATOM 603 CB ASP A 715 2.150 8.508 0.510 1.00 0.40 C ATOM 604 CG ASP A 715 2.260 9.376 -0.728 1.00 0.99 C ATOM 605 OD1 ASP A 715 1.493 9.147 -1.689 1.00 1.94 O ATOM 606 OD2 ASP A 715 3.135 10.261 -0.767 1.00 1.37 O ATOM 0 H ASP A 715 0.953 6.545 -0.392 1.00 0.32 H new ATOM 0 HA ASP A 715 3.641 7.207 -0.339 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.096 8.369 0.751 1.00 0.40 H new ATOM 0 HB3 ASP A 715 2.603 9.033 1.351 1.00 0.40 H new ATOM 611 N SER A 716 2.417 6.111 2.501 1.00 0.28 N ATOM 612 CA SER A 716 2.763 5.624 3.808 1.00 0.28 C ATOM 613 C SER A 716 3.790 4.487 3.745 1.00 0.30 C ATOM 614 O SER A 716 4.717 4.446 4.555 1.00 0.33 O ATOM 615 CB SER A 716 1.499 5.180 4.511 1.00 0.29 C ATOM 616 OG SER A 716 0.678 6.297 4.830 1.00 0.41 O ATOM 0 H SER A 716 1.442 5.967 2.240 1.00 0.28 H new ATOM 0 HA SER A 716 3.234 6.430 4.371 1.00 0.28 H new ATOM 0 HB2 SER A 716 0.948 4.488 3.874 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.755 4.640 5.422 1.00 0.29 H new ATOM 0 HG SER A 716 0.243 6.626 4.016 1.00 0.41 H new ATOM 622 N LEU A 717 3.638 3.572 2.789 1.00 0.32 N ATOM 623 CA LEU A 717 4.563 2.444 2.675 1.00 0.39 C ATOM 624 C LEU A 717 5.947 2.918 2.278 1.00 0.37 C ATOM 625 O LEU A 717 6.941 2.578 2.916 1.00 0.43 O ATOM 626 CB LEU A 717 4.105 1.412 1.641 1.00 0.52 C ATOM 627 CG LEU A 717 2.845 0.633 1.998 1.00 0.75 C ATOM 628 CD1 LEU A 717 2.818 0.356 3.486 1.00 1.42 C ATOM 629 CD2 LEU A 717 1.598 1.367 1.556 1.00 1.42 C ATOM 0 H LEU A 717 2.894 3.587 2.091 1.00 0.32 H new ATOM 0 HA LEU A 717 4.584 1.975 3.659 1.00 0.39 H new ATOM 0 HB2 LEU A 717 3.937 1.924 0.694 1.00 0.52 H new ATOM 0 HB3 LEU A 717 4.916 0.702 1.480 1.00 0.52 H new ATOM 0 HG LEU A 717 2.863 -0.317 1.465 1.00 0.75 H new ATOM 0 HD11 LEU A 717 1.915 -0.201 3.736 1.00 1.42 H new ATOM 0 HD12 LEU A 717 3.694 -0.230 3.763 1.00 1.42 H new ATOM 0 HD13 LEU A 717 2.825 1.299 4.032 1.00 1.42 H new ATOM 0 HD21 LEU A 717 0.718 0.784 1.826 1.00 1.42 H new ATOM 0 HD22 LEU A 717 1.554 2.339 2.048 1.00 1.42 H new ATOM 0 HD23 LEU A 717 1.622 1.508 0.475 1.00 1.42 H new ATOM 641 N SER A 718 5.998 3.689 1.205 1.00 0.33 N ATOM 642 CA SER A 718 7.256 4.152 0.648 1.00 0.38 C ATOM 643 C SER A 718 8.115 4.896 1.671 1.00 0.30 C ATOM 644 O SER A 718 9.313 4.639 1.783 1.00 0.31 O ATOM 645 CB SER A 718 6.974 5.038 -0.551 1.00 0.50 C ATOM 646 OG SER A 718 5.913 5.935 -0.271 1.00 1.52 O ATOM 0 H SER A 718 5.173 4.010 0.698 1.00 0.33 H new ATOM 0 HA SER A 718 7.828 3.276 0.342 1.00 0.38 H new ATOM 0 HB2 SER A 718 7.871 5.598 -0.815 1.00 0.50 H new ATOM 0 HB3 SER A 718 6.718 4.422 -1.413 1.00 0.50 H new ATOM 0 HG SER A 718 5.731 5.937 0.692 1.00 1.52 H new ATOM 652 N GLN A 719 7.507 5.801 2.426 1.00 0.29 N ATOM 653 CA GLN A 719 8.251 6.598 3.395 1.00 0.31 C ATOM 654 C GLN A 719 8.764 5.718 4.532 1.00 0.35 C ATOM 655 O GLN A 719 9.828 5.971 5.099 1.00 0.41 O ATOM 656 CB GLN A 719 7.382 7.732 3.933 1.00 0.37 C ATOM 657 CG GLN A 719 6.269 7.249 4.833 1.00 0.39 C ATOM 658 CD GLN A 719 5.387 8.369 5.350 1.00 0.48 C ATOM 659 OE1 GLN A 719 4.398 8.738 4.721 1.00 1.10 O ATOM 660 NE2 GLN A 719 5.733 8.910 6.506 1.00 1.35 N ATOM 0 H GLN A 719 6.508 6.002 2.388 1.00 0.29 H new ATOM 0 HA GLN A 719 9.113 7.039 2.893 1.00 0.31 H new ATOM 0 HB2 GLN A 719 8.009 8.432 4.485 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.952 8.281 3.095 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.654 6.534 4.287 1.00 0.39 H new ATOM 0 HG3 GLN A 719 6.701 6.716 5.680 1.00 0.39 H new ATOM 0 HE21 GLN A 719 6.562 8.576 6.998 1.00 1.35 H new ATOM 0 HE22 GLN A 719 5.171 9.662 6.906 1.00 1.35 H new ATOM 669 N SER A 720 8.003 4.681 4.848 1.00 0.35 N ATOM 670 CA SER A 720 8.430 3.666 5.798 1.00 0.45 C ATOM 671 C SER A 720 9.700 2.972 5.312 1.00 0.49 C ATOM 672 O SER A 720 10.534 2.532 6.103 1.00 0.60 O ATOM 673 CB SER A 720 7.309 2.652 5.954 1.00 0.50 C ATOM 674 OG SER A 720 6.151 3.257 6.504 1.00 0.51 O ATOM 0 H SER A 720 7.076 4.520 4.455 1.00 0.35 H new ATOM 0 HA SER A 720 8.650 4.134 6.757 1.00 0.45 H new ATOM 0 HB2 SER A 720 7.070 2.216 4.984 1.00 0.50 H new ATOM 0 HB3 SER A 720 7.638 1.836 6.598 1.00 0.50 H new ATOM 0 HG SER A 720 5.588 3.604 5.781 1.00 0.51 H new ATOM 680 N VAL A 721 9.826 2.900 4.000 1.00 0.45 N ATOM 681 CA VAL A 721 10.952 2.261 3.343 1.00 0.54 C ATOM 682 C VAL A 721 12.049 3.291 3.023 1.00 0.53 C ATOM 683 O VAL A 721 13.131 2.958 2.542 1.00 0.67 O ATOM 684 CB VAL A 721 10.441 1.544 2.075 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.570 1.123 1.162 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.593 0.348 2.475 1.00 0.70 C ATOM 0 H VAL A 721 9.141 3.288 3.352 1.00 0.45 H new ATOM 0 HA VAL A 721 11.403 1.521 4.004 1.00 0.54 H new ATOM 0 HB VAL A 721 9.831 2.249 1.511 1.00 0.58 H new ATOM 0 HG11 VAL A 721 11.161 0.623 0.284 1.00 0.65 H new ATOM 0 HG12 VAL A 721 12.132 2.003 0.849 1.00 0.65 H new ATOM 0 HG13 VAL A 721 12.232 0.439 1.693 1.00 0.65 H new ATOM 0 HG21 VAL A 721 9.232 -0.158 1.580 1.00 0.70 H new ATOM 0 HG22 VAL A 721 10.194 -0.343 3.065 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.743 0.686 3.068 1.00 0.70 H new ATOM 696 N HIS A 722 11.763 4.548 3.355 1.00 0.44 N ATOM 697 CA HIS A 722 12.724 5.651 3.216 1.00 0.50 C ATOM 698 C HIS A 722 13.062 5.887 1.754 1.00 0.47 C ATOM 699 O HIS A 722 14.146 6.358 1.409 1.00 0.60 O ATOM 700 CB HIS A 722 14.017 5.352 3.992 1.00 0.69 C ATOM 701 CG HIS A 722 13.794 4.826 5.375 1.00 1.37 C ATOM 702 ND1 HIS A 722 13.969 3.497 5.710 1.00 2.03 N ATOM 703 CD2 HIS A 722 13.405 5.452 6.510 1.00 2.30 C ATOM 704 CE1 HIS A 722 13.695 3.332 6.989 1.00 2.74 C ATOM 705 NE2 HIS A 722 13.351 4.502 7.497 1.00 2.91 N ATOM 0 H HIS A 722 10.859 4.836 3.729 1.00 0.44 H new ATOM 0 HA HIS A 722 12.259 6.547 3.628 1.00 0.50 H new ATOM 0 HB2 HIS A 722 14.605 4.627 3.430 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.610 6.265 4.054 1.00 0.69 H new ATOM 0 HD1 HIS A 722 14.264 2.760 5.069 1.00 2.03 H new ATOM 0 HD2 HIS A 722 13.179 6.503 6.618 1.00 2.30 H new ATOM 0 HE1 HIS A 722 13.744 2.398 7.530 1.00 2.74 H new ATOM 714 N VAL A 723 12.097 5.580 0.918 1.00 0.36 N ATOM 715 CA VAL A 723 12.192 5.766 -0.510 1.00 0.39 C