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 681 LYS NZ :NH3+ -114:sc= 0.24 (180deg=-0.0321) USER MOD Set 1.2: A 754 SER OG : rot -24:sc= 2.11 USER MOD Set 2.1: A 709 THR OG1 : rot -172:sc= 0.45 USER MOD Set 2.2: A 711 SER OG : rot 180:sc=0.000537 USER MOD Single : A 679 LYS NZ :NH3+ 134:sc= -1.17 (180deg=-3.16!) USER MOD Single : A 680 GLN : amide:sc= -0.421 X(o=-0.42,f=0) USER MOD Single : A 687 TYR OH : rot 180:sc= 0 USER MOD Single : A 693 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 694 SER OG : rot -168:sc= 1.2 USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 698 LYS NZ :NH3+ 164:sc= -0.0289 (180deg=-0.266) USER MOD Single : A 702 SER OG : rot 33:sc= 0.306 USER MOD Single : A 704 SER OG : rot 167:sc= -4.6! USER MOD Single : A 705 LYS NZ :NH3+ 156:sc= -0.069 (180deg=-0.464) USER MOD Single : A 707 ASN : amide:sc= -0.652 X(o=-0.65,f=-0.33) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot -150:sc= -0.378 USER MOD Single : A 718 SER OG : rot 90:sc= -0.569 USER MOD Single : A 719 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.12) USER MOD Single : A 720 SER OG : rot 92:sc= 1.22 USER MOD Single : A 722 HIS : no HE2:sc= 0.0962 K(o=0.096,f=-2!) USER MOD Single : A 724 LYS NZ :NH3+ 173:sc= 1.25 (180deg=0.825) USER MOD Single : A 727 ASN : amide:sc= -3.3! C(o=-3.3!,f=-5.9!) USER MOD Single : A 735 LYS NZ :NH3+ -138:sc= 0.748 (180deg=-1.34!) USER MOD Single : A 736 ASN : amide:sc= -0.758 K(o=-0.76,f=0) USER MOD Single : A 739 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 745 SER OG : rot 180:sc= 0 USER MOD Single : A 746 HIS : no HE2:sc= -0.2 K(o=-0.2,f=-3.2) USER MOD Single : A 747 SER OG : rot 180:sc= 0 USER MOD Single : A 750 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 SER OG : rot 180:sc= 0.00421 USER MOD Single : A 756 THR OG1 : rot -64:sc= -0.303! USER MOD Single : A 759 CYS SG : rot 180:sc= -3.18! USER MOD Single : A 764 SER OG : rot -5:sc= 1.04 USER MOD Single : A 765 SER OG : rot -47:sc= 0.475 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -10.189 8.691 7.686 1.00 0.86 N ATOM 2 CA LYS A 679 -8.715 8.590 7.629 1.00 0.72 C ATOM 3 C LYS A 679 -8.247 7.245 8.167 1.00 0.66 C ATOM 4 O LYS A 679 -7.140 6.788 7.864 1.00 1.02 O ATOM 5 CB LYS A 679 -8.078 9.733 8.430 1.00 0.92 C ATOM 6 CG LYS A 679 -6.565 9.627 8.589 1.00 0.97 C ATOM 7 CD LYS A 679 -5.863 9.479 7.249 1.00 1.12 C ATOM 8 CE LYS A 679 -4.349 9.464 7.412 1.00 1.43 C ATOM 9 NZ LYS A 679 -3.884 8.407 8.353 1.00 2.26 N ATOM 0 HA LYS A 679 -8.403 8.670 6.588 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -8.314 10.678 7.941 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -8.533 9.764 9.420 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -6.191 10.515 9.099 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -6.325 8.772 9.221 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -6.187 8.557 6.767 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -6.151 10.300 6.593 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -3.884 9.308 6.438 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -4.016 10.438 7.772 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -3.077 7.901 7.935 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -3.591 8.845 9.250 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -4.659 7.736 8.532 1.00 2.26 H new ATOM 25 N GLN A 680 -9.093 6.588 8.936 1.00 0.54 N ATOM 26 CA GLN A 680 -8.655 5.405 9.644 1.00 0.71 C ATOM 27 C GLN A 680 -9.081 4.135 8.935 1.00 0.50 C ATOM 28 O GLN A 680 -10.260 3.794 8.876 1.00 0.78 O ATOM 29 CB GLN A 680 -9.199 5.406 11.067 1.00 1.24 C ATOM 30 CG GLN A 680 -8.685 6.561 11.909 1.00 1.84 C ATOM 31 CD GLN A 680 -9.467 6.759 13.196 1.00 2.28 C ATOM 32 OE1 GLN A 680 -9.583 7.880 13.691 1.00 2.61 O ATOM 33 NE2 GLN A 680 -10.010 5.684 13.743 1.00 2.98 N ATOM 0 H GLN A 680 -10.068 6.847 9.084 1.00 0.54 H new ATOM 0 HA GLN A 680 -7.566 5.428 9.671 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -10.288 5.448 11.032 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -8.932 4.466 11.551 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -7.637 6.387 12.152 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -8.728 7.478 11.321 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -9.891 4.772 13.302 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -10.548 5.767 14.606 1.00 2.98 H new ATOM 42 N LYS A 681 -8.089 3.447 8.409 1.00 0.53 N ATOM 43 CA LYS A 681 -8.240 2.094 7.910 1.00 0.44 C ATOM 44 C LYS A 681 -6.886 1.396 7.972 1.00 0.37 C ATOM 45 O LYS A 681 -5.957 1.784 7.261 1.00 0.55 O ATOM 46 CB LYS A 681 -8.779 2.102 6.473 1.00 0.63 C ATOM 47 CG LYS A 681 -8.062 3.075 5.549 1.00 0.67 C ATOM 48 CD LYS A 681 -7.993 2.566 4.121 1.00 0.70 C ATOM 49 CE LYS A 681 -9.370 2.472 3.512 1.00 0.87 C ATOM 50 NZ LYS A 681 -9.313 2.238 2.051 1.00 1.44 N ATOM 0 H LYS A 681 -7.143 3.816 8.314 1.00 0.53 H new ATOM 0 HA LYS A 681 -8.958 1.555 8.528 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -8.697 1.097 6.060 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -9.840 2.352 6.495 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -8.577 4.036 5.566 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -7.052 3.248 5.920 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -7.372 3.233 3.523 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -7.516 1.586 4.103 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -9.923 1.662 3.988 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -9.919 3.393 3.711 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -9.696 3.066 1.552 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -8.326 2.085 1.762 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -9.878 1.398 1.812 1.00 1.44 H new ATOM 64 N VAL A 682 -6.741 0.403 8.840 1.00 0.33 N ATOM 65 CA VAL A 682 -5.458 -0.265 8.958 1.00 0.35 C ATOM 66 C VAL A 682 -5.383 -1.461 8.012 1.00 0.37 C ATOM 67 O VAL A 682 -5.966 -2.519 8.251 1.00 0.46 O ATOM 68 CB VAL A 682 -5.187 -0.712 10.417 1.00 0.49 C ATOM 69 CG1 VAL A 682 -5.001 0.495 11.319 1.00 1.36 C ATOM 70 CG2 VAL A 682 -6.310 -1.588 10.957 1.00 1.32 C ATOM 0 H VAL A 682 -7.475 0.052 9.455 1.00 0.33 H new ATOM 0 HA VAL A 682 -4.686 0.451 8.677 1.00 0.35 H new ATOM 0 HB VAL A 682 -4.271 -1.302 10.409 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -4.812 0.161 12.339 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -4.155 1.085 10.967 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -5.903 1.107 11.299 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -6.082 -1.880 11.982 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -7.247 -1.031 10.938 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -6.405 -2.480 10.338 1.00 1.32 H new ATOM 80 N LEU A 683 -4.676 -1.264 6.913 1.00 0.34 N ATOM 81 CA LEU A 683 -4.450 -2.320 5.943 1.00 0.39 C ATOM 82 C LEU A 683 -2.951 -2.645 5.861 1.00 0.38 C ATOM 83 O LEU A 683 -2.154 -1.801 5.429 1.00 0.38 O ATOM 84 CB LEU A 683 -5.031 -1.891 4.586 1.00 0.47 C ATOM 85 CG LEU A 683 -6.437 -1.275 4.658 1.00 0.82 C ATOM 86 CD1 LEU A 683 -6.817 -0.669 3.320 1.00 1.44 C ATOM 87 CD2 LEU A 683 -7.458 -2.323 5.071 1.00 1.55 C ATOM 0 H LEU A 683 -4.245 -0.372 6.669 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.958 -3.234 6.251 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -4.355 -1.169 4.128 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -5.062 -2.759 3.928 1.00 0.47 H new ATOM 0 HG LEU A 683 -6.429 -0.485 5.409 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -7.815 -0.237 3.387 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -6.101 0.110 3.057 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -6.808 -1.444 2.554 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -8.448 -1.869 5.117 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -7.464 -3.133 4.341 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -7.196 -2.720 6.052 1.00 1.55 H new ATOM 99 N PRO A 684 -2.512 -3.821 6.345 1.00 0.41 N ATOM 100 CA PRO A 684 -1.110 -4.221 6.208 1.00 0.40 C ATOM 101 C PRO A 684 -0.783 -4.818 4.835 1.00 0.38 C ATOM 102 O PRO A 684 -1.491 -5.698 4.341 1.00 0.43 O ATOM 103 CB PRO A 684 -0.955 -5.277 7.301 1.00 0.48 C ATOM 104 CG PRO A 684 -2.316 -5.876 7.467 1.00 0.65 C ATOM 105 CD PRO A 684 -3.318 -4.821 7.060 1.00 