ATOM 716 C VAL A 723 10.987 6.558 -1.008 1.00 0.36 C ATOM 717 O VAL A 723 9.960 6.619 -0.335 1.00 0.34 O ATOM 718 CB VAL A 723 12.238 4.411 -1.232 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.902 3.687 -1.103 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.633 4.592 -2.684 1.00 0.62 C ATOM 0 H VAL A 723 11.206 5.186 1.219 1.00 0.36 H new ATOM 0 HA VAL A 723 13.110 6.313 -0.725 1.00 0.39 H new ATOM 0 HB VAL A 723 12.998 3.791 -0.757 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.956 2.730 -1.621 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.680 3.518 -0.049 1.00 0.41 H new ATOM 0 HG13 VAL A 723 10.114 4.296 -1.546 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.660 3.621 -3.178 1.00 0.62 H new ATOM 0 HG22 VAL A 723 11.905 5.232 -3.182 1.00 0.62 H new ATOM 0 HG23 VAL A 723 13.619 5.054 -2.738 1.00 0.62 H new ATOM 730 N LYS A 724 11.129 7.192 -2.159 1.00 0.45 N ATOM 731 CA LYS A 724 10.010 7.873 -2.794 1.00 0.52 C ATOM 732 C LYS A 724 8.865 6.893 -3.061 1.00 0.44 C ATOM 733 O LYS A 724 9.090 5.700 -3.275 1.00 0.37 O ATOM 734 CB LYS A 724 10.469 8.491 -4.113 1.00 0.67 C ATOM 735 CG LYS A 724 11.345 9.720 -3.947 1.00 1.41 C ATOM 736 CD LYS A 724 12.489 9.715 -4.944 1.00 1.48 C ATOM 737 CE LYS A 724 13.575 8.736 -4.524 1.00 0.91 C ATOM 738 NZ LYS A 724 14.307 9.211 -3.318 1.00 1.46 N ATOM 0 H LYS A 724 12.007 7.250 -2.674 1.00 0.45 H new ATOM 0 HA LYS A 724 9.653 8.655 -2.124 1.00 0.52 H new ATOM 0 HB2 LYS A 724 11.017 7.741 -4.683 1.00 0.67 H new ATOM 0 HB3 LYS A 724 9.592 8.760 -4.701 1.00 0.67 H new ATOM 0 HG2 LYS A 724 10.744 10.619 -4.083 1.00 1.41 H new ATOM 0 HG3 LYS A 724 11.743 9.752 -2.933 1.00 1.41 H new ATOM 0 HD2 LYS A 724 12.114 9.446 -5.931 1.00 1.48 H new ATOM 0 HD3 LYS A 724 12.910 10.717 -5.025 1.00 1.48 H new ATOM 0 HE2 LYS A 724 13.129 7.763 -4.319 1.00 0.91 H new ATOM 0 HE3 LYS A 724 14.278 8.598 -5.345 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 15.315 9.325 -3.546 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 13.916 10.125 -3.012 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 14.202 8.516 -2.552 1.00 1.46 H new ATOM 752 N PRO A 725 7.617 7.417 -3.023 1.00 0.52 N ATOM 753 CA PRO A 725 6.360 6.647 -3.138 1.00 0.54 C ATOM 754 C PRO A 725 6.367 5.537 -4.184 1.00 0.49 C ATOM 755 O PRO A 725 5.668 4.536 -4.037 1.00 0.54 O ATOM 756 CB PRO A 725 5.345 7.721 -3.515 1.00 0.68 C ATOM 757 CG PRO A 725 5.827 8.933 -2.810 1.00 0.83 C ATOM 758 CD PRO A 725 7.333 8.856 -2.834 1.00 0.67 C ATOM 0 HA PRO A 725 6.155 6.109 -2.212 1.00 0.54 H new ATOM 0 HB2 PRO A 725 5.308 7.875 -4.594 1.00 0.68 H new ATOM 0 HB3 PRO A 725 4.339 7.448 -3.197 1.00 0.68 H new ATOM 0 HG2 PRO A 725 5.475 9.838 -3.305 1.00 0.83 H new ATOM 0 HG3 PRO A 725 5.454 8.963 -1.786 1.00 0.83 H new ATOM 0 HD2 PRO A 725 7.750 9.454 -3.644 1.00 0.67 H new ATOM 0 HD3 PRO A 725 7.766 9.229 -1.906 1.00 0.67 H new ATOM 766 N GLU A 726 7.185 5.710 -5.205 1.00 0.44 N ATOM 767 CA GLU A 726 7.146 4.899 -6.412 1.00 0.48 C ATOM 768 C GLU A 726 7.382 3.413 -6.172 1.00 0.51 C ATOM 769 O GLU A 726 7.167 2.597 -7.071 1.00 0.62 O ATOM 770 CB GLU A 726 8.224 5.371 -7.376 1.00 0.45 C ATOM 771 CG GLU A 726 8.635 6.824 -7.215 1.00 0.67 C ATOM 772 CD GLU A 726 7.485 7.799 -7.379 1.00 1.53 C ATOM 773 OE1 GLU A 726 7.124 8.478 -6.396 1.00 2.38 O ATOM 774 OE2 GLU A 726 6.920 7.871 -8.488 1.00 1.89 O ATOM 0 H GLU A 726 7.908 6.429 -5.221 1.00 0.44 H new ATOM 0 HA GLU A 726 6.139 5.021 -6.812 1.00 0.48 H new ATOM 0 HB2 GLU A 726 9.106 4.743 -7.248 1.00 0.45 H new ATOM 0 HB3 GLU A 726 7.870 5.220 -8.396 1.00 0.45 H new ATOM 0 HG2 GLU A 726 9.079 6.961 -6.229 1.00 0.67 H new ATOM 0 HG3 GLU A 726 9.407 7.058 -7.948 1.00 0.67 H new ATOM 781 N ASN A 727 7.806 3.050 -4.984 1.00 0.45 N ATOM 782 CA ASN A 727 8.279 1.693 -4.760 1.00 0.48 C ATOM 783 C ASN A 727 7.174 0.682 -4.487 1.00 0.48 C ATOM 784 O ASN A 727 7.391 -0.514 -4.688 1.00 0.52 O ATOM 785 CB ASN A 727 9.267 1.668 -3.613 1.00 0.51 C ATOM 786 CG ASN A 727 10.659 2.061 -4.058 1.00 1.11 C ATOM 787 OD1 ASN A 727 10.819 2.822 -5.004 1.00 1.74 O ATOM 788 ND2 ASN A 727 11.675 1.555 -3.372 1.00 1.84 N ATOM 0 H ASN A 727 7.836 3.659 -4.167 1.00 0.45 H new ATOM 0 HA ASN A 727 8.754 1.392 -5.694 1.00 0.48 H new ATOM 0 HB2 ASN A 727 8.931 2.347 -2.830 1.00 0.51 H new ATOM 0 HB3 ASN A 727 9.293 0.669 -3.178 1.00 0.51 H new ATOM 0 HD21 ASN A 727 12.633 1.797 -3.626 1.00 1.84 H new ATOM 0 HD22 ASN A 727 11.499 0.924 -2.590 1.00 1.84 H new ATOM 795 N LEU A 728 5.998 1.105 -4.052 1.00 0.48 N ATOM 796 CA LEU A 728 4.917 0.136 -3.922 1.00 0.47 C ATOM 797 C LEU A 728 3.600 0.688 -4.426 1.00 0.47 C ATOM 798 O LEU A 728 3.191 1.771 -4.033 1.00 0.63 O ATOM 799 CB LEU A 728 4.696 -0.282 -2.461 1.00 0.70 C ATOM 800 CG LEU A 728 5.908 -0.265 -1.539 1.00 1.26 C ATOM 801 CD1 LEU A 728 6.248 1.152 -1.100 1.00 1.83 C ATOM 802 CD2 LEU A 728 5.664 -1.142 -0.324 1.00 1.87 C ATOM 0 H LEU A 728 5.770 2.065 -3.793 1.00 0.48 H new ATOM 0 HA LEU A 728 5.225 -0.721 -4.521 1.00 0.47 H new ATOM 0 HB2 LEU A 728 3.938 0.374 -2.033 1.00 0.70 H new ATOM 0 HB3 LEU A 728 4.284 -1.291 -2.457 1.00 0.70 H new ATOM 0 HG LEU A 728 6.756 -0.661 -2.098 1.00 1.26 H new ATOM 0 HD11 LEU A 728 7.117 1.131 -0.443 1.00 1.83 H new ATOM 0 HD12 LEU A 728 6.470 1.761 -1.976 1.00 1.83 H new ATOM 0 HD13 LEU A 728 5.400 1.581 -0.566 1.00 1.83 H new ATOM 0 HD21 LEU A 728 6.540 -1.118 0.324 1.00 1.87 H new ATOM 0 HD22 LEU A 728 4.797 -0.772 0.224 1.00 1.87 H new ATOM 0 HD23 LEU A 728 5.479 -2.167 -0.646 1.00 1.87 H new ATOM 814 N ARG A 729 2.937 -0.056 -5.300 1.00 0.36 N ATOM 815 CA ARG A 729 1.505 0.096 -5.478 1.00 0.41 C ATOM 816 C ARG A 729 0.899 -1.231 -5.945 1.00 0.32 C ATOM 817 O ARG A 729 1.236 -1.739 -7.010 1.00 0.34 O ATOM 818 CB ARG A 729 1.194 1.254 -6.457 1.00 0.56 C ATOM 819 CG ARG A 729 1.389 0.954 -7.944 1.00 0.70 C ATOM 820 CD ARG A 729 2.765 0.376 -8.269 1.00 0.54 C ATOM 821 NE ARG A 729 2.918 0.136 -9.707 1.00 1.21 N ATOM 822 CZ ARG A 729 2.219 -0.773 -10.398 1.00 1.75 C ATOM 823 NH1 ARG A 729 1.353 -1.568 -9.780 1.00 2.18 N ATOM 824 NH2 ARG A 729 2.402 -0.901 -11.705 1.00 2.58 N ATOM 0 H ARG A 729 3.367 -0.766 -5.892 1.00 0.36 H new ATOM 0 HA ARG A 729 1.048 0.357 -4.524 1.00 0.41 H new ATOM 0 HB2 ARG A 729 0.160 1.564 -6.303 1.00 0.56 H new ATOM 0 HB3 ARG A 729 1.824 2.103 -6.194 1.00 0.56 H new ATOM 0 HG2 ARG A 729 0.622 0.252 -8.269 1.00 0.70 H new ATOM 0 HG3 ARG A 729 1.244 1.871 -8.515 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.540 1.063 -7.929 1.00 0.54 H new ATOM 0 HD3 ARG A 729 2.907 -0.558 -7.726 1.00 0.54 H new ATOM 0 HE ARG A 729 3.602 0.698 -10.214 1.00 1.21 H new ATOM 0 HH11 ARG A 729 1.217 -1.488 -8.772 1.00 2.18 H new ATOM 0 HH12 ARG A 729 0.824 -2.258 -10.313 1.00 2.18 H new ATOM 0 HH21 ARG A 729 3.077 -0.306 -12.186 1.00 2.58 H new ATOM 0 HH22 ARG A 729 1.868 -1.594 -12.229 1.00 2.58 H new ATOM 838 N LEU A 730 0.087 -1.851 -5.118 1.00 0.32 N ATOM 839 CA LEU A 730 -0.783 -2.920 -5.572 1.00 0.34 C ATOM 840 C LEU A 730 -1.978 -3.023 -4.676 1.00 0.42 C ATOM 841 O LEU A 730 -1.787 -3.313 -3.529 1.00 0.73 O ATOM 842 CB LEU A 730 -0.096 -4.269 -5.560 1.00 0.37 C ATOM 843 CG LEU A 730 -0.987 -5.391 -6.095 1.00 0.53 C ATOM 844 CD1 LEU A 730 -1.415 -5.106 -7.530 1.00 1.23 C ATOM 845 CD2 LEU A 730 -0.296 -6.732 -6.003 1.00 1.22 C ATOM 0 H LEU A 730 0.009 -1.635 -4.124 1.00 0.32 H new ATOM 0 HA LEU A 730 -1.067 -2.672 -6.595 1.00 0.34 H new ATOM 0 HB2 LEU A 730 0.812 -4.215 -6.160 1.00 0.37 H new ATOM 0 HB3 LEU A 730 0.209 -4.508 -4.541 1.00 0.37 H new ATOM 0 HG LEU A 730 -1.880 -5.430 -5.471 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -2.048 -5.918 -7.889 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.972 -4.169 -7.564 1.00 1.23 H new ATOM 0 HD13 LEU A 730 -0.532 -5.027 -8.164 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.955 -7.508 -6.391 1.00 1.22 H new ATOM 0 HD22 LEU A 730 0.622 -6.709 -6.590 1.00 1.22 H new ATOM 0 HD23 LEU A 730 -0.056 -6.947 -4.962 1.00 1.22 H new ATOM 857 N ALA A 731 -3.187 -2.907 -5.141 1.00 0.34 N ATOM 858 CA ALA A 731 -4.262 -3.185 -4.227 1.00 0.37 C ATOM 859 C ALA A 731 -4.756 -4.581 -4.451 1.00 0.37 C ATOM 860 O ALA A 731 -4.615 -5.133 -5.542 1.00 0.50 O ATOM 861 CB ALA A 731 -5.397 -2.180 -4.331 1.00 0.46 C ATOM 0 H ALA A 731 -3.449 -2.638 -6.090 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.871 -3.093 -3.214 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -6.180 -2.440 -3.618 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -5.020 -1.182 -4.108 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.806 -2.197 -5.341 1.00 0.46 H new ATOM 867 N GLU A 732 -5.198 -5.191 -3.378 1.00 0.39 N ATOM 868 CA GLU A 732 -6.067 -6.319 -3.463 1.00 0.46 C ATOM 869 C GLU A 732 -7.033 -6.259 -2.309 1.00 0.57 C ATOM 870 O GLU A 732 -6.641 -6.266 -1.150 1.00 0.66 O ATOM 871 CB GLU A 732 -5.252 -7.608 -3.453 1.00 0.66 C ATOM 872 CG GLU A 732 -4.695 -8.022 -2.100 1.00 0.76 C ATOM 873 CD GLU A 732 -4.083 -9.405 -2.133 1.00 0.78 C ATOM 874 OE1 GLU A 732 -2.860 -9.518 -2.348 1.00 1.02 O ATOM 875 OE2 GLU A 732 -4.832 -10.388 -1.959 1.00 1.19 O ATOM 0 H GLU A 732 -4.960 -4.913 -2.426 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.630 -6.303 -4.396 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -5.879 -8.416 -3.831 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -4.421 -7.497 -4.150 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -3.942 -7.301 -1.783 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -5.493 -7.997 -1.358 1.00 0.76 H new ATOM 882 N VAL A 733 -8.299 -6.200 -2.620 1.00 0.69 N ATOM 883 CA VAL A 733 -9.293 -6.120 -1.574 1.00 0.90 C ATOM 884 C VAL A 733 -9.693 -7.516 -1.143 1.00 1.17 C ATOM 885 O VAL A 733 -9.781 -8.408 -1.956 1.00 1.35 O ATOM 886 CB VAL A 733 -10.536 -5.300 -1.975 1.00 1.19 C ATOM 887 CG1 VAL A 733 -10.863 -4.325 -0.866 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.339 -4.557 -3.290 1.00 1.64 C ATOM 0 H VAL A 733 -8.667 -6.205 -3.571 1.00 0.69 H new ATOM 0 HA VAL A 733 -8.837 -5.588 -0.739 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.365 -5.992 -2.125 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -11.741 -3.741 -1.142 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -11.067 -4.874 0.053 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -10.017 -3.656 -0.709 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -11.242 -3.995 -3.529 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -9.498 -3.870 -3.197 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -10.137 -5.274 -4.086 1.00 1.64 H new ATOM 898 N ILE A 734 -9.895 -7.718 0.140 1.00 1.30 N ATOM 899 CA ILE A 734 -10.225 -9.039 0.642 1.00 1.65 C ATOM 900 C ILE A 734 -11.710 -9.038 0.996 1.00 1.93 C ATOM 901 O ILE A 734 -12.436 -8.241 0.418 1.00 2.17 O ATOM 902 CB ILE A 734 -9.313 -9.442 1.831 1.00 1.81 C ATOM 903 CG1 ILE A 734 -7.845 -9.166 1.467 1.00 1.91 C ATOM 904 CG2 ILE A 734 -9.485 -10.919 2.176 1.00 2.43 C ATOM 905 CD1 ILE A 734 -6.853 -9.598 2.526 1.00 2.42 C ATOM 0 H ILE A 734 -9.838 -6.991 0.853 1.00 1.30 H new ATOM 0 HA ILE A 734 -10.041 -9.798 -0.118 1.00 1.65 H new ATOM 0 HB ILE A 734 -9.598 -8.850 2.701 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -7.611 -9.679 0.534 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -7.722 -8.099 1.283 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -8.835 -11.175 3.012 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -10.522 -11.110 2.451 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -9.221 -11.528 1.311 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -5.841 -9.368 2.192 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -7.058 -9.066 3.455 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -6.945 -10.671 2.694 1.00 2.42 H new ATOM 917 N LYS A 735 -12.153 -9.802 1.993 1.00 2.29 N ATOM 918 CA LYS A 735 -13.534 -10.310 2.072 1.00 2.61 C ATOM 919 C LYS A 735 -14.358 -10.098 0.774 1.00 2.77 C ATOM 920 O LYS A 735 -13.832 -10.288 -0.329 1.00 2.76 O ATOM 921 CB LYS A 735 -14.224 -9.658 3.268 1.00 2.76 C ATOM 922 CG LYS A 735 -15.319 -10.511 3.883 1.00 3.27 C ATOM 923 CD LYS A 735 -15.482 -10.199 5.358 1.00 3.69 C ATOM 924 CE LYS A 735 -14.229 -10.580 6.130 1.00 3.70 C ATOM 925 NZ LYS A 735 -14.016 -12.051 6.136 1.00 4.16 N ATOM 0 H LYS A 735 -11.566 -10.091 2.776 1.00 2.29 H new ATOM 0 HA LYS A 735 -13.480 -11.391 2.199 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -13.477 -9.437 4.030 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -14.651 -8.705 2.954 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -16.260 -10.332 3.363 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -15.079 -11.566 3.755 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -15.687 -9.137 5.489 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -16.340 -10.741 5.757 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -13.364 -10.088 5.686 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -14.309 -10.219 7.155 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -13.317 -12.298 6.866 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -14.915 -12.531 6.341 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -13.666 -12.355 5.205 1.00 4.16 H new ATOM 939 N ASN A 736 -15.659 -9.841 0.895 1.00 3.04 N ATOM 940 CA ASN A 736 -16.580 -9.847 -0.258 1.00 3.32 C ATOM 941 C ASN A 736 -16.129 -8.906 -1.397 1.00 3.14 C ATOM 942 O ASN A 736 -16.637 -8.991 -2.516 1.00 3.36 O ATOM 943 CB ASN A 736 -17.990 -9.465 0.205 1.00 3.66 C ATOM 944 CG ASN A 736 -19.056 -9.744 -0.842 1.00 4.18 C ATOM 945 OD1 ASN A 736 -19.562 -10.864 -0.943 1.00 4.64 O ATOM 946 ND2 ASN A 736 -19.425 -8.731 -1.610 1.00 4.60 N ATOM 0 H ASN A 736 -16.109 -9.624 1.784 1.00 3.04 H new ATOM 0 HA ASN A 736 -16.575 -10.859 -0.664 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -18.229 -10.016 1.115 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -18.008 -8.405 0.460 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -20.151 -8.863 -2.314 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -18.984 -7.818 -1.497 1.00 4.60 H new ATOM 953 N ARG A 737 -15.178 -8.019 -1.113 1.00 2.79 N ATOM 954 CA ARG A 737 -14.624 -7.118 -2.131 1.00 2.61 C ATOM 955 C ARG A 737 -14.024 -7.924 -3.292 1.00 2.47 C ATOM 956 O ARG A 737 -14.112 -7.510 -4.449 1.00 3.05 O ATOM 957 CB ARG A 737 -13.525 -6.256 -1.517 1.00 2.49 C ATOM 958 CG ARG A 737 -13.838 -5.701 -0.135 1.00 2.59 C ATOM 959 CD ARG A 737 -14.427 -4.303 -0.187 1.00 3.00 C ATOM 960 NE ARG A 737 -14.245 -3.608 1.089 1.00 3.54 N ATOM 961 CZ ARG A 737 -15.238 -3.269 1.909 1.00 4.23 C ATOM 962 NH1 ARG A 737 -16.494 -3.560 1.598 1.00 4.51 N ATOM 963 NH2 ARG A 737 -14.971 -2.662 3.056 1.00 4.95 N ATOM 0 H ARG A 737 -14.772 -7.902 -0.185 1.00 2.79 H new ATOM 0 HA ARG A 737 -15.431 -6.487 -2.505 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -12.612 -6.848 -1.456 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -13.320 -5.422 -2.189 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -14.537 -6.367 0.370 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -12.926 -5.685 0.461 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -13.952 -3.734 -0.986 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -15.489 -4.361 -0.425 1.00 3.00 H new ATOM 0 HE ARG A 737 -13.294 -3.367 1.368 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -16.704 -4.046 0.726 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -17.250 -3.298 2.231 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -14.005 -2.455 3.311 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -15.731 -2.402 3.684 1.00 4.95 H new ATOM 977 N PHE A 738 -13.402 -9.059 -2.959 1.00 2.24 N ATOM 978 CA PHE A 738 -12.847 -9.998 -3.946 1.00 2.27 C ATOM 979 C PHE A 738 -11.690 -9.392 -4.751 1.00 2.12 C ATOM 980 O PHE A 738 -11.887 -8.847 -5.846 1.00 2.16 O ATOM 981 CB PHE A 738 -13.942 -10.511 -4.889 1.00 2.70 C ATOM 982 CG PHE A 738 -13.473 -11.607 -5.808 1.00 3.11 C ATOM 983 CD1 PHE A 738 -13.259 -11.361 -7.156 1.00 3.38 C ATOM 984 CD2 PHE A 738 -13.236 -12.881 -5.318 1.00 3.68 C ATOM 985 CE1 PHE A 738 -12.818 -12.366 -7.998 1.00 4.26 C ATOM 986 CE2 PHE A 738 -12.795 -13.890 -6.155 1.00 4.52 C ATOM 987 CZ PHE A 738 -12.586 -13.631 -7.497 1.00 4.83 C ATOM 0 H PHE A 738 -13.267 -9.356 -1.993 1.00 2.24 H new ATOM 0 HA PHE A 738 -12.441 -10.838 -3.382 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -14.780 -10.878 -4.296 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -14.315 -9.680 -5.487 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -13.439 -10.373 -7.553 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -13.397 -13.089 -4.271 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -12.655 -12.161 -9.046 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -12.614 -14.879 -5.761 1.00 4.52 H new ATOM 0 HZ PHE A 738 -12.242 -14.417 -8.152 1.00 4.83 H new ATOM 997 N HIS A 739 -10.492 -9.502 -4.171 1.00 2.05 N ATOM 998 CA HIS A 739 -9.220 -9.117 -4.800 1.00 2.04 C ATOM 999 C HIS A 739 -9.280 -7.720 -5.425 1.00 1.03 C ATOM 1000 O HIS A 739 -10.087 -6.895 -5.009 1.00 1.01 O ATOM 1001 CB HIS A 739 -8.815 -10.161 -5.844 1.00 2.97 C ATOM 1002 CG HIS A 739 -7.351 -10.492 -5.814 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -6.486 -10.212 -6.852 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -6.598 -11.087 -4.854 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -5.270 -10.619 -6.531 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -5.313 -11.151 -5.328 1.00 5.71 N ATOM 0 H HIS A 739 -10.374 -9.870 -3.227 1.00 2.05 H new ATOM 0 HA HIS A 739 -8.463 -9.080 -4.017 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -9.390 -11.072 -5.679 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -9.077 -9.794 -6.836 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -6.946 -11.443 -3.896 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -4.390 -10.530 -7.151 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -4.517 -11.548 -4.828 1.00 5.71 H new ATOM 1015 N ARG A 740 -8.358 -7.466 -6.365 1.00 0.94 N ATOM 1016 CA ARG A 740 -8.361 -6.286 -7.253 1.00 1.03 C ATOM 1017 C ARG A 740 -7.339 -5.222 -6.853 1.00 0.82 C ATOM 1018 O ARG A 740 -7.174 -4.895 -5.690 1.00 1.05 O ATOM 1019 CB ARG A 740 -9.752 -5.671 -7.435 1.00 2.21 C ATOM 1020 CG ARG A 740 -10.669 -6.506 -8.317 1.00 3.05 C ATOM 1021 CD ARG A 740 -12.062 -5.908 -8.391 1.00 4.00 C ATOM 1022 NE ARG A 740 -12.697 -5.851 -7.077 1.00 4.84 N ATOM 1023 