0.48 C ATOM 0 HA PRO A 684 -0.434 -3.371 6.299 1.00 0.40 H new ATOM 0 HB2 PRO A 684 -0.224 -6.034 7.016 1.00 0.48 H new ATOM 0 HB3 PRO A 684 -0.605 -4.831 8.232 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.423 -6.767 6.849 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -2.478 -6.183 8.500 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -4.097 -5.236 6.421 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.815 -4.387 7.928 1.00 0.48 H new ATOM 113 N VAL A 685 0.298 -4.337 4.230 1.00 0.34 N ATOM 114 CA VAL A 685 0.830 -4.920 2.989 1.00 0.33 C ATOM 115 C VAL A 685 2.181 -5.606 3.243 1.00 0.30 C ATOM 116 O VAL A 685 2.891 -5.201 4.159 1.00 0.33 O ATOM 117 CB VAL A 685 0.977 -3.854 1.884 1.00 0.39 C ATOM 118 CG1 VAL A 685 -0.191 -2.877 1.925 1.00 0.45 C ATOM 119 CG2 VAL A 685 2.307 -3.125 1.996 1.00 0.60 C ATOM 0 H VAL A 685 0.831 -3.539 4.577 1.00 0.34 H new ATOM 0 HA VAL A 685 0.115 -5.668 2.647 1.00 0.33 H new ATOM 0 HB VAL A 685 0.962 -4.361 0.919 1.00 0.39 H new ATOM 0 HG11 VAL A 685 -0.070 -2.132 1.138 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -1.124 -3.419 1.771 1.00 0.45 H new ATOM 0 HG13 VAL A 685 -0.216 -2.380 2.895 1.00 0.45 H new ATOM 0 HG21 VAL A 685 2.381 -2.380 1.204 1.00 0.60 H new ATOM 0 HG22 VAL A 685 2.371 -2.631 2.966 1.00 0.60 H new ATOM 0 HG23 VAL A 685 3.123 -3.841 1.899 1.00 0.60 H new ATOM 129 N PHE A 686 2.546 -6.644 2.475 1.00 0.33 N ATOM 130 CA PHE A 686 3.907 -7.203 2.599 1.00 0.37 C ATOM 131 C PHE A 686 4.574 -7.450 1.260 1.00 0.44 C ATOM 132 O PHE A 686 4.345 -8.475 0.629 1.00 0.70 O ATOM 133 CB PHE A 686 3.964 -8.496 3.419 1.00 0.62 C ATOM 134 CG PHE A 686 2.924 -9.531 3.088 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.629 -9.397 3.552 1.00 1.55 C ATOM 136 CD2 PHE A 686 3.252 -10.651 2.341 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.677 -10.358 3.274 1.00 2.32 C ATOM 138 CE2 PHE A 686 2.304 -11.611 2.054 1.00 2.43 C ATOM 139 CZ PHE A 686 1.014 -11.466 2.522 1.00 2.65 C ATOM 0 H PHE A 686 1.948 -7.101 1.787 1.00 0.33 H new ATOM 0 HA PHE A 686 4.456 -6.427 3.132 1.00 0.37 H new ATOM 0 HB2 PHE A 686 4.949 -8.944 3.287 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.870 -8.239 4.474 1.00 0.62 H new ATOM 0 HD1 PHE A 686 1.359 -8.531 4.138 1.00 1.55 H new ATOM 0 HD2 PHE A 686 4.262 -10.774 1.979 1.00 1.65 H new ATOM 0 HE1 PHE A 686 -0.331 -10.243 3.645 1.00 2.32 H new ATOM 0 HE2 PHE A 686 2.571 -12.475 1.464 1.00 2.43 H new ATOM 0 HZ PHE A 686 0.270 -12.217 2.301 1.00 2.65 H new ATOM 149 N TYR A 687 5.390 -6.519 0.825 1.00 0.46 N ATOM 150 CA TYR A 687 6.239 -6.735 -0.328 1.00 0.69 C ATOM 151 C TYR A 687 7.637 -6.197 -0.161 1.00 0.50 C ATOM 152 O TYR A 687 7.920 -5.370 0.704 1.00 0.64 O ATOM 153 CB TYR A 687 5.638 -6.400 -1.662 1.00 1.33 C ATOM 154 CG TYR A 687 5.730 -7.614 -2.584 1.00 2.53 C ATOM 155 CD1 TYR A 687 5.288 -8.870 -2.195 1.00 3.44 C ATOM 156 CD2 TYR A 687 6.261 -7.482 -3.862 1.00 3.03 C ATOM 157 CE1 TYR A 687 5.386 -9.958 -3.045 1.00 4.64 C ATOM 158 CE2 TYR A 687 6.358 -8.562 -4.716 1.00 4.21 C ATOM 159 CZ TYR A 687 5.873 -9.859 -4.226 1.00 4.97 C ATOM 160 OH TYR A 687 6.031 -10.877 -5.153 1.00 6.20 O ATOM 0 H TYR A 687 5.486 -5.598 1.254 1.00 0.46 H new ATOM 0 HA TYR A 687 6.327 -7.821 -0.355 1.00 0.69 H new ATOM 0 HB2 TYR A 687 4.597 -6.102 -1.539 1.00 1.33 H new ATOM 0 HB3 TYR A 687 6.161 -5.553 -2.106 1.00 1.33 H new ATOM 0 HD1 TYR A 687 4.860 -9.001 -1.212 1.00 3.44 H new ATOM 0 HD2 TYR A 687 6.605 -6.514 -4.194 1.00 3.03 H new ATOM 0 HE1 TYR A 687 5.041 -10.922 -2.702 1.00 4.64 H new ATOM 0 HE2 TYR A 687 6.775 -8.457 -5.707 1.00 4.21 H new ATOM 0 HH TYR A 687 6.428 -10.515 -5.972 1.00 6.20 H new ATOM 170 N PHE A 688 8.523 -6.723 -0.965 1.00 0.57 N ATOM 171 CA PHE A 688 9.943 -6.602 -0.725 1.00 0.60 C ATOM 172 C PHE A 688 10.431 -5.238 -1.179 1.00 0.63 C ATOM 173 O PHE A 688 10.466 -4.922 -2.368 1.00 0.69 O ATOM 174 CB PHE A 688 10.672 -7.673 -1.539 1.00 0.81 C ATOM 175 CG PHE A 688 10.007 -9.020 -1.524 1.00 1.20 C ATOM 176 CD1 PHE A 688 9.492 -9.570 -2.681 1.00 1.75 C ATOM 177 CD2 PHE A 688 9.894 -9.734 -0.343 1.00 1.41 C ATOM 178 CE1 PHE A 688 8.876 -10.806 -2.667 1.00 2.40 C ATOM 179 CE2 PHE A 688 9.279 -10.970 -0.320 1.00 2.00 C ATOM 180 CZ PHE A 688 8.784 -11.514 -1.505 1.00 2.48 C ATOM 0 H PHE A 688 8.284 -7.248 -1.806 1.00 0.57 H new ATOM 0 HA PHE A 688 10.140 -6.725 0.340 1.00 0.60 H new ATOM 0 HB2 PHE A 688 10.756 -7.334 -2.571 1.00 0.81 H new ATOM 0 HB3 PHE A 688 11.687 -7.777 -1.154 1.00 0.81 H new ATOM 0 HD1 PHE A 688 9.572 -9.026 -3.610 1.00 1.75 H new ATOM 0 HD2 PHE A 688 10.292 -9.319 0.571 1.00 1.41 H new ATOM 0 HE1 PHE A 688 8.466 -11.213 -3.579 1.00 2.40 H new ATOM 0 HE2 PHE A 688 9.182 -11.512 0.609 1.00 2.00 H new ATOM 0 HZ PHE A 688 8.329 -12.493 -1.502 1.00 2.48 H new ATOM 190 N ALA A 689 10.815 -4.448 -0.189 1.00 0.73 N ATOM 191 CA ALA A 689 11.203 -3.065 -0.385 1.00 0.85 C ATOM 192 C ALA A 689 12.618 -2.962 -0.892 1.00 0.81 C ATOM 193 O ALA A 689 13.445 -3.841 -0.641 1.00 0.80 O ATOM 194 CB ALA A 689 11.082 -2.316 0.927 1.00 1.07 C ATOM 0 H ALA A 689 10.866 -4.755 0.783 1.00 0.73 H new ATOM 0 HA ALA A 689 10.539 -2.626 -1.130 1.00 0.85 H new ATOM 0 HB1 ALA A 689 11.374 -1.276 0.780 1.00 1.07 H new ATOM 0 HB2 ALA A 689 10.050 -2.358 1.276 1.00 1.07 H new ATOM 0 HB3 ALA A 689 11.735 -2.775 1.669 1.00 1.07 H new ATOM 200 N ARG A 690 12.899 -1.896 -1.618 1.00 0.87 N ATOM 201 CA ARG A 690 14.265 -1.614 -1.984 1.00 0.87 C ATOM 202 C ARG A 690 14.870 -0.639 -0.999 1.00 0.85 C ATOM 203 O ARG A 690 14.909 0.576 -1.188 1.00 0.97 O ATOM 204 CB ARG A 690 14.362 -1.105 -3.416 1.00 1.06 C ATOM 205 CG ARG A 690 14.523 -2.231 -4.419 1.00 1.22 C ATOM 206 CD ARG A 690 13.397 -3.247 -4.311 1.00 1.47 C ATOM 207 NE ARG A 690 13.755 -4.507 -4.959 1.00 2.19 N ATOM 208 CZ ARG A 690 13.684 -5.701 -4.377 1.00 2.74 C ATOM 209 NH1 ARG A 690 13.248 -5.822 -3.131 1.00 2.85 N ATOM 210 NH2 ARG A 690 14.064 -6.782 -5.043 1.00 3.57 N ATOM 0 H ARG A 690 12.210 -1.225 -1.958 1.00 0.87 H new ATOM 0 HA ARG A 690 14.837 -2.541 -1.942 1.00 0.87 H new ATOM 0 HB2 ARG A 690 13.466 -0.533 -3.657 1.00 1.06 H new ATOM 0 HB3 ARG A 690 15.208 -0.423 -3.500 1.00 1.06 H new ATOM 0 HG2 ARG A 690 14.546 -1.819 -5.428 1.00 1.22 H new ATOM 0 HG3 ARG A 690 15.479 -2.729 -4.257 1.00 1.22 H new ATOM 0 HD2 ARG A 690 13.167 -3.428 -3.261 1.00 1.47 H new ATOM 0 HD3 ARG A 690 12.495 -2.843 -4.770 1.00 1.47 H new ATOM 0 HE ARG A 690 14.082 -4.468 -5.924 1.00 2.19 H new ATOM 0 HH11 ARG A 690 12.962 -4.994 -2.608 1.00 2.85 H new ATOM 0 HH12 ARG A 690 13.198 -6.743 -2.695 1.00 2.85 H new ATOM 0 HH21 ARG A 690 14.410 -6.697 -5.999 1.00 3.57 H new ATOM 0 HH22 ARG A 690 14.011 -7.699 -4.600 1.00 3.57 H new ATOM 224 N GLU A 691 15.328 -1.252 0.054 1.00 0.74 N ATOM 225 CA GLU A 691 16.122 -0.665 1.097 1.00 0.73 C ATOM 226 C GLU A 691 17.560 -1.101 0.869 1.00 0.72 C ATOM 227 O GLU A 691 17.825 -1.792 -0.113 1.00 0.76 O ATOM 228 CB GLU A 691 15.621 -1.106 2.476 1.00 0.70 C ATOM 229 CG GLU A 691 14.753 -0.081 3.184 1.00 0.99 C ATOM 230 CD GLU A 691 15.198 0.140 4.618 1.00 1.45 C ATOM 231 OE1 GLU A 691 14.835 -0.675 5.487 1.00 1.87 O ATOM 232 OE2 GLU A 691 15.893 1.143 4.888 1.00 1.98 O ATOM 0 H GLU A 691 15.145 -2.242 0.219 1.00 0.74 H new ATOM 0 HA GLU A 691 16.049 0.422 1.071 1.00 0.73 H new ATOM 0 HB2 GLU A 691 15.054 -2.030 2.365 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.481 -1.334 3.106 1.00 0.70 H new ATOM 0 HG2 GLU A 691 14.791 0.864 2.642 1.00 0.99 H new ATOM 0 HG3 GLU A 691 13.715 -0.414 3.173 1.00 0.99 H new ATOM 239 N PRO A 692 18.509 -0.644 1.700 1.00 0.77 N ATOM 240 CA PRO A 692 19.880 -1.195 1.797 1.00 0.85 C ATOM 241 C PRO A 692 19.967 -2.747 1.741 1.00 0.85 C ATOM 242 O PRO A 692 21.048 -3.317 1.898 1.00 1.01 O ATOM 243 CB PRO A 692 20.381 -0.686 3.160 1.00 0.96 C ATOM 244 CG PRO A 692 19.256 0.108 3.752 1.00 0.96 C ATOM 245 CD PRO A 692 18.359 0.492 2.614 1.00 0.88 C ATOM 0 HA PRO A 692 20.474 -0.873 0.941 1.00 0.85 H new ATOM 0 HB2 PRO A 692 20.654 -1.518 3.809 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.272 -0.069 3.041 1.00 0.96 H new ATOM 0 HG2 PRO A 692 18.713 -0.481 4.492 1.00 0.96 H new ATOM 0 HG3 PRO A 692 19.634 0.993 4.264 1.00 0.96 H new ATOM 0 HD2 PRO A 692 17.326 0.621 2.936 1.00 0.88 H new ATOM 