CZ ARG A 740 -13.304 -4.770 -6.592 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -13.359 -3.654 -7.307 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -13.860 -4.808 -5.389 1.00 6.71 N ATOM 0 H ARG A 740 -7.568 -8.089 -6.536 1.00 0.94 H new ATOM 0 HA ARG A 740 -8.051 -6.675 -8.223 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -10.216 -5.545 -6.457 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -9.648 -4.677 -7.869 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -10.248 -6.575 -9.320 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -10.728 -7.521 -7.925 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -12.005 -4.904 -8.811 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -12.677 -6.502 -9.067 1.00 4.00 H new ATOM 0 HE ARG A 740 -12.674 -6.689 -6.496 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -12.935 -3.621 -8.234 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -13.826 -2.829 -6.930 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -13.822 -5.665 -4.837 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -14.325 -3.981 -5.016 1.00 6.71 H new ATOM 1039 N VAL A 741 -6.822 -4.607 -7.911 1.00 0.58 N ATOM 1040 CA VAL A 741 -5.561 -3.851 -8.005 1.00 0.46 C ATOM 1041 C VAL A 741 -5.695 -2.399 -7.569 1.00 0.43 C ATOM 1042 O VAL A 741 -6.792 -1.910 -7.355 1.00 0.46 O ATOM 1043 CB VAL A 741 -5.023 -3.874 -9.448 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -4.581 -5.277 -9.838 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -6.080 -3.357 -10.417 1.00 1.06 C ATOM 0 H VAL A 741 -7.310 -4.621 -8.806 1.00 0.58 H new ATOM 0 HA VAL A 741 -4.870 -4.346 -7.323 1.00 0.46 H new ATOM 0 HB VAL A 741 -4.154 -3.218 -9.500 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -4.205 -5.269 -10.861 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -3.792 -5.610 -9.164 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -5.429 -5.958 -9.769 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -5.685 -3.379 -11.433 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -6.967 -3.988 -10.359 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -6.345 -2.333 -10.154 1.00 1.06 H new ATOM 1055 N PHE A 742 -4.554 -1.728 -7.375 1.00 0.42 N ATOM 1056 CA PHE A 742 -4.544 -0.405 -6.782 1.00 0.42 C ATOM 1057 C PHE A 742 -5.172 0.591 -7.735 1.00 0.45 C ATOM 1058 O PHE A 742 -4.572 0.996 -8.732 1.00 0.55 O ATOM 1059 CB PHE A 742 -3.096 -0.005 -6.489 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.949 1.127 -5.527 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -2.634 0.855 -4.218 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -3.112 2.445 -5.922 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -2.479 1.875 -3.302 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -2.963 3.473 -5.015 1.00 0.75 C ATOM 1065 CZ PHE A 742 -2.645 3.189 -3.701 1.00 1.13 C ATOM 0 H PHE A 742 -3.632 -2.087 -7.623 1.00 0.42 H new ATOM 0 HA PHE A 742 -5.118 -0.412 -5.855 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -2.566 -0.872 -6.094 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -2.610 0.266 -7.426 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -2.506 -0.170 -3.902 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -3.358 2.669 -6.949 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -2.229 1.648 -2.276 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.095 4.497 -5.331 1.00 0.75 H new ATOM 0 HZ PHE A 742 -2.526 3.991 -2.987 1.00 1.13 H new ATOM 1075 N LEU A 743 -6.391 0.965 -7.406 1.00 0.48 N ATOM 1076 CA LEU A 743 -7.149 1.916 -8.181 1.00 0.61 C ATOM 1077 C LEU A 743 -6.999 3.338 -7.633 1.00 0.55 C ATOM 1078 O LEU A 743 -6.677 3.518 -6.450 1.00 0.48 O ATOM 1079 CB LEU A 743 -8.622 1.500 -8.204 1.00 0.78 C ATOM 1080 CG LEU A 743 -8.894 0.103 -8.771 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -10.369 -0.243 -8.647 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -8.448 0.020 -10.225 1.00 1.67 C ATOM 0 H LEU A 743 -6.885 0.613 -6.586 1.00 0.48 H new ATOM 0 HA LEU A 743 -6.758 1.919 -9.198 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -9.012 1.545 -7.187 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -9.180 2.229 -8.792 1.00 0.78 H new ATOM 0 HG LEU A 743 -8.319 -0.621 -8.193 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -10.545 -1.239 -9.055 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -10.660 -0.224 -7.597 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -10.961 0.485 -9.201 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -8.649 -0.979 -10.611 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -8.996 0.754 -10.816 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -7.380 0.226 -10.290 1.00 1.67 H new ATOM 1094 N PRO A 744 -7.233 4.355 -8.487 1.00 0.66 N ATOM 1095 CA PRO A 744 -7.322 5.777 -8.088 1.00 0.67 C ATOM 1096 C PRO A 744 -8.271 6.004 -6.901 1.00 0.62 C ATOM 1097 O PRO A 744 -8.964 5.073 -6.477 1.00 0.64 O ATOM 1098 CB PRO A 744 -7.859 6.465 -9.344 1.00 0.80 C ATOM 1099 CG PRO A 744 -7.402 5.603 -10.466 1.00 1.06 C ATOM 1100 CD PRO A 744 -7.423 4.194 -9.945 1.00 0.83 C ATOM 0 HA PRO A 744 -6.360 6.162 -7.751 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -8.946 6.542 -9.320 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -7.470 7.479 -9.438 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -8.058 5.709 -11.330 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -6.400 5.884 -10.790 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -8.366 3.697 -10.173 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -6.630 3.592 -10.388 1.00 0.83 H new ATOM 1108 N SER A 745 -8.240 7.215 -6.327 1.00 0.64 N ATOM 1109 CA SER A 745 -9.116 7.580 -5.201 1.00 0.67 C ATOM 1110 C SER A 745 -10.520 7.008 -5.402 1.00 0.73 C ATOM 1111 O SER A 745 -11.185 7.284 -6.399 1.00 0.78 O ATOM 1112 CB SER A 745 -9.178 9.107 -5.045 1.00 0.74 C ATOM 1113 OG SER A 745 -9.997 9.486 -3.947 1.00 1.20 O ATOM 0 H SER A 745 -7.614 7.963 -6.625 1.00 0.64 H new ATOM 0 HA SER A 745 -8.699 7.153 -4.289 1.00 0.67 H new ATOM 0 HB2 SER A 745 -8.171 9.500 -4.902 1.00 0.74 H new ATOM 0 HB3 SER A 745 -9.567 9.552 -5.961 1.00 0.74 H new ATOM 0 HG SER A 745 -9.433 9.821 -3.219 1.00 1.20 H new ATOM 1119 N HIS A 746 -10.951 6.190 -4.449 1.00 0.81 N ATOM 1120 CA HIS A 746 -12.142 5.371 -4.616 1.00 0.91 C ATOM 1121 C HIS A 746 -12.813 5.114 -3.273 1.00 0.96 C ATOM 1122 O HIS A 746 -12.250 5.404 -2.217 1.00 1.15 O ATOM 1123 CB HIS A 746 -11.761 4.040 -5.274 1.00 1.10 C ATOM 1124 CG HIS A 746 -12.076 3.975 -6.743 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -12.999 3.104 -7.274 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -11.574 4.668 -7.795 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -13.052 3.264 -8.584 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -12.197 4.207 -8.925 1.00 3.89 N ATOM 0 H HIS A 746 -10.488 6.077 -3.547 1.00 0.81 H new ATOM 0 HA HIS A 746 -12.847 5.904 -5.254 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -10.694 3.869 -5.133 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -12.284 3.231 -4.764 1.00 1.10 H new ATOM 0 HD2 HIS A 746 -10.821 5.441 -7.750 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -13.689 2.715 -9.262 1.00 3.88 H new ATOM 0 HE2 HIS A 746 -12.027 4.539 -9.874 1.00 3.89 H new ATOM 1137 N SER A 747 -14.000 4.526 -3.342 1.00 0.93 N ATOM 1138 CA SER A 747 -14.877 4.329 -2.190 1.00 1.06 C ATOM 1139 C SER A 747 -14.323 3.298 -1.199 1.00 1.39 C ATOM 1140 O SER A 747 -14.910 3.065 -0.140 1.00 1.67 O ATOM 1141 CB SER A 747 -16.254 3.894 -2.684 1.00 1.10 C ATOM 1142 OG SER A 747 -16.658 4.680 -3.793 1.00 1.34 O ATOM 0 H SER A 747 -14.389 4.166 -4.213 1.00 0.93 H new ATOM 0 HA SER A 747 -14.945 5.276 -1.654 1.00 1.06 H new ATOM 0 HB2 SER A 747 -16.229 2.842 -2.967 1.00 1.10 H new ATOM 0 HB3 SER A 747 -16.982 3.990 -1.879 1.00 1.10 H new ATOM 0 HG SER A 747 -17.542 4.386 -4.098 1.00 1.34 H new ATOM 1148 N LEU A 748 -13.210 2.667 -1.558 1.00 1.54 N ATOM 1149 CA LEU A 748 -12.594 1.625 -0.732 1.00 1.97 C ATOM 1150 C LEU A 748 -11.979 2.186 0.557 1.00 1.72 C ATOM 1151 O LEU A 748 -11.261 1.480 1.254 1.00 2.07 O ATOM 1152 CB LEU A 748 -11.508 0.870 -1.517 1.00 2.49 C ATOM 1153 CG LEU A 748 -11.998 -0.108 -2.590 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -13.056 -1.042 -2.025 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -12.522 0.632 -3.811 1.00 3.52 C ATOM 0 H LEU A 748 -12.708 2.859 -2.425 1.00 1.54 H new ATOM 0 HA LEU A 748 -13.397 0.940 -0.458 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -10.859 1.604 -1.995 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -10.894 0.317 -0.806 1.00 2.49 H new ATOM 0 HG LEU A 748 -11.147 -0.711 -2.908 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -13.390 -1.728 -2.804 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -12.634 -1.611 -1.197 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -13.904 -0.458 -1.668 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -12.862 -0.088 -4.555 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -13.354 1.273 -3.519 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -11.726 1.243 -4.236 1.00 3.52 H new ATOM 1167 N ASP A 749 -12.249 3.448 0.876 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.711 4.062 2.093 1.00 0.97 C ATOM 1169 C ASP A 749 -12.500 3.627 3.332 1.00 0.91 C ATOM 1170 O ASP A 749 -12.468 4.289 4.369 1.00 1.13 O ATOM 1171 CB ASP A 749 -11.721 5.590 1.988 1.00 0.85 C ATOM 1172 CG ASP A 749 -13.122 6.175 2.008 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -13.802 6.140 0.963 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -13.552 6.669 3.066 1.00 1.85 O ATOM 0 H ASP A 749 -12.834 4.066 0.314 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.681 3.721 2.198 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -11.146 6.010 2.813 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -11.221 5.889 1.067 1.00 0.85 H new ATOM 1179 N THR A 750 -13.176 2.496 3.233 1.00 1.03 N ATOM 1180 CA THR A 750 -14.005 1.991 4.313 1.00 1.16 C ATOM 1181 C THR A 750 -13.151 1.322 5.388 1.00 1.58 C ATOM 1182 O THR A 750 -12.044 0.843 5.112 1.00 2.13 O ATOM 1183 CB THR A 750 -15.035 0.989 3.765 1.00 1.60 C ATOM 1184 OG1 THR A 750 -14.431 0.208 2.726 1.00 2.42 O ATOM 1185 CG2 THR A 750 -16.261 1.706 3.220 1.00 2.13 C ATOM 0 H THR A 750 -13.166 1.903 2.403 1.00 1.03 H new ATOM 0 HA THR A 750 -14.528 2.834 4.763 1.00 1.16 H new ATOM 0 HB THR A 750 -15.355 0.341 4.581 1.00 1.60 H new ATOM 0 HG1 THR A 750 -14.581 0.643 1.861 1.00 2.42 H new ATOM 0 HG21 THR A 750 -16.972 0.973 2.839 1.00 2.13 H new ATOM 0 HG22 THR A 750 -16.728 2.285 4.017 1.00 2.13 H new ATOM 0 HG23 THR A 750 -15.962 2.375 2.413 1.00 2.13 H new ATOM 1193 N VAL A 751 -13.664 1.302 6.614 1.00 1.82 N ATOM 1194 CA VAL A 751 -12.911 0.799 7.754 1.00 2.44 C ATOM 1195 C VAL A 751 -12.865 -0.723 7.742 1.00 2.14 C ATOM 1196 O VAL A 751 -13.812 -1.396 8.160 1.00 2.27 O ATOM 1197 CB VAL A 751 -13.515 1.282 9.092 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -12.636 0.869 10.262 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -13.721 2.789 9.078 1.00 4.17 C ATOM 0 H VAL A 751 -14.602 1.630 6.842 1.00 1.82 H new ATOM 0 HA VAL A 751 -11.898 1.193 7.668 1.00 2.44 H new ATOM 0 HB VAL A 751 -14.488 0.807 9.215 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -13.081 1.220 11.193 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -12.551 -0.217 10.287 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -11.645 1.308 10.145 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -14.147 3.107 10.030 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -12.763 3.286 8.925 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -14.401 3.056 8.269 1.00 4.17 H new ATOM 1209 N SER A 752 -11.760 -1.256 7.251 1.00 2.23 N ATOM 1210 CA SER A 752 -11.554 -2.690 7.186 1.00 2.12 C ATOM 1211 C SER A 752 -10.060 -2.998 7.263 1.00 2.30 C ATOM 1212 O SER A 752 -9.292 -2.567 6.405 1.00 2.26 O ATOM 1213 CB SER A 752 -12.140 -3.251 5.884 1.00 2.47 C ATOM 1214 OG SER A 752 -13.517 -2.931 5.759 1.00 2.95 O ATOM 0 H SER A 752 -10.982 -0.707 6.887 1.00 2.23 H new ATOM 0 HA SER A 752 -12.061 -3.161 8.028 1.00 2.12 H new ATOM 0 HB2 SER A 752 -11.592 -2.848 5.032 1.00 2.47 H new ATOM 0 HB3 SER A 752 -12.012 -4.333 5.862 1.00 