0 HD3 PRO A 692 18.668 1.429 2.151 1.00 0.88 H new ATOM 253 N HIS A 693 18.821 -3.397 1.524 1.00 0.76 N ATOM 254 CA HIS A 693 18.634 -4.840 1.561 1.00 0.84 C ATOM 255 C HIS A 693 18.545 -5.326 2.984 1.00 0.83 C ATOM 256 O HIS A 693 19.256 -6.230 3.424 1.00 1.01 O ATOM 257 CB HIS A 693 19.717 -5.594 0.778 1.00 1.08 C ATOM 258 CG HIS A 693 19.311 -6.989 0.421 1.00 1.45 C ATOM 259 ND1 HIS A 693 20.055 -8.102 0.743 1.00 1.93 N ATOM 260 CD2 HIS A 693 18.216 -7.444 -0.230 1.00 2.20 C ATOM 261 CE1 HIS A 693 19.436 -9.182 0.305 1.00 2.48 C ATOM 262 NE2 HIS A 693 18.318 -8.809 -0.288 1.00 2.61 N ATOM 0 H HIS A 693 17.957 -2.900 1.307 1.00 0.76 H new ATOM 0 HA HIS A 693 17.689 -5.056 1.062 1.00 0.84 H new ATOM 0 HB2 HIS A 693 19.949 -5.044 -0.134 1.00 1.08 H new ATOM 0 HB3 HIS A 693 20.631 -5.627 1.371 1.00 1.08 H new ATOM 0 HD2 HIS A 693 17.412 -6.844 -0.629 1.00 2.20 H new ATOM 0 HE1 HIS A 693 19.785 -10.198 0.413 1.00 2.48 H new ATOM 0 HE2 HIS A 693 17.639 -9.436 -0.720 1.00 2.61 H new ATOM 271 N SER A 694 17.633 -4.676 3.688 1.00 0.71 N ATOM 272 CA SER A 694 17.112 -5.173 4.930 1.00 0.76 C ATOM 273 C SER A 694 16.037 -6.206 4.600 1.00 0.68 C ATOM 274 O SER A 694 15.816 -6.501 3.421 1.00 0.62 O ATOM 275 CB SER A 694 16.543 -4.016 5.748 1.00 0.82 C ATOM 276 OG SER A 694 15.801 -3.135 4.920 1.00 1.14 O ATOM 0 H SER A 694 17.236 -3.781 3.402 1.00 0.71 H new ATOM 0 HA SER A 694 17.894 -5.641 5.528 1.00 0.76 H new ATOM 0 HB2 SER A 694 15.903 -4.404 6.540 1.00 0.82 H new ATOM 0 HB3 SER A 694 17.354 -3.472 6.231 1.00 0.82 H new ATOM 0 HG SER A 694 15.609 -2.309 5.411 1.00 1.14 H new ATOM 282 N LYS A 695 15.381 -6.764 5.600 1.00 0.75 N ATOM 283 CA LYS A 695 14.380 -7.791 5.341 1.00 0.73 C ATOM 284 C LYS A 695 13.186 -7.215 4.559 1.00 0.59 C ATOM 285 O LYS A 695 12.963 -5.999 4.567 1.00 0.56 O ATOM 286 CB LYS A 695 13.906 -8.438 6.658 1.00 0.91 C ATOM 287 CG LYS A 695 12.885 -7.619 7.447 1.00 1.71 C ATOM 288 CD LYS A 695 13.453 -6.294 7.928 1.00 2.33 C ATOM 289 CE LYS A 695 12.373 -5.421 8.545 1.00 3.33 C ATOM 290 NZ LYS A 695 12.861 -4.041 8.806 1.00 4.08 N ATOM 0 H LYS A 695 15.517 -6.532 6.584 1.00 0.75 H new ATOM 0 HA LYS A 695 14.844 -8.563 4.728 1.00 0.73 H new ATOM 0 HB2 LYS A 695 13.472 -9.412 6.432 1.00 0.91 H new ATOM 0 HB3 LYS A 695 14.775 -8.616 7.292 1.00 0.91 H new ATOM 0 HG2 LYS A 695 12.012 -7.432 6.822 1.00 1.71 H new ATOM 0 HG3 LYS A 695 12.544 -8.198 8.305 1.00 1.71 H new ATOM 0 HD2 LYS A 695 14.238 -6.477 8.661 1.00 2.33 H new ATOM 0 HD3 LYS A 695 13.914 -5.769 7.092 1.00 2.33 H new ATOM 0 HE2 LYS A 695 11.512 -5.382 7.878 1.00 3.33 H new ATOM 0 HE3 LYS A 695 12.033 -5.869 9.479 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 12.096 -3.476 9.227 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 13.667 -4.076 9.462 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 13.162 -3.604 7.911 1.00 4.08 H new ATOM 304 N PRO A 696 12.422 -8.079 3.857 1.00 0.58 N ATOM 305 CA PRO A 696 11.235 -7.665 3.093 1.00 0.49 C ATOM 306 C PRO A 696 10.260 -6.870 3.947 1.00 0.45 C ATOM 307 O PRO A 696 10.154 -7.104 5.153 1.00 0.57 O ATOM 308 CB PRO A 696 10.593 -8.989 2.663 1.00 0.63 C ATOM 309 CG PRO A 696 11.289 -10.053 3.442 1.00 0.94 C ATOM 310 CD PRO A 696 12.659 -9.522 3.735 1.00 0.74 C ATOM 0 HA PRO A 696 11.499 -7.016 2.258 1.00 0.49 H new ATOM 0 HB2 PRO A 696 9.523 -8.990 2.871 1.00 0.63 H new ATOM 0 HB3 PRO A 696 10.710 -9.150 1.591 1.00 0.63 H new ATOM 0 HG2 PRO A 696 10.752 -10.276 4.364 1.00 0.94 H new ATOM 0 HG3 PRO A 696 11.344 -10.981 2.872 1.00 0.94 H new ATOM 0 HD2 PRO A 696 13.070 -9.944 4.652 1.00 0.74 H new ATOM 0 HD3 PRO A 696 13.363 -9.751 2.935 1.00 0.74 H new ATOM 318 N ILE A 697 9.524 -5.947 3.337 1.00 0.46 N ATOM 319 CA ILE A 697 8.737 -5.030 4.128 1.00 0.56 C ATOM 320 C ILE A 697 7.260 -5.349 4.096 1.00 0.51 C ATOM 321 O ILE A 697 6.601 -5.305 3.059 1.00 0.63 O ATOM 322 CB ILE A 697 8.982 -3.548 3.741 1.00 0.82 C ATOM 323 CG1 ILE A 697 10.218 -3.036 4.482 1.00 1.02 C ATOM 324 CG2 ILE A 697 7.766 -2.683 4.074 1.00 1.01 C ATOM 325 CD1 ILE A 697 10.064 -3.079 5.990 1.00 1.15 C ATOM 0 H ILE A 697 9.461 -5.821 2.327 1.00 0.46 H new ATOM 0 HA ILE A 697 9.081 -5.167 5.153 1.00 0.56 H new ATOM 0 HB ILE A 697 9.146 -3.486 2.665 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.082 -3.635 4.193 1.00 1.02 H new ATOM 0 HG13 ILE A 697 10.422 -2.011 4.172 1.00 1.02 H new ATOM 0 HG21 ILE A 697 7.967 -1.649 3.792 1.00 1.01 H new ATOM 0 HG22 ILE A 697 6.899 -3.048 3.524 1.00 1.01 H new ATOM 0 HG23 ILE A 697 7.565 -2.735 5.144 1.00 1.01 H new ATOM 0 HD11 ILE A 697 10.973 -2.703 6.459 1.00 1.15 H new ATOM 0 HD12 ILE A 697 9.219 -2.458 6.287 1.00 1.15 H new ATOM 0 HD13 ILE A 697 9.889 -4.107 6.309 1.00 1.15 H new ATOM 337 N LYS A 698 6.769 -5.691 5.258 1.00 0.56 N ATOM 338 CA LYS A 698 5.360 -5.704 5.520 1.00 0.65 C ATOM 339 C LYS A 698 5.047 -4.564 6.464 1.00 0.46 C ATOM 340 O LYS A 698 5.524 -4.534 7.601 1.00 0.52 O ATOM 341 CB LYS A 698 4.929 -7.024 6.139 1.00 1.04 C ATOM 342 CG LYS A 698 5.813 -7.468 7.290 1.00 1.91 C ATOM 343 CD LYS A 698 4.978 -7.950 8.455 1.00 2.12 C ATOM 344 CE LYS A 698 4.325 -9.292 8.160 1.00 2.62 C ATOM 345 NZ LYS A 698 5.331 -10.383 8.052 1.00 3.17 N ATOM 0 H LYS A 698 7.343 -5.970 6.054 1.00 0.56 H new ATOM 0 HA LYS A 698 4.816 -5.587 4.583 1.00 0.65 H new ATOM 0 HB2 LYS A 698 3.902 -6.932 6.494 1.00 1.04 H new ATOM 0 HB3 LYS A 698 4.933 -7.796 5.369 1.00 1.04 H new ATOM 0 HG2 LYS A 698 6.476 -8.266 6.958 1.00 1.91 H new ATOM 0 HG3 LYS A 698 6.446 -6.640 7.609 1.00 1.91 H new ATOM 0 HD2 LYS A 698 5.606 -8.038 9.342 1.00 2.12 H new ATOM 0 HD3 LYS A 698 4.208 -7.212 8.681 1.00 2.12 H new ATOM 0 HE2 LYS A 698 3.613 -9.531 8.950 1.00 2.62 H new ATOM 0 HE3 LYS A 698 3.760 -9.225 7.230 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 4.853 -11.304 8.122 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 5.819 -10.315 7.136 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 6.025 -10.293 8.822 1.00 3.17 H new ATOM 359 N PHE A 699 4.274 -3.616 6.003 1.00 0.41 N ATOM 360 CA PHE A 699 3.942 -2.487 6.829 1.00 0.33 C ATOM 361 C PHE A 699 2.444 -2.337 6.899 1.00 0.32 C ATOM 362 O PHE A 699 1.753 -2.386 5.878 1.00 0.33 O ATOM 363 CB PHE A 699 4.583 -1.204 6.297 1.00 0.41 C ATOM 364 CG PHE A 699 4.766 -0.158 7.356 1.00 0.77 C ATOM 365 CD1 PHE A 699 3.805 0.814 7.557 1.00 1.08 C ATOM 366 CD2 PHE A 699 5.898 -0.152 8.157 1.00 1.27 C ATOM 367 CE1 PHE A 699 3.962 1.773 8.536 1.00 1.58 C ATOM 368 CE2 PHE A 699 6.063 0.807 9.138 1.00 1.76 C ATOM 369 CZ PHE A 699 5.092 1.770 9.326 1.00 1.84 C ATOM 0 H PHE A 699 3.866 -3.603 5.068 1.00 0.41 H new ATOM 0 HA PHE A 699 4.335 -2.662 7.830 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.552 -1.443 5.859 1.00 0.41 H new ATOM 0 HB3 PHE A 699 3.963 -0.799 5.497 1.00 0.41 H new ATOM 0 HD1 PHE A 699 2.919 0.823 6.939 1.00 1.08 H new ATOM 0 HD2 PHE A 699 6.659 -0.905 8.013 1.00 1.27 H new ATOM 0 HE1 PHE A 699 3.201 2.525 8.683 1.00 1.58 H new ATOM 0 HE2 PHE A 699 6.949 0.803 9.756 1.00 1.76 H new ATOM 0 HZ PHE A 699 5.217 2.521 10.092 1.00 1.84 H new ATOM 379 N LEU A 700 1.942 -2.180 8.101 1.00 0.32 N ATOM 380 CA LEU A 700 0.544 -1.922 8.293 1.00 0.31 C ATOM 381 C LEU A 700 0.365 -0.421 8.321 1.00 0.28 C ATOM 382 O LEU A 700 0.768 0.245 9.275 1.00 0.34 O ATOM 383 CB LEU A 700 0.068 -2.575 9.603 1.00 0.38 C ATOM 384 CG LEU A 700 -1.438 -2.512 9.890 1.00 0.49 C ATOM 385 CD1 LEU A 700 -1.838 -3.632 10.836 1.00 0.98 C ATOM 386 CD2 LEU A 700 -1.823 -1.173 10.497 1.00 0.73 C ATOM 0 H LEU A 700 2.488 -2.228 8.961 1.00 0.32 H new ATOM 0 HA LEU A 700 -0.055 -2.347 7.488 1.00 0.31 H new ATOM 0 HB2 LEU A 700 0.370 -3.622 9.592 1.00 0.38 H new ATOM 0 HB3 LEU A 700 0.594 -2.101 10.432 1.00 0.38 H new ATOM 0 HG LEU A 700 -1.965 -2.629 8.943 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -2.909 -3.577 11.032 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -1.601 -4.594 10.382 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -1.291 -3.529 11.773 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -2.896 -1.156 10.690 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -1.283 -1.029 11.433 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -1.566 -0.372 9.804 1.00 0.73 H new ATOM 398 N VAL A 701 -0.204 0.115 7.259 1.00 0.25 N