2.47 H new ATOM 0 HG SER A 752 -13.971 -3.632 5.246 1.00 2.95 H new ATOM 1220 N PRO A 753 -9.627 -3.728 8.304 1.00 2.99 N ATOM 1221 CA PRO A 753 -8.213 -4.090 8.493 1.00 3.72 C ATOM 1222 C PRO A 753 -7.721 -5.085 7.441 1.00 3.48 C ATOM 1223 O PRO A 753 -6.522 -5.239 7.219 1.00 3.96 O ATOM 1224 CB PRO A 753 -8.180 -4.732 9.889 1.00 4.69 C ATOM 1225 CG PRO A 753 -9.493 -4.392 10.519 1.00 4.49 C ATOM 1226 CD PRO A 753 -10.470 -4.244 9.391 1.00 3.44 C ATOM 0 HA PRO A 753 -7.561 -3.222 8.396 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -8.046 -5.812 9.821 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -7.350 -4.344 10.479 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -9.809 -5.175 11.208 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -9.421 -3.470 11.096 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -10.933 -5.195 9.128 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -11.277 -3.555 9.641 1.00 3.44 H new ATOM 1234 N SER A 754 -8.658 -5.779 6.818 1.00 2.99 N ATOM 1235 CA SER A 754 -8.327 -6.769 5.805 1.00 3.13 C ATOM 1236 C SER A 754 -8.546 -6.209 4.398 1.00 2.22 C ATOM 1237 O SER A 754 -8.470 -6.932 3.411 1.00 2.49 O ATOM 1238 CB SER A 754 -9.148 -8.040 6.030 1.00 3.71 C ATOM 1239 OG SER A 754 -8.758 -9.076 5.142 1.00 4.37 O ATOM 0 H SER A 754 -9.657 -5.675 6.996 1.00 2.99 H new ATOM 0 HA SER A 754 -7.270 -7.020 5.894 1.00 3.13 H new ATOM 0 HB2 SER A 754 -9.025 -8.376 7.059 1.00 3.71 H new ATOM 0 HB3 SER A 754 -10.206 -7.820 5.891 1.00 3.71 H new ATOM 0 HG SER A 754 -9.300 -9.874 5.312 1.00 4.37 H new ATOM 1245 N ASP A 755 -8.854 -4.927 4.327 1.00 1.48 N ATOM 1246 CA ASP A 755 -9.090 -4.247 3.059 1.00 0.96 C ATOM 1247 C ASP A 755 -7.771 -4.089 2.287 1.00 1.01 C ATOM 1248 O ASP A 755 -6.714 -4.406 2.828 1.00 1.88 O ATOM 1249 CB ASP A 755 -9.768 -2.904 3.298 1.00 1.69 C ATOM 1250 CG ASP A 755 -10.576 -2.425 2.109 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -10.086 -1.540 1.380 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -11.709 -2.916 1.921 1.00 2.95 O ATOM 0 H ASP A 755 -8.948 -4.325 5.145 1.00 1.48 H new ATOM 0 HA ASP A 755 -9.761 -4.851 2.448 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -10.423 -2.984 4.166 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -9.010 -2.159 3.538 1.00 1.69 H new ATOM 1257 N THR A 756 -7.848 -3.600 1.044 1.00 0.93 N ATOM 1258 CA THR A 756 -6.777 -3.739 0.037 1.00 0.99 C ATOM 1259 C THR A 756 -5.350 -3.790 0.594 1.00 0.78 C ATOM 1260 O THR A 756 -4.837 -2.831 1.169 1.00 0.89 O ATOM 1261 CB THR A 756 -6.820 -2.606 -1.010 1.00 1.43 C ATOM 1262 OG1 THR A 756 -6.430 -1.359 -0.418 1.00 1.93 O ATOM 1263 CG2 THR A 756 -8.204 -2.457 -1.593 1.00 2.05 C ATOM 0 H THR A 756 -8.662 -3.090 0.700 1.00 0.93 H new ATOM 0 HA THR A 756 -6.994 -4.709 -0.411 1.00 0.99 H new ATOM 0 HB THR A 756 -6.123 -2.870 -1.806 1.00 1.43 H new ATOM 0 HG1 THR A 756 -5.740 -1.520 0.259 1.00 1.93 H new ATOM 0 HG21 THR A 756 -8.205 -1.652 -2.328 1.00 2.05 H new ATOM 0 HG22 THR A 756 -8.498 -3.389 -2.076 1.00 2.05 H new ATOM 0 HG23 THR A 756 -8.911 -2.223 -0.797 1.00 2.05 H new ATOM 1271 N LEU A 757 -4.723 -4.933 0.384 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.323 -5.136 0.682 1.00 0.58 C ATOM 1273 C LEU A 757 -2.512 -4.807 -0.548 1.00 0.44 C ATOM 1274 O LEU A 757 -2.996 -4.975 -1.664 1.00 0.46 O ATOM 1275 CB LEU A 757 -3.127 -6.600 1.051 1.00 0.70 C ATOM 1276 CG LEU A 757 -2.058 -6.879 2.095 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -2.463 -8.045 2.965 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -0.737 -7.171 1.417 1.00 1.66 C ATOM 0 H LEU A 757 -5.182 -5.757 -0.004 1.00 0.68 H new ATOM 0 HA LEU A 757 -3.003 -4.498 1.506 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -4.076 -6.994 1.415 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -2.878 -7.154 0.146 1.00 0.70 H new ATOM 0 HG LEU A 757 -1.947 -5.997 2.726 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -1.687 -8.232 3.707 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -3.400 -7.813 3.471 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -2.594 -8.933 2.346 1.00 1.53 H new ATOM 0 HD21 LEU A 757 0.023 -7.370 2.172 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -0.844 -8.043 0.772 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -0.437 -6.311 0.818 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.289 -4.342 -0.368 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.431 -4.161 -1.500 1.00 0.40 C ATOM 1292 C LEU A 758 0.688 -5.122 -1.480 1.00 0.35 C ATOM 1293 O LEU A 758 1.212 -5.537 -0.419 1.00 0.40 O ATOM 1294 CB LEU A 758 0.088 -2.706 -1.703 1.00 0.54 C ATOM 1295 CG LEU A 758 1.282 -2.209 -0.871 1.00 0.60 C ATOM 1296 CD1 LEU A 758 2.568 -2.935 -1.229 1.00 1.19 C ATOM 1297 CD2 LEU A 758 1.488 -0.725 -1.098 1.00 1.13 C ATOM 0 H LEU A 758 -0.884 -4.091 0.534 1.00 0.39 H new ATOM 0 HA LEU A 758 -1.063 -4.361 -2.365 1.00 0.40 H new ATOM 0 HB2 LEU A 758 0.354 -2.597 -2.754 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -0.747 -2.031 -1.513 1.00 0.54 H new ATOM 0 HG LEU A 758 1.050 -2.410 0.175 1.00 0.60 H new ATOM 0 HD11 LEU A 758 3.385 -2.552 -0.617 1.00 1.19 H new ATOM 0 HD12 LEU A 758 2.447 -4.002 -1.045 1.00 1.19 H new ATOM 0 HD13 LEU A 758 2.797 -2.772 -2.282 1.00 1.19 H new ATOM 0 HD21 LEU A 758 2.335 -0.380 -0.505 1.00 1.13 H new ATOM 0 HD22 LEU A 758 1.686 -0.543 -2.154 1.00 1.13 H new ATOM 0 HD23 LEU A 758 0.591 -0.183 -0.798 1.00 1.13 H new ATOM 1309 N CYS A 759 0.996 -5.535 -2.674 1.00 0.35 N ATOM 1310 CA CYS A 759 2.235 -6.203 -2.902 1.00 0.36 C ATOM 1311 C CYS A 759 2.872 -5.649 -4.165 1.00 0.36 C ATOM 1312 O CYS A 759 2.535 -6.077 -5.264 1.00 0.40 O ATOM 1313 CB CYS A 759 2.009 -7.703 -3.043 1.00 0.46 C ATOM 1314 SG CYS A 759 1.040 -8.440 -1.707 1.00 1.55 S ATOM 0 H CYS A 759 0.407 -5.420 -3.499 1.00 0.35 H new ATOM 0 HA CYS A 759 2.899 -6.035 -2.054 1.00 0.36 H new ATOM 0 HB2 CYS A 759 1.505 -7.895 -3.990 1.00 0.46 H new ATOM 0 HB3 CYS A 759 2.977 -8.201 -3.091 1.00 0.46 H new ATOM 0 HG CYS A 759 0.970 -7.607 -0.711 1.00 1.55 H new ATOM 1320 N PHE A 760 3.804 -4.734 -4.029 1.00 0.36 N ATOM 1321 CA PHE A 760 4.615 -4.358 -5.156 