ATOM 399 CA VAL A 701 -0.414 1.538 7.174 1.00 0.27 C ATOM 400 C VAL A 701 -1.853 1.873 7.505 1.00 0.24 C ATOM 401 O VAL A 701 -2.773 1.227 6.997 1.00 0.28 O ATOM 402 CB VAL A 701 -0.078 2.095 5.776 1.00 0.35 C ATOM 403 CG1 VAL A 701 1.425 2.212 5.594 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.686 1.220 4.692 1.00 0.41 C ATOM 0 H VAL A 701 -0.526 -0.415 6.449 1.00 0.25 H new ATOM 0 HA VAL A 701 0.259 2.002 7.895 1.00 0.27 H new ATOM 0 HB VAL A 701 -0.509 3.092 5.691 1.00 0.35 H new ATOM 0 HG11 VAL A 701 1.642 2.607 4.601 1.00 0.36 H new ATOM 0 HG12 VAL A 701 1.832 2.885 6.349 1.00 0.36 H new ATOM 0 HG13 VAL A 701 1.882 1.228 5.701 1.00 0.36 H new ATOM 0 HG21 VAL A 701 -0.438 1.629 3.713 1.00 0.41 H new ATOM 0 HG22 VAL A 701 -0.287 0.209 4.774 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.769 1.194 4.811 1.00 0.41 H new ATOM 414 N SER A 702 -2.072 2.841 8.374 1.00 0.26 N ATOM 415 CA SER A 702 -3.410 3.343 8.523 1.00 0.27 C ATOM 416 C SER A 702 -3.484 4.722 7.900 1.00 0.28 C ATOM 417 O SER A 702 -3.061 5.724 8.476 1.00 0.34 O ATOM 418 CB SER A 702 -3.817 3.362 10.002 1.00 0.34 C ATOM 419 OG SER A 702 -2.891 4.082 10.806 1.00 1.39 O ATOM 0 H SER A 702 -1.365 3.278 8.965 1.00 0.26 H new ATOM 0 HA SER A 702 -4.115 2.688 8.010 1.00 0.27 H new ATOM 0 HB2 SER A 702 -4.805 3.811 10.099 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.895 2.338 10.369 1.00 0.34 H new ATOM 0 HG SER A 702 -2.508 4.818 10.284 1.00 1.39 H new ATOM 425 N VAL A 703 -4.051 4.748 6.715 1.00 0.28 N ATOM 426 CA VAL A 703 -4.241 5.960 5.956 1.00 0.34 C ATOM 427 C VAL A 703 -5.456 5.741 5.097 1.00 0.36 C ATOM 428 O VAL A 703 -5.769 4.606 4.768 1.00 0.40 O ATOM 429 CB VAL A 703 -3.048 6.297 5.018 1.00 0.42 C ATOM 430 CG1 VAL A 703 -3.106 7.749 4.569 1.00 0.77 C ATOM 431 CG2 VAL A 703 -1.708 5.995 5.664 1.00 0.56 C ATOM 0 H VAL A 703 -4.399 3.912 6.245 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.340 6.790 6.656 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.140 5.654 4.143 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -2.261 7.961 3.914 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -4.037 7.926 4.030 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -3.062 8.402 5.441 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -0.905 6.246 4.971 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -1.601 6.586 6.573 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -1.654 4.935 5.912 1.00 0.56 H new ATOM 441 N SER A 704 -6.117 6.792 4.722 1.00 0.44 N ATOM 442 CA SER A 704 -7.184 6.686 3.764 1.00 0.48 C ATOM 443 C SER A 704 -6.946 7.748 2.713 1.00 0.66 C ATOM 444 O SER A 704 -6.062 8.592 2.893 1.00 0.82 O ATOM 445 CB SER A 704 -8.538 6.912 4.439 1.00 0.49 C ATOM 446 OG SER A 704 -8.669 8.252 4.872 1.00 1.19 O ATOM 0 H SER A 704 -5.939 7.737 5.063 1.00 0.44 H new ATOM 0 HA SER A 704 -7.199 5.691 3.319 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.341 6.671 3.742 1.00 0.49 H new ATOM 0 HB3 SER A 704 -8.641 6.239 5.290 1.00 0.49 H new ATOM 0 HG SER A 704 -9.604 8.430 5.107 1.00 1.19 H new ATOM 452 N LYS A 705 -7.687 7.725 1.621 1.00 0.87 N ATOM 453 CA LYS A 705 -7.697 8.881 0.755 1.00 1.08 C ATOM 454 C LYS A 705 -8.439 9.986 1.468 1.00 0.96 C ATOM 455 O LYS A 705 -9.664 10.093 1.391 1.00 1.22 O ATOM 456 CB LYS A 705 -8.357 8.617 -0.603 1.00 1.57 C ATOM 457 CG LYS A 705 -8.586 9.876 -1.433 1.00 2.47 C ATOM 458 CD LYS A 705 -9.522 9.624 -2.600 1.00 3.17 C ATOM 459 CE LYS A 705 -10.980 9.801 -2.199 1.00 3.91 C ATOM 460 NZ LYS A 705 -11.294 11.217 -1.856 1.00 4.66 N ATOM 0 H LYS A 705 -8.271 6.944 1.322 1.00 0.87 H new ATOM 0 HA LYS A 705 -6.663 9.153 0.545 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -7.733 7.927 -1.171 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -9.314 8.121 -0.441 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -9.001 10.659 -0.798 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -7.630 10.242 -1.807 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -9.282 10.309 -3.413 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -9.368 8.613 -2.978 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -11.623 9.474 -3.016 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -11.201 9.163 -1.344 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -12.312 11.388 -1.985 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -11.035 11.400 -0.865 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -10.755 11.853 -2.478 1.00 4.66 H new ATOM 474 N GLU A 706 -7.689 10.764 2.211 1.00 0.96 N ATOM 475 CA GLU A 706 -8.159 12.036 2.683 1.00 1.16 C ATOM 476 C GLU A 706 -8.330 12.945 1.471 1.00 1.49 C ATOM 477 O GLU A 706 -8.170 12.500 0.333 1.00 1.84 O ATOM 478 CB GLU A 706 -7.202 12.651 3.708 1.00 1.55 C ATOM 479 CG GLU A 706 -7.032 11.812 4.963 1.00 1.85 C ATOM 480 CD GLU A 706 -6.293 12.549 6.064 1.00 2.27 C ATOM 481 OE1 GLU A 706 -6.954 13.059 6.994 1.00 2.69 O ATOM 482 OE2 GLU A 706 -5.047 12.634 5.996 1.00 2.79 O ATOM 0 H GLU A 706 -6.740 10.531 2.502 1.00 0.96 H new ATOM 0 HA GLU A 706 -9.111 11.909 3.198 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -6.227 12.794 3.242 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -7.569 13.638 3.988 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -8.013 11.510 5.329 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -6.490 10.900 4.715 1.00 1.85 H new ATOM 489 N ASN A 707 -8.665 14.196 1.719 1.00 1.81 N ATOM 490 CA ASN A 707 -9.204 15.102 0.702 1.00 2.13 C ATOM 491 C ASN A 707 -8.305 15.281 -0.546 1.00 1.71 C ATOM 492 O ASN A 707 -8.683 16.019 -1.460 1.00 1.87 O ATOM 493 CB ASN A 707 -9.446 16.467 1.366 1.00 2.79 C ATOM 494 CG ASN A 707 -10.145 17.486 0.480 1.00 3.37 C ATOM 495 OD1 ASN A 707 -9.825 18.675 0.520 1.00 3.87 O ATOM 496 ND2 ASN A 707 -11.126 17.047 -0.291 1.00 3.89 N ATOM 0 H ASN A 707 -8.573 14.625 2.640 1.00 1.81 H new ATOM 0 HA ASN A 707 -10.125 14.654 0.329 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -10.042 16.318 2.266 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -8.487 16.877 1.683 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -11.645 17.700 -0.878 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -11.364 16.055 -0.299 1.00 3.89 H new ATOM 503 N SER A 708 -7.155 14.603 -0.643 1.00 1.30 N ATOM 504 CA SER A 708 -6.296 14.844 -1.792 1.00 1.07 C ATOM 505 C SER A 708 -6.120 13.633 -2.722 1.00 0.94 C ATOM 506 O SER A 708 -6.542 13.681 -3.877 1.00 1.14 O ATOM 507 CB SER A 708 -4.919 15.241 -1.270 1.00 1.20 C ATOM 508 OG SER A 708 -5.020 16.302 -0.335 1.00 1.82 O ATOM 0 H SER A 708 -6.815 13.916 0.029 1.00 1.30 H new ATOM 0 HA SER A 708 -6.776 15.623 -2.384 1.00 1.07 H new ATOM 0 HB2 SER A 708 -4.442 14.381 -0.800 1.00 1.20 H new ATOM 0 HB3 SER A 708 -4.283 15.543 -2.102 1.00 1.20 H new ATOM 0 HG SER A 708 -4.126 16.539 -0.012 1.00 1.82 H new ATOM 514 N THR A 709 -5.526 12.540 -2.237 1.00 0.79 N ATOM 515 CA THR A 709 -5.298 11.386 -3.103 1.00 0.73 C ATOM 516 C THR A 709 -5.496 10.038 -2.414 1.00 0.64 C ATOM 517 O THR A 709 -5.434 9.929 -1.189 1.00 0.67 O ATOM 518 CB THR A 709 -3.911 11.455 -3.781 1.00 0.81 C ATOM 519 OG1 THR A 709 -3.737 10.341 -4.662 1.00 0.90 O ATOM 520 CG2 THR A 709 -2.785 11.474 -2.761 1.00 0.85 C ATOM 0 H THR A 709 -5.203 12.432 -1.276 1.00 0.79 H new ATOM 0 HA THR A 709 -6.072 11.447 -3.869 1.00 0.73 H new ATOM 0 HB THR A 709 -3.871 12.385 -4.348 1.00 0.81 H new ATOM 0 HG1 THR A 709 -2.813 10.324 -4.989 1.00 0.90 H new ATOM 0 HG21 THR A 709 -1.827 11.523 -3.278 1.00 0.85 H new ATOM 0 HG22 THR A 709 -2.894 12.345 -2.115 1.00 0.85 H new ATOM 0 HG23 THR A 709 -2.826 10.567 -2.157 1.00 0.85 H new ATOM 528 N ALA A 710 -5.698 9.008 -3.240 1.00 0.68 N ATOM 529 CA ALA A 710 -5.701 7.618 -2.802 1.00 0.65 C ATOM 530 C ALA A 710 -4.273 7.143 -2.553 1.00 0.48 C ATOM 531 O ALA A 710 -4.035 6.195 -1.807 1.00 0.46 O ATOM 532 CB ALA A 710 -6.364 6.749 -3.866 1.00 0.86 C ATOM 0 H ALA A 710 -5.865 9.121 -4.240 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.262 7.537 -1.871 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -6.366 5.710 -3.538 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -7.390 7.082 -4.021 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -5.810 6.833 -4.801 1.00 0.86 H new ATOM 538 N SER A 711 -3.338 7.833 -3.189 