1.00 0.41 C ATOM 1322 C PHE A 760 6.058 -4.294 -4.754 1.00 0.36 C ATOM 1323 O PHE A 760 6.381 -4.104 -3.577 1.00 0.50 O ATOM 1324 CB PHE A 760 4.156 -3.072 -5.820 1.00 0.68 C ATOM 1325 CG PHE A 760 4.102 -3.254 -7.303 1.00 1.79 C ATOM 1326 CD1 PHE A 760 3.311 -4.257 -7.837 1.00 2.53 C ATOM 1327 CD2 PHE A 760 4.849 -2.464 -8.156 1.00 2.16 C ATOM 1328 CE1 PHE A 760 3.263 -4.470 -9.200 1.00 3.60 C ATOM 1329 CE2 PHE A 760 4.805 -2.666 -9.523 1.00 3.23 C ATOM 1330 CZ PHE A 760 4.011 -3.673 -10.046 1.00 3.94 C ATOM 0 H PHE A 760 4.015 -4.244 -3.160 1.00 0.36 H new ATOM 0 HA PHE A 760 4.496 -5.133 -5.913 1.00 0.41 H new ATOM 0 HB2 PHE A 760 3.173 -2.790 -5.444 1.00 0.68 H new ATOM 0 HB3 PHE A 760 4.838 -2.260 -5.569 1.00 0.68 H new ATOM 0 HD1 PHE A 760 2.724 -4.881 -7.179 1.00 2.53 H new ATOM 0 HD2 PHE A 760 5.473 -1.681 -7.751 1.00 2.16 H new ATOM 0 HE1 PHE A 760 2.643 -5.257 -9.604 1.00 3.60 H new ATOM 0 HE2 PHE A 760 5.389 -2.040 -10.182 1.00 3.23 H new ATOM 0 HZ PHE A 760 3.976 -3.835 -11.113 1.00 3.94 H new ATOM 1340 N GLU A 761 6.930 -4.497 -5.707 1.00 0.35 N ATOM 1341 CA GLU A 761 8.319 -4.637 -5.376 1.00 0.40 C ATOM 1342 C GLU A 761 9.050 -3.335 -5.586 1.00 0.61 C ATOM 1343 O GLU A 761 9.192 -2.823 -6.699 1.00 0.79 O ATOM 1344 CB GLU A 761 8.957 -5.786 -6.150 1.00 0.52 C ATOM 1345 CG GLU A 761 8.638 -5.796 -7.634 1.00 1.26 C ATOM 1346 CD GLU A 761 9.296 -6.955 -8.343 1.00 1.49 C ATOM 1347 OE1 GLU A 761 10.261 -6.720 -9.095 1.00 1.96 O ATOM 1348 OE2 GLU A 761 8.875 -8.110 -8.126 1.00 1.88 O ATOM 0 H GLU A 761 6.707 -4.568 -6.700 1.00 0.35 H new ATOM 0 HA GLU A 761 8.397 -4.887 -4.318 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.039 -5.737 -6.024 1.00 0.52 H new ATOM 0 HB3 GLU A 761 8.628 -6.729 -5.714 1.00 0.52 H new ATOM 0 HG2 GLU A 761 7.558 -5.851 -7.773 1.00 1.26 H new ATOM 0 HG3 GLU A 761 8.970 -4.860 -8.083 1.00 1.26 H new ATOM 1355 N LEU A 762 9.491 -2.822 -4.468 1.00 0.89 N ATOM 1356 CA LEU A 762 10.207 -1.586 -4.377 1.00 1.28 C ATOM 1357 C LEU A 762 11.600 -1.691 -4.965 1.00 0.79 C ATOM 1358 O LEU A 762 12.502 -2.170 -4.287 1.00 0.89 O ATOM 1359 CB LEU A 762 10.356 -1.228 -2.890 1.00 2.07 C ATOM 1360 CG LEU A 762 9.076 -1.242 -2.043 1.00 3.10 C ATOM 1361 CD1 LEU A 762 8.639 -2.658 -1.689 1.00 3.72 C ATOM 1362 CD2 LEU A 762 9.290 -0.434 -0.782 1.00 3.94 C ATOM 0 H LEU A 762 9.354 -3.274 -3.564 1.00 0.89 H new ATOM 0 HA LEU A 762 9.651 -0.831 -4.933 1.00 1.28 H new ATOM 0 HB2 LEU A 762 11.067 -1.923 -2.443 1.00 2.07 H new ATOM 0 HB3 LEU A 762 10.797 -0.234 -2.823 1.00 2.07 H new ATOM 0 HG LEU A 762 8.279 -0.795 -2.638 1.00 3.10 H new ATOM 0 HD11 LEU A 762 7.730 -2.619 -1.089 1.00 3.72 H new ATOM 0 HD12 LEU A 762 8.447 -3.219 -2.604 1.00 3.72 H new ATOM 0 HD13 LEU A 762 9.428 -3.151 -1.120 1.00 3.72 H new ATOM 0 HD21 LEU A 762 8.379 -0.446 -0.183 1.00 3.94 H new ATOM 0 HD22 LEU A 762 10.108 -0.867 -0.207 1.00 3.94 H new ATOM 0 HD23 LEU A 762 9.537 0.594 -1.046 1.00 3.94 H new ATOM 1374 N LEU A 763 11.815 -1.255 -6.200 1.00 1.06 N ATOM 1375 CA LEU A 763 13.171 -1.020 -6.603 1.00 0.98 C ATOM 1376 C LEU A 763 13.391 0.477 -6.653 1.00 0.79 C ATOM 1377 O LEU A 763 12.950 1.154 -7.582 1.00 1.44 O ATOM 1378 CB LEU A 763 13.447 -1.657 -7.968 1.00 1.81 C ATOM 1379 CG LEU A 763 14.872 -1.477 -8.501 1.00 2.42 C ATOM 1380 CD1 LEU A 763 15.887 -2.059 -7.528 1.00 2.97 C ATOM 1381 CD2 LEU A 763 15.010 -2.122 -9.871 1.00 3.32 C ATOM 0 H LEU A 763 11.098 -1.068 -6.901 1.00 1.06 H new ATOM 0 HA LEU A 763 13.859 -1.474 -5.889 1.00 0.98 H new ATOM 0 HB2 LEU A 763 13.234 -2.724 -7.902 1.00 1.81 H new ATOM 0 HB3 LEU A 763 12.750 -1.237 -8.693 1.00 1.81 H new ATOM 0 HG LEU A 763 15.071 -0.410 -8.601 1.00 2.42 H new ATOM 0 HD11 LEU A 763 16.893 -1.921 -7.925 1.00 2.97 H new ATOM 0 HD12 LEU A 763 15.803 -1.551 -6.568 1.00 2.97 H new ATOM 0 HD13 LEU A 763 15.693 -3.123 -7.393 1.00 2.97 H new ATOM 0 HD21 LEU A 763 16.028 -1.986 -10.236 1.00 3.32 H new ATOM 0 HD22 LEU A 763 14.791 -3.187 -9.795 1.00 3.32 H new ATOM 0 HD23 LEU A 763 14.310 -1.656 -10.565 1.00 3.32 H new ATOM 1393 N SER A 764 14.066 0.963 -5.640 1.00 0.58 N ATOM 1394 CA SER A 764 14.662 2.269 -5.611 1.00 0.61 C ATOM 1395 C SER A 764 15.353 2.388 -4.267 1.00 0.71 C ATOM 1396 O SER A 764 14.716 2.121 -3.248 1.00 1.17 O ATOM 1397 CB SER A 764 13.616 3.368 -5.782 1.00 1.02 C ATOM 1398 OG SER A 764 14.194 4.664 -5.708 1.00 1.67 O ATOM 0 H SER A 764 14.219 0.435 -4.781 1.00 0.58 H new ATOM 0 HA SER A 764 15.365 2.390 -6.435 1.00 0.61 H new ATOM 0 HB2 SER A 764 13.116 3.247 -6.743 1.00 1.02 H new ATOM 0 HB3 SER A 764 12.853 3.266 -5.011 1.00 1.02 H new ATOM 0 HG SER A 764 13.495 5.341 -5.823 1.00 1.67 H new ATOM 1404 N SER A 765 16.611 2.753 -4.215 1.00 0.99 N ATOM 1405 CA SER A 765 17.255 2.859 -2.922 1.00 1.18 C ATOM 1406 C SER A 765 17.169 4.289 -2.404 1.00 1.13 C ATOM 1407 O SER A 765 17.851 5.172 -2.923 1.00 1.21 O ATOM 1408 CB SER A 765 18.718 2.410 -3.013 1.00 1.51 C ATOM 1409 OG SER A 765 19.337 2.379 -1.732 1.00 2.10 O ATOM 0 H SER A 765 17.195 2.976 -5.021 1.00 0.99 H new ATOM 0 HA SER A 765 16.737 2.204 -2.222 1.00 1.18 H new ATOM 0 HB2 SER A 765 18.768 1.420 -3.466 1.00 1.51 H new ATOM 0 HB3 SER A 765 19.267 3.088 -3.667 1.00 1.51 H new ATOM 0 HG SER A 765 19.575 3.290 -1.462 1.00 2.10 H new ATOM 1415 N GLU A 766 16.320 4.511 -1.385 1.00 1.43 N ATOM 1416 CA GLU A 766 16.302 5.774 -0.655 1.00 1.74 C ATOM 1417 C GLU A 766 15.907 6.938 -1.567 1.00 2.11 C ATOM 1418 O GLU A 766 16.796 7.716 -1.972 1.00 2.79 O ATOM 1419 CB GLU A 766 17.679 6.018 -0.032 1.00 2.48 C ATOM 1420 CG GLU A 766 18.182 4.844 0.791 1.00 3.22 C ATOM 1421 CD GLU A 766 19.671 4.909 1.041 1.00 4.06 C ATOM 1422 OE1 GLU A 766 20.077 5.311 2.150 1.00 4.70 O ATOM 1423 OE2 GLU A 766 20.446 4.551 0.124 1.00 4.47 O ATOM 1424 OXT GLU A 766 14.706 7.064 -1.888 1.00 2.51 O ATOM 0 H GLU A 766 15.640 3.826 -1.054 1.00 1.43 H new ATOM 0 HA GLU A 766 15.553 5.712 0.135 1.00 1.74 H new ATOM 0 HB2 GLU A 766 18.396 6.231 -0.825 1.00 2.48 H new ATOM 0 HB3 GLU A 766 17.632 6.904 0.602 1.00 2.48 H new ATOM 0 HG2 GLU A 766 17.657 4.822 1.746 1.00 3.22 H new ATOM 0 HG3 GLU A 766 17.944 3.914 0.275 1.00 3.22 H new