1.00 0.49 N ATOM 539 CA SER A 711 -1.926 7.471 -3.197 1.00 0.51 C ATOM 540 C SER A 711 -1.313 7.523 -1.804 1.00 0.43 C ATOM 541 O SER A 711 -0.364 6.800 -1.520 1.00 0.43 O ATOM 542 CB SER A 711 -1.153 8.384 -4.149 1.00 0.70 C ATOM 543 OG SER A 711 -1.667 8.288 -5.466 1.00 1.55 O ATOM 0 H SER A 711 -3.542 8.677 -3.725 1.00 0.49 H new ATOM 0 HA SER A 711 -1.855 6.441 -3.546 1.00 0.51 H new ATOM 0 HB2 SER A 711 -1.217 9.416 -3.803 1.00 0.70 H new ATOM 0 HB3 SER A 711 -0.098 8.111 -4.145 1.00 0.70 H new ATOM 0 HG SER A 711 -1.160 8.881 -6.059 1.00 1.55 H new ATOM 549 N GLU A 712 -1.864 8.371 -0.943 1.00 0.43 N ATOM 550 CA GLU A 712 -1.292 8.630 0.370 1.00 0.46 C ATOM 551 C GLU A 712 -1.095 7.348 1.172 1.00 0.39 C ATOM 552 O GLU A 712 -0.164 7.251 1.973 1.00 0.42 O ATOM 553 CB GLU A 712 -2.201 9.589 1.127 1.00 0.56 C ATOM 554 CG GLU A 712 -2.321 10.941 0.451 1.00 0.67 C ATOM 555 CD GLU A 712 -1.241 11.909 0.888 1.00 1.19 C ATOM 556 OE1 GLU A 712 -0.063 11.675 0.561 1.00 1.54 O ATOM 557 OE2 GLU A 712 -1.568 12.921 1.544 1.00 1.78 O ATOM 0 H GLU A 712 -2.717 8.896 -1.136 1.00 0.43 H new ATOM 0 HA GLU A 712 -0.307 9.075 0.232 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.192 9.145 1.221 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -1.816 9.726 2.138 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -2.269 10.809 -0.630 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -3.299 11.369 0.673 1.00 0.67 H new ATOM 564 N VAL A 713 -1.954 6.362 0.965 1.00 0.34 N ATOM 565 CA VAL A 713 -1.824 5.108 1.679 1.00 0.33 C ATOM 566 C VAL A 713 -0.576 4.342 1.225 1.00 0.29 C ATOM 567 O VAL A 713 0.203 3.858 2.047 1.00 0.29 O ATOM 568 CB VAL A 713 -3.087 4.233 1.529 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.290 4.977 2.066 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.332 3.810 0.089 1.00 0.40 C ATOM 0 H VAL A 713 -2.739 6.407 0.315 1.00 0.34 H new ATOM 0 HA VAL A 713 -1.712 5.348 2.736 1.00 0.33 H new ATOM 0 HB VAL A 713 -2.926 3.323 2.106 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.180 4.356 1.958 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.134 5.208 3.120 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.424 5.903 1.507 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -4.232 3.197 0.038 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.461 4.695 -0.533 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.479 3.234 -0.271 1.00 0.40 H new ATOM 580 N LEU A 714 -0.384 4.263 -0.086 1.00 0.33 N ATOM 581 CA LEU A 714 0.779 3.601 -0.664 1.00 0.37 C ATOM 582 C LEU A 714 2.022 4.441 -0.378 1.00 0.34 C ATOM 583 O LEU A 714 3.130 3.930 -0.223 1.00 0.37 O ATOM 584 CB LEU A 714 0.569 3.368 -2.170 1.00 0.46 C ATOM 585 CG LEU A 714 1.171 4.412 -3.103 1.00 0.45 C ATOM 586 CD1 LEU A 714 2.520 3.935 -3.606 1.00 0.64 C ATOM 587 CD2 LEU A 714 0.236 4.689 -4.269 1.00 0.84 C ATOM 0 H LEU A 714 -1.026 4.654 -0.775 1.00 0.33 H new ATOM 0 HA LEU A 714 0.918 2.620 -0.209 1.00 0.37 H new ATOM 0 HB2 LEU A 714 0.988 2.396 -2.428 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.503 3.314 -2.362 1.00 0.46 H new ATOM 0 HG LEU A 714 1.308 5.341 -2.550 1.00 0.45 H new ATOM 0 HD11 LEU A 714 2.946 4.685 -4.272 1.00 0.64 H new ATOM 0 HD12 LEU A 714 3.189 3.779 -2.760 1.00 0.64 H new ATOM 0 HD13 LEU A 714 2.396 2.997 -4.148 1.00 0.64 H new ATOM 0 HD21 LEU A 714 0.683 5.437 -4.924 1.00 0.84 H new ATOM 0 HD22 LEU A 714 0.070 3.769 -4.829 1.00 0.84 H new ATOM 0 HD23 LEU A 714 -0.717 5.060 -3.891 1.00 0.84 H new ATOM 599 N ASP A 715 1.813 5.749 -0.349 1.00 0.32 N ATOM 600 CA ASP A 715 2.853 6.707 -0.004 1.00 0.34 C ATOM 601 C ASP A 715 3.412 6.415 1.385 1.00 0.32 C ATOM 602 O ASP A 715 4.623 6.451 1.595 1.00 0.36 O ATOM 603 CB ASP A 715 2.279 8.121 -0.064 1.00 0.40 C ATOM 604 CG ASP A 715 3.254 9.179 0.409 1.00 0.99 C ATOM 605 OD1 ASP A 715 4.027 9.689 -0.424 1.00 1.94 O ATOM 606 OD2 ASP A 715 3.239 9.520 1.611 1.00 1.37 O ATOM 0 H ASP A 715 0.913 6.178 -0.565 1.00 0.32 H new ATOM 0 HA ASP A 715 3.670 6.621 -0.720 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.981 8.342 -1.089 1.00 0.40 H new ATOM 0 HB3 ASP A 715 1.378 8.167 0.547 1.00 0.40 H new ATOM 611 N SER A 716 2.522 6.097 2.325 1.00 0.28 N ATOM 612 CA SER A 716 2.924 5.708 3.667 1.00 0.28 C ATOM 613 C SER A 716 3.818 4.477 3.617 1.00 0.30 C ATOM 614 O SER A 716 4.788 4.358 4.367 1.00 0.33 O ATOM 615 CB SER A 716 1.684 5.425 4.509 1.00 0.29 C ATOM 616 OG SER A 716 1.406 6.498 5.396 1.00 0.41 O ATOM 0 H SER A 716 1.513 6.103 2.175 1.00 0.28 H new ATOM 0 HA SER A 716 3.488 6.524 4.120 1.00 0.28 H new ATOM 0 HB2 SER A 716 0.828 5.260 3.855 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.831 4.508 5.079 1.00 0.29 H new ATOM 0 HG SER A 716 0.968 6.152 6.201 1.00 0.41 H new ATOM 622 N LEU A 717 3.465 3.566 2.729 1.00 0.32 N ATOM 623 CA LEU A 717 4.191 2.330 2.541 1.00 0.39 C ATOM 624 C LEU A 717 5.643 2.584 2.168 1.00 0.37 C ATOM 625 O LEU A 717 6.564 2.144 2.856 1.00 0.43 O ATOM 626 CB LEU A 717 3.518 1.555 1.418 1.00 0.52 C ATOM 627 CG LEU A 717 2.828 0.264 1.822 1.00 0.75 C ATOM 628 CD1 LEU A 717 2.853 0.083 3.329 1.00 1.42 C ATOM 629 CD2 LEU A 717 1.407 0.272 1.300 1.00 1.42 C ATOM 0 H LEU A 717 2.658 3.667 2.114 1.00 0.32 H new ATOM 0 HA LEU A 717 4.180 1.769 3.475 1.00 0.39 H new ATOM 0 HB2 LEU A 717 2.782 2.205 0.945 1.00 0.52 H new ATOM 0 HB3 LEU A 717 4.269 1.322 0.663 1.00 0.52 H new ATOM 0 HG LEU A 717 3.364 -0.579 1.385 1.00 0.75 H new ATOM 0 HD11 LEU A 717 2.352 -0.849 3.592 1.00 1.42 H new ATOM 0 HD12 LEU A 717 3.886 0.050 3.674 1.00 1.42 H new ATOM 0 HD13 LEU A 717 2.338 0.918 3.804 1.00 1.42 H new ATOM 0 HD21 LEU A 717 0.908 -0.653 1.588 1.00 1.42 H new ATOM 0 HD22 LEU A 717 0.869 1.121 1.722 1.00 1.42 H new ATOM 0 HD23 LEU A 717 1.419 0.354 0.213 1.00 1.42 H new ATOM 641 N SER A 718 5.833 3.323 1.092 1.00 0.33 N ATOM 642 CA SER A 718 7.161 3.596 0.578 1.00 0.38 C ATOM 643 C SER A 718 7.959 4.529 1.484 1.00 0.30 C ATOM 644 O SER A 718 9.163 4.356 1.643 1.00 0.31 O ATOM 645 CB SER A 718 7.053 4.176 -0.823 1.00 0.50 C ATOM 646 OG SER A 718 6.390 3.273 -1.691 1.00 1.52 O ATOM 0 H SER A 718 5.078 3.748 0.553 1.00 0.33 H new ATOM 0 HA SER A 718 7.705 2.652 0.547 1.00 0.38 H new ATOM 0 HB2 SER A 718 6.510 5.121 -0.790 1.00 0.50 H new ATOM 0 HB3 SER A 718 8.049 4.394 -1.209 1.00 0.50 H new ATOM 0 HG SER A 718 5.426 3.446 -1.669 1.00 1.52 H new ATOM 652 N GLN A 719 7.303 5.510 2.093 1.00 0.29 N ATOM 653 CA GLN A 719 8.010 6.452 2.954 1.00 0.31 C ATOM 654 C GLN A 719 8.536 5.740 4.193 1.00 0.35 C ATOM 655 O GLN A 719 9.563 6.123 4.752 1.00 0.41 O ATOM 656 CB GLN A 719 7.119 7.621 3.355 1.00 0.37 C ATOM 657 CG GLN A 719 6.080 7.246 4.383 1.00 0.39 C ATOM 658 CD GLN A 719 5.349 8.445 4.954 1.00 0.48 C ATOM 659 OE1 GLN A 719 5.757 9.000 5.973 1.00 1.10 O ATOM 660 NE2 GLN A 719 4.281 8.866 4.298 1.00 1.35 N ATOM 0 H GLN A 719 6.300 5.673 2.010 1.00 0.29 H new ATOM 0 HA GLN A 719 8.851 6.854 2.389 1.00 0.31 H new ATOM 0 HB2 GLN A 719 7.740 8.425 3.751 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.620 8.011 2.468 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.356 6.569 3.929 1.00 0.39 H new ATOM 0 HG3 GLN A 719 6.561 6.701 5.195 1.00 0.39 H new ATOM 0 HE21 GLN A 719 3.974 8.378 3.456 1.00 1.35 H new ATOM 0 HE22 GLN A 719 3.764 9.679 4.634 1.00 1.35 H new ATOM 669 N SER A 720 7.820 4.702 4.617 1.00 0.35 N ATOM 670 CA SER A 720 8.280 3.824 5.681 1.00 0.45 C ATOM 671 C SER A 720 9.572 3.126 5.274 1.00 0.49 C ATOM 672 O SER A 720 10.395 2.751 6.111 1.00 0.60 O ATOM 673 CB SER A 720 7.197 2.796 5.975 1.00 0.50 C ATOM 674 OG SER A 720 6.070 3.411 6.578 1.00 0.51 O ATOM 0 H SER A 720 6.909 4.449 4.233 1.00 0.35 H new ATOM 0 HA SER A 720 8.480 4.413 6.576 1.00 0.45 H new ATOM 0 HB2 SER A 720 6.897 2.303 5.051 1.00 0.50 H new ATOM 0 HB3 SER A 720 7.592 2.023 6.635 1.00 0.50 H new ATOM 0 HG SER A 720 5.426 3.666 5.884 1.00 0.51 H new ATOM 680 N VAL A 721 9.729 2.975 3.974 1.00 0.45 N ATOM 681 CA VAL A 721 10.901 2.357 3.384 1.00 0.54 C ATOM 682 C VAL A 721 11.986 3.411 3.121 1.00 0.53 C ATOM 683 O VAL A 721 13.119 3.097 2.750 1.00 0.67 O ATOM 684 CB VAL A 721 10.485 1.640 2.074 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.684 1.148 1.289 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.539 0.493 2.388 1.00 0.70 C ATOM 0 H VAL A 721 9.038 3.282 3.289 1.00 0.45 H new ATOM 0 HA VAL A 721 11.319 1.623 4.073 1.00 0.54 H new ATOM 0 HB VAL A 721 9.970 2.367 1.446 1.00 0.58 H new ATOM 0 HG11 VAL A 721 11.345 0.652 0.379 1.00 0.65 H new ATOM 0 HG12 VAL A 721 12.319 1.994 1.026 1.00 0.65 H new ATOM 0 HG13 VAL A 721 12.252 0.443 1.896 1.00 0.65 H new ATOM 0 HG21 VAL A 721 9.252 -0.005 1.462 1.00 0.70 H new ATOM 0 HG22 VAL A 721 10.037 -0.220 3.045 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.649 0.881 2.883 1.00 0.70 H new ATOM 696 N HIS A 722 11.628 4.670 3.387 1.00 0.44 N ATOM 697 CA HIS A 722 12.523 5.811 3.178 1.00 0.50 C ATOM 698 C HIS A 722 12.816 5.967 1.693 1.00 0.47 C ATOM 699 O HIS A 722 13.907 6.344 1.272 1.00 0.60 O ATOM 700 CB HIS A 722 13.815 5.637 3.989 1.00 0.69 C ATOM 701 CG HIS A 722 14.701 6.851 4.007 1.00 1.37 C ATOM 702 ND1 HIS A 722 15.993 6.853 3.528 1.00 2.03 N ATOM 703 CD2 HIS A 722 14.470 8.107 4.459 1.00 2.30 C ATOM 704 CE1 HIS A 722 16.515 8.053 3.686 1.00 2.74 C ATOM 705 NE2 HIS A 722 15.614 8.834 4.248 1.00 2.91 N ATOM 0 H HIS A 722 10.711 4.927 3.753 1.00 0.44 H new ATOM 0 HA HIS A 722 12.036 6.720 3.529 1.00 0.50 H new ATOM 0 HB2 HIS A 722 13.554 5.377 5.015 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.377 4.797 3.580 1.00 0.69 H new ATOM 0 HD1 HIS A 722 16.471 6.052 3.116 1.00 2.03 H new ATOM 0 HD2 HIS A 722 13.555 8.469 4.903 1.00 2.30 H new ATOM 0 HE1 HIS A 722 17.515 8.347 3.402 1.00 2.74 H new ATOM 714 N VAL A 723 11.803 5.663 0.915 1.00 0.36 N ATOM 715 CA VAL A 723 11.832 5.836 -0.520 1.00 0.39 C ATOM 716 C VAL A 723 10.543 6.516 -0.962 1.00 0.36 C ATOM 717 O VAL A 723 9.541 6.468 -0.249 1.00 0.34 O ATOM 718 CB VAL A 723 11.987 4.484 -1.253 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.765 3.606 -1.038 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.235 4.701 -2.732 1.00 0.62 C ATOM 0 H VAL A 723 10.923 5.283 1.265 1.00 0.36 H new ATOM 0 HA VAL A 723 12.694 6.452 -0.777 1.00 0.39 H new ATOM 0 HB VAL A 723 12.851 3.970 -0.832 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.899 2.661 -1.564 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.638 3.414 0.027 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.880 4.113 -1.423 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.341 3.736 -3.228 1.00 0.62 H new ATOM 0 HG22 VAL A 723 11.394 5.242 -3.166 1.00 0.62 H new ATOM 0 HG23 VAL A 723 13.148 5.281 -2.867 1.00 0.62 H new ATOM 730 N LYS A 724 10.574 7.190 -2.098 1.00 0.45 N ATOM 731 CA LYS A 724 9.363 7.769 -2.658 1.00 0.52 C ATOM 732 C LYS A 724 8.341 6.664 -2.927 1.00 0.44 C ATOM 733 O LYS A 724 8.708 5.508 -3.143 1.00 0.37 O ATOM 734 CB LYS A 724 9.667 8.511 -3.969 1.00 0.67 C ATOM 735 CG LYS A 724 10.450 9.812 -3.812 1.00 1.41 C ATOM 736 CD LYS A 724 11.923 9.583 -3.497 1.00 1.48 C ATOM 737 CE LYS A 724 12.605 8.711 -4.543 1.00 0.91 C ATOM 738 NZ LYS A 724 12.417 9.220 -5.929 1.00 1.46 N ATOM 0 H LYS A 724 11.418 7.350 -2.649 1.00 0.45 H new ATOM 0 HA LYS A 724 8.959 8.481 -1.939 1.00 0.52 H new ATOM 0 HB2 LYS A 724 10.228 7.844 -4.624 1.00 0.67 H new ATOM 0 HB3 LYS A 724 8.725 8.731 -4.471 1.00 0.67 H new ATOM 0 HG2 LYS A 724 10.366 10.394 -4.730 1.00 1.41 H new ATOM 0 HG3 LYS A 724 10.002 10.406 -3.016 1.00 1.41 H new ATOM 0 HD2 LYS A 724 12.434 10.544 -3.438 1.00 1.48 H new ATOM 0 HD3 LYS A 724 12.015 9.113 -2.518 1.00 1.48 H new ATOM 0 HE2 LYS A 724 13.671 8.654 -4.323 1.00 0.91 H new ATOM 0 HE3 LYS A 724 12.211 7.697 -4.477 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 12.997 8.660 -6.586 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 11.415 9.139 -6.196 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 12.708 10.218 -5.975 1.00 1.46 H new ATOM 752 N PRO A 725 7.036 7.038 -2.914 1.00 0.52 N ATOM 753 CA PRO A 725 5.873 6.146 -3.124 1.00 0.54 C ATOM 754 C PRO A 725 6.066 5.104 -4.225 1.00 0.49 C ATOM 755 O PRO A 725 5.403 4.073 -4.243 1.00 0.54 O ATOM 756 CB PRO A 725 4.733 7.109 -3.501 1.00 0.68 C ATOM 757 CG PRO A 725 5.334 8.479 -3.519 1.00 0.83 C ATOM 758 CD PRO A 725 6.567 8.408 -2.671 1.00 0.67 C ATOM 0 HA PRO A 725 5.687 5.552 -2.229 1.00 0.54 H new ATOM 0 HB2 PRO A 725 4.314 6.855 -4.475 1.00 0.68 H new ATOM 0 HB3 PRO A 725 3.919 7.050 -2.779 1.00 0.68 H new ATOM 0 HG2 PRO A 725 5.579 8.783 -4.537 1.00 0.83 H new ATOM 0 HG3 PRO A 725 4.634 9.216 -3.126 1.00 0.83 H new ATOM 0 HD2 PRO A 725 7.308 9.150 -2.968 1.00 0.67 H new ATOM 0 HD3 PRO A 725 6.347 8.581 -1.618 1.00 0.67 H new ATOM 766 N GLU A 726 6.968 5.403 -5.134 1.00 0.44 N ATOM 767 CA GLU A 726 7.164 4.652 -6.359 1.00 0.48 C ATOM 768 C GLU A 726 7.530 3.189 -6.135 1.00 0.51 C ATOM 769 O GLU A 726 7.493 2.403 -7.081 1.00 0.62 O ATOM 770 CB GLU A 726 8.305 5.286 -7.140 1.00 0.45 C ATOM 771 CG GLU A 726 8.376 6.794 -7.013 1.00 0.67 C ATOM 772 CD GLU A 726 9.592 7.385 -7.693 1.00 1.53 C ATOM 773 OE1 GLU A 726 10.239 8.274 -7.107 1.00 2.38 O ATOM 774 OE2 GLU A 726 9.915 6.946 -8.816 1.00 1.89 O ATOM 0 H GLU A 726 7.603 6.196 -5.041 1.00 0.44 H new ATOM 0 HA GLU A 726 6.213 4.680 -6.891 1.00 0.48 H new ATOM 0 HB2 GLU A 726 9.247 4.858 -6.798 1.00 0.45 H new ATOM 0 HB3 GLU A 726 8.200 5.025 -8.193 1.00 0.45 H new ATOM 0 HG2 GLU A 726 7.476 7.233 -7.444 1.00 0.67 H new ATOM 0 HG3 GLU A 726 8.389 7.065 -5.957 1.00 0.67 H new ATOM 781 N ASN A 727 7.863 2.800 -4.914 1.00 0.45 N ATOM 782 CA ASN A 727 8.457 1.474 -4.729 1.00 0.48 C ATOM 783 C ASN A 727 7.437 0.354 -4.675 1.00 0.48 C ATOM 784 O ASN A 727 7.725 -0.753 -5.134 1.00 0.52 O ATOM 785 CB ASN A 727 9.196 1.396 -3.402 1.00 0.51 C ATOM 786 CG ASN A 727 10.674 1.108 -3.549 1.00 1.11 C ATOM 787 OD1 ASN A 727 11.268 0.410 -2.726 1.00 1.74 O ATOM 788 ND2 ASN A 727 11.288 1.662 -4.579 1.00 1.84 N ATOM 0 H ASN A 727 7.742 3.352 -4.065 1.00 0.45 H new ATOM 0 HA ASN A 727 9.111 1.347 -5.592 1.00 0.48 H new ATOM 0 HB2 ASN A 727 9.069 2.338 -2.869 1.00 0.51 H new ATOM 0 HB3 ASN A 727 8.742 0.618 -2.788 1.00 0.51 H new ATOM 0 HD21 ASN A 727 12.289 1.518 -4.714 1.00 1.84 H new ATOM 0 HD22 ASN A 727 10.761 2.234 -5.239 1.00 1.84 H new ATOM 795 N LEU A 728 6.244 0.610 -4.167 1.00 0.48 N ATOM 796 CA LEU A 728 5.230 -0.429 -4.159 1.00 0.47 C ATOM 797 C LEU A 728 3.858 0.151 -4.392 1.00 0.47 C ATOM 798 O LEU A 728 3.482 1.116 -3.751 1.00 0.63 O ATOM 799 CB LEU A 728 5.164 -1.230 -2.847 1.00 0.70 C ATOM 800 CG LEU A 728 6.301 -1.181 -1.806 1.00 1.26 C ATOM 801 CD1 LEU A 728 7.657 -1.583 -2.357 1.00 1.83 C ATOM 802 CD2 LEU A 728 6.359 0.168 -1.107 1.00 1.87 C ATOM 0 H LEU A 728 5.958 1.503 -3.765 1.00 0.48 H new ATOM 0 HA LEU A 728 5.526 -1.102 -4.964 1.00 0.47 H new ATOM 0 HB2 LEU A 728 4.254 -0.920 -2.334 1.00 0.70 H new ATOM 0 HB3 LEU A 728 5.034 -2.276 -3.123 1.00 0.70 H new ATOM 0 HG LEU A 728 6.052 -1.939 -1.064 1.00 1.26 H new ATOM 0 HD11 LEU A 728 8.404 -1.523 -1.565 1.00 1.83 H new ATOM 0 HD12 LEU A 728 7.608 -2.605 -2.733 1.00 1.83 H new ATOM 0 HD13 LEU A 728 7.934 -0.910 -3.169 1.00 1.83 H new ATOM 0 HD21 LEU A 728 7.172 0.167 -0.380 1.00 1.87 H new ATOM 0 HD22 LEU A 728 6.532 0.952 -1.844 1.00 1.87 H new ATOM 0 HD23 LEU A 728 5.415 0.353 -0.595 1.00 1.87 H new ATOM 814 N ARG A 729 3.101 -0.457 -5.295 1.00 0.36 N ATOM 815 CA ARG A 729 1.699 -0.107 -5.446 1.00 0.41 C ATOM 816 C ARG A 729 0.882 -1.327 -5.867 1.00 0.32 C ATOM 817 O ARG A 729 1.122 -1.918 -6.914 1.00 0.34 O ATOM 818 CB ARG A 729 1.541 1.035 -6.468 1.00 0.56 C ATOM 819 CG ARG A 729 1.820 0.653 -7.924 1.00 0.70 C ATOM 820 CD ARG A 729 3.245 0.150 -8.144 1.00 0.54 C ATOM 821 NE ARG A 729 3.495 -0.173 -9.549 1.00 1.21 N ATOM 822 CZ ARG A 729 4.564 0.237 -10.230 1.00 1.75 C ATOM 823 NH1 ARG A 729 5.442 1.059 -9.668 1.00 2.18 N ATOM 824 NH2 ARG A 729 4.745 -0.162 -11.481 1.00 2.58 N ATOM 0 H ARG A 729 3.431 -1.187 -5.927 1.00 0.36 H new ATOM 0 HA ARG A 729 1.321 0.237 -4.483 1.00 0.41 H new ATOM 0 HB2 ARG A 729 0.525 1.423 -6.400 1.00 0.56 H new ATOM 0 HB3 ARG A 729 2.212 1.847 -6.188 1.00 0.56 H new ATOM 0 HG2 ARG A 729 1.116 -0.119 -8.233 1.00 0.70 H new ATOM 0 HG3 ARG A 729 1.643 1.519 -8.562 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.954 0.909 -7.814 1.00 0.54 H new ATOM 0 HD3 ARG A 729 3.417 -0.735 -7.531 1.00 0.54 H new ATOM 0 HE ARG A 729 2.808 -0.748 -10.037 1.00 1.21 H new ATOM 0 HH11 ARG A 729 5.300 1.380 -8.710 1.00 2.18 H new ATOM 0 HH12 ARG A 729 6.259 1.370 -10.194 1.00 2.18 H new ATOM 0 HH21 ARG A 729 4.066 -0.783 -11.922 1.00 2.58 H new ATOM 0 HH22 ARG A 729 5.563 0.152 -12.003 1.00 2.58 H new ATOM 838 N LEU A 730 0.000 -1.757 -4.986 1.00 0.32 N ATOM 839 CA LEU A 730 -1.070 -2.685 -5.297 1.00 0.34 C ATOM 840 C LEU A 730 -2.212 -2.452 -4.327 1.00 0.42 C ATOM 841 O LEU A 730 -1.951 -2.142 -3.173 1.00 0.73 O ATOM 842 CB LEU A 730 -0.604 -4.133 -5.213 1.00 0.37 C ATOM 843 CG LEU A 730 0.002 -4.706 -6.493 1.00 0.53 C ATOM 844 CD1 LEU A 730 0.109 -6.215 -6.402 1.00 1.23 C ATOM 845 CD2 LEU A 730 -0.810 -4.304 -7.717 1.00 1.22 C ATOM 0 H LEU A 730 0.008 -1.463 -4.009 1.00 0.32 H new ATOM 0 HA LEU A 730 -1.397 -2.508 -6.322 1.00 0.34 H new ATOM 0 HB2 LEU A 730 0.134 -4.213 -4.415 1.00 0.37 H new ATOM 0 HB3 LEU A 730 -1.453 -4.753 -4.925 1.00 0.37 H new ATOM 0 HG LEU A 730 1.004 -4.290 -6.603 1.00 0.53 H new ATOM 0 HD11 LEU A 730 0.543 -6.605 -7.323 1.00 1.23 H new ATOM 0 HD12 LEU A 730 0.745 -6.484 -5.559 1.00 1.23 H new ATOM 0 HD13 LEU A 730 -0.884 -6.642 -6.259 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.353 -4.727 -8.612 1.00 1.22 H new ATOM 0 HD22 LEU A 730 -1.828 -4.679 -7.617 1.00 1.22 H new ATOM 0 HD23 LEU A 730 -0.830 -3.217 -7.799 1.00 1.22 H new ATOM 857 N ALA A 731 -3.459 -2.541 -4.728 1.00 0.34 N ATOM 858 CA ALA A 731 -4.462 -2.689 -3.715 1.00 0.37 C ATOM 859 C ALA A 731 -5.224 -3.983 -3.920 1.00 0.37 C ATOM 860 O ALA A 731 -5.972 -4.148 -4.882 1.00 0.50 O ATOM 861 CB ALA A 731 -5.403 -1.504 -3.712 1.00 0.46 C ATOM 0 H ALA A 731 -3.786 -2.515 -5.694 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.970 -2.727 -2.743 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -6.155 -1.639 -2.935 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.839 -0.592 -3.517 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.893 -1.426 -4.682 1.00 0.46 H new ATOM 867 N GLU A 732 -5.097 -4.860 -2.959 1.00 0.39 N ATOM 868 CA GLU A 732 -5.768 -6.127 -2.992 1.00 0.46 C ATOM 869 C GLU A 732 -6.940 -6.160 -2.037 1.00 0.57 C ATOM 870 O GLU A 732 -6.763 -6.098 -0.837 1.00 0.66 O ATOM 871 CB GLU A 732 -4.737 -7.197 -2.614 1.00 0.66 C ATOM 872 CG GLU A 732 -5.319 -8.476 -2.048 1.00 0.76 C ATOM 873 CD GLU A 732 -4.305 -9.600 -1.978 1.00 0.78 C ATOM 874 OE1 GLU A 732 -3.829 -10.047 -3.041 1.00 1.02 O ATOM 875 OE2 GLU A 732 -3.984 -10.048 -0.858 1.00 1.19 O ATOM 0 H GLU A 732 -4.522 -4.712 -2.129 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.172 -6.308 -3.988 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -4.150 -7.443 -3.499 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -4.048 -6.774 -1.882 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -5.709 -8.282 -1.049 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -6.162 -8.790 -2.664 1.00 0.76 H new ATOM 882 N VAL A 733 -8.120 -6.368 -2.574 1.00 0.69 N ATOM 883 CA VAL A 733 -9.316 -6.449 -1.761 1.00 0.90 C ATOM 884 C VAL A 733 -9.636 -7.899 -1.510 1.00 1.17 C ATOM 885 O VAL A 733 -9.528 -8.712 -2.428 1.00 1.35 O ATOM 886 CB VAL A 733 -10.551 -5.803 -2.431 1.00 1.19 C ATOM 887 CG1 VAL A 733 -11.053 -4.626 -1.619 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.247 -5.376 -3.859 1.00 1.64 C ATOM 0 H VAL A 733 -8.280 -6.485 -3.575 1.00 0.69 H new ATOM 0 HA VAL A 733 -9.110 -5.905 -0.840 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.337 -6.557 -2.467 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -11.922 -4.189 -2.111 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -11.333 -4.965 -0.622 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -10.266 -3.876 -1.540 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -11.136 -4.926 -4.301 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -9.435 -4.649 -3.856 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -9.952 -6.247 -4.444 1.00 1.64 H new ATOM 898 N ILE A 734 -10.008 -8.245 -0.290 1.00 1.30 N ATOM 899 CA ILE A 734 -10.452 -9.601 -0.044 1.00 1.65 C ATOM 900 C ILE A 734 -11.858 -9.633 0.543 1.00 1.93 C ATOM 901 O ILE A 734 -12.095 -9.253 1.688 1.00 2.17 O ATOM 902 CB ILE A 734 -9.471 -10.373 0.870 1.00 1.81 C ATOM 903 CG1 ILE A 734 -9.183 -9.591 2.160 1.00 1.91 C ATOM 904 CG2 ILE A 734 -8.179 -10.673 0.124 1.00 2.43 C ATOM 905 CD1 ILE A 734 -8.246 -10.303 3.114 1.00 2.42 C ATOM 0 H ILE A 734 -10.012 -7.627 0.521 1.00 1.30 H new ATOM 0 HA ILE A 734 -10.474 -10.101 -1.012 1.00 1.65 H new ATOM 0 HB ILE A 734 -9.939 -11.317 1.150 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -8.753 -8.624 1.899 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -10.125 -9.394 2.671 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -7.498 -11.216 0.779 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -8.399 -11.280 -0.755 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -7.713 -9.738 -0.188 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -8.092 -9.687 4.000 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -8.682 -11.258 3.407 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -7.289 -10.477 2.622 1.00 2.42 H new ATOM 917 N LYS A 735 -12.750 -10.167 -0.272 1.00 2.29 N ATOM 918 CA LYS A 735 -14.185 -10.277 -0.023 1.00 2.61 C ATOM 919 C LYS A 735 -14.819 -10.523 -1.390 1.00 2.77 C ATOM 920 O LYS A 735 -14.168 -11.112 -2.253 1.00 2.76 O ATOM 921 CB LYS A 735 -14.758 -9.011 0.641 1.00 2.76 C ATOM 922 CG LYS A 735 -14.685 -7.766 -0.224 1.00 3.27 C ATOM 923 CD LYS A 735 -14.452 -6.512 0.598 1.00 3.69 C ATOM 924 CE LYS A 735 -13.107 -6.570 1.292 1.00 3.70 C ATOM 925 NZ LYS A 735 -13.233 -6.970 2.720 1.00 4.16 N ATOM 0 H LYS A 735 -12.483 -10.558 -1.175 1.00 2.29 H new ATOM 0 HA LYS A 735 -14.400 -11.086 0.675 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -15.799 -9.194 0.907 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -14.219 -8.826 1.570 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -13.880 -7.877 -0.951 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -15.612 -7.662 -0.788 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -14.497 -5.635 -0.047 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -15.245 -6.404 1.338 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -12.461 -7.278 0.773 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -12.625 -5.594 1.230 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -12.601 -6.384 3.302 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -14.216 -6.835 3.033 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -12.971 -7.971 2.825 1.00 4.16 H new ATOM 939 N ASN A 736 -16.064 -10.102 -1.596 1.00 3.04 N ATOM 940 CA ASN A 736 -16.687 -10.201 -2.920 1.00 3.32 C ATOM 941 C ASN A 736 -15.810 -9.514 -3.980 1.00 3.14 C ATOM 942 O ASN A 736 -15.675 -10.014 -5.098 1.00 3.36 O ATOM 943 CB ASN A 736 -18.085 -9.578 -2.892 1.00 3.66 C ATOM 944 CG ASN A 736 -18.839 -9.731 -4.204 1.00 4.18 C ATOM 945 OD1 ASN A 736 -19.615 -8.853 -4.583 1.00 4.64 O ATOM 946 ND2 ASN A 736 -18.647 -10.852 -4.889 1.00 4.60 N ATOM 0 H ASN A 736 -16.658 -9.693 -0.875 1.00 3.04 H new ATOM 0 HA ASN A 736 -16.781 -11.254 -3.185 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -18.665 -10.039 -2.092 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -17.998 -8.518 -2.653 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -19.151 -11.009 -5.762 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -17.996 -11.556 -4.542 1.00 4.60 H new ATOM 953 N ARG A 737 -15.205 -8.377 -3.633 1.00 2.79 N ATOM 954 CA ARG A 737 -14.120 -7.819 -4.443 1.00 2.61 C ATOM 955 C ARG A 737 -12.824 -8.548 -4.145 1.00 2.47 C ATOM 956 O ARG A 737 -12.161 -8.256 -3.157 1.00 3.05 O ATOM 957 CB ARG A 737 -13.934 -6.321 -4.182 1.00 2.49 C ATOM 958 CG ARG A 737 -14.404 -5.894 -2.817 1.00 2.59 C ATOM 959 CD ARG A 737 -14.357 -4.392 -2.650 1.00 3.00 C ATOM 960 NE ARG A 737 -15.059 -3.688 -3.725 1.00 3.54 N ATOM 961 CZ ARG A 737 -15.722 -2.543 -3.557 1.00 4.23 C ATOM 962 NH1 ARG A 737 -15.792 -1.985 -2.357 1.00 4.51 N ATOM 963 NH2 ARG A 737 -16.322 -1.962 -4.588 1.00 4.95 N ATOM 0 H ARG A 737 -15.444 -7.829 -2.806 1.00 2.79 H new ATOM 0 HA ARG A 737 -14.388 -7.951 -5.491 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -12.879 -6.068 -4.292 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -14.478 -5.757 -4.939 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -15.423 -6.245 -2.657 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -13.782 -6.364 -2.055 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -14.801 -4.122 -1.692 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -13.318 -4.065 -2.623 1.00 3.00 H new ATOM 0 HE ARG A 737 -15.040 -4.098 -4.659 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -15.338 -2.431 -1.560 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -16.300 -1.109 -2.231 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -16.277 -2.391 -5.512 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -16.828 -1.086 -4.456 1.00 4.95 H new ATOM 977 N PHE A 738 -12.487 -9.524 -4.972 1.00 2.24 N ATOM 978 CA PHE A 738 -11.214 -10.210 -4.838 1.00 2.27 C ATOM 979 C PHE A 738 -10.275 -9.754 -5.943 1.00 2.12 C ATOM 980 O PHE A 738 -10.301 -10.276 -7.059 1.00 2.16 O ATOM 981 CB PHE A 738 -11.393 -11.728 -4.876 1.00 2.70 C ATOM 982 CG PHE A 738 -10.129 -12.477 -4.562 1.00 3.11 C ATOM 983 CD1 PHE A 738 -9.382 -13.051 -5.577 1.00 3.38 C ATOM 984 CD2 PHE A 738 -9.691 -12.611 -3.254 1.00 3.68 C ATOM 985 CE1 PHE A 738 -8.222 -13.745 -5.294 1.00 4.26 C ATOM 986 CE2 PHE A 738 -8.532 -13.305 -2.966 1.00 4.52 C ATOM 987 CZ PHE A 738 -7.787 -13.850 -3.974 1.00 4.83 C ATOM 0 H PHE A 738 -13.073 -9.857 -5.738 1.00 2.24 H new ATOM 0 HA PHE A 738 -10.783 -9.957 -3.869 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -12.165 -12.015 -4.163 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -11.747 -12.022 -5.864 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -9.710 -12.955 -6.601 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -10.262 -12.168 -2.451 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -7.655 -14.204 -6.091 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -8.213 -13.417 -1.940 1.00 4.52 H new ATOM 0 HZ PHE A 738 -6.863 -14.361 -3.748 1.00 4.83 H new ATOM 997 N HIS A 739 -9.466 -8.758 -5.629 1.00 2.05 N ATOM 998 CA HIS A 739 -8.534 -8.180 -6.590 1.00 2.04 C ATOM 999 C HIS A 739 -7.246 -7.823 -5.873 1.00 1.03 C ATOM 1000 O HIS A 739 -7.134 -8.065 -4.680 1.00 1.01 O ATOM 1001 CB HIS A 739 -9.140 -6.943 -7.271 1.00 2.97 C ATOM 1002 CG HIS A 739 -10.264 -7.264 -8.215 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -10.062 -7.800 -9.467 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -11.605 -7.144 -8.074 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -11.226 -7.994 -10.055 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -12.182 -7.607 -9.233 1.00 5.71 N ATOM 0 H HIS A 739 -9.434 -8.326 -4.706 1.00 2.05 H new ATOM 0 HA HIS A 739 -8.325 -8.911 -7.371 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -9.505 -6.259 -6.505 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -8.356 -6.419 -7.818 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -12.125 -6.756 -7.211 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -11.372 -8.402 -11.044 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -13.183 -7.645 -9.425 1.00 5.71 H new ATOM 1015 N ARG A 740 -6.278 -7.254 -6.583 1.00 0.94 N ATOM 1016 CA ARG A 740 -4.976 -6.975 -5.981 1.00 1.03 C ATOM 1017 C ARG A 740 -4.353 -5.676 -6.494 1.00 0.82 C ATOM 1018 O ARG A 740 -3.262 -5.320 -6.080 1.00 1.05 O ATOM 1019 CB ARG A 740 -4.022 -8.157 -6.206 1.00 2.21 C ATOM 1020 CG ARG A 740 -3.895 -8.597 -7.657 1.00 3.05 C ATOM 1021 CD ARG A 740 -3.060 -9.862 -7.782 1.00 4.00 C ATOM 1022 NE ARG A 740 -3.035 -10.370 -9.154 1.00 4.84 N ATOM 1023 CZ ARG A 740 -2.662 -11.606 -9.489 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -2.257 -12.461 -8.557 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -2.687 -11.983 -10.759 1.00 6.71 N ATOM 0 H ARG A 740 -6.365 -6.980 -7.562 1.00 0.94 H new ATOM 0 HA ARG A 740 -5.141 -6.842 -4.912 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -3.034 -7.886 -5.834 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -4.366 -9.003 -5.611 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -4.887 -8.771 -8.074 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -3.439 -7.799 -8.242 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -2.041 -9.658 -7.453 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -3.462 -10.628 -7.119 1.00 4.00 H new ATOM 0 HE ARG A 740 -3.321 -9.738 -9.902 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -2.230 -12.174 -7.579 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -1.973 -13.405 -8.820 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -2.991 -11.328 -11.479 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -2.402 -12.928 -11.016 1.00 6.71 H new ATOM 1039 N VAL A 741 -5.128 -4.899 -7.251 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.599 -3.754 -8.006 1.00 0.46 C ATOM 1041 C VAL A 741 -4.871 -2.437 -7.275 1.00 0.43 C ATOM 1042 O VAL A 741 -5.944 -2.237 -6.734 1.00 0.46 O ATOM 1043 CB VAL A 741 -5.225 -3.680 -9.424 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -6.740 -3.745 -9.357 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -4.770 -2.428 -10.161 1.00 1.06 C ATOM 0 H VAL A 741 -6.132 -5.040 -7.360 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.523 -3.902 -8.095 1.00 0.46 H new ATOM 0 HB VAL A 741 -4.875 -4.546 -9.985 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -7.151 -3.691 -10.365 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -7.044 -4.682 -8.891 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -7.114 -2.908 -8.767 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -5.225 -2.403 -11.151 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -5.075 -1.545 -9.600 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -3.685 -2.438 -10.260 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.879 -1.553 -7.204 1.00 0.42 N ATOM 1056 CA PHE A 742 -4.101 -0.237 -6.622 1.00 0.42 C ATOM 1057 C PHE A 742 -4.959 0.588 -7.546 1.00 0.45 C ATOM 1058 O PHE A 742 -4.541 0.960 -8.643 1.00 0.55 O ATOM 1059 CB PHE A 742 -2.794 0.498 -6.343 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.946 1.578 -5.317 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -2.698 1.275 -4.002 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -3.332 2.872 -5.647 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -2.823 2.231 -3.017 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -3.461 3.836 -4.667 1.00 0.75 C ATOM 1065 CZ PHE A 742 -3.205 3.515 -3.350 1.00 1.13 C ATOM 0 H PHE A 742 -2.930 -1.722 -7.537 1.00 0.42 H new ATOM 0 HA PHE A 742 -4.607 -0.381 -5.667 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -2.045 -0.217 -6.003 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -2.422 0.933 -7.270 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -2.400 0.272 -3.735 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -3.532 3.125 -6.678 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -2.622 1.976 -1.987 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.762 4.839 -4.931 1.00 0.75 H new ATOM 0 HZ PHE A 742 -3.303 4.267 -2.581 1.00 1.13 H new ATOM 1075 N LEU A 743 -6.160 0.856 -7.096 1.00 0.48 N ATOM 1076 CA LEU A 743 -7.126 1.548 -7.904 1.00 0.61 C ATOM 1077 C LEU A 743 -7.018 3.059 -7.705 1.00 0.55 C ATOM 1078 O LEU A 743 -6.528 3.519 -6.669 1.00 0.48 O ATOM 1079 CB LEU A 743 -8.533 1.071 -7.551 1.00 0.78 C ATOM 1080 CG LEU A 743 -8.685 -0.428 -7.299 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -9.940 -0.705 -6.485 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -8.743 -1.173 -8.621 1.00 1.67 C ATOM 0 H LEU A 743 -6.491 0.602 -6.165 1.00 0.48 H new ATOM 0 HA LEU A 743 -6.924 1.327 -8.952 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -8.864 1.605 -6.660 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -9.206 1.354 -8.361 1.00 0.78 H new ATOM 0 HG LEU A 743 -7.821 -0.777 -6.733 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -10.034 -1.777 -6.314 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -9.873 -0.189 -5.527 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -10.813 -0.347 -7.030 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -8.851 -2.241 -8.432 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -9.595 -0.819 -9.201 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -7.824 -0.995 -9.180 1.00 1.67 H new ATOM 1094 N PRO A 744 -7.466 3.841 -8.705 1.00 0.66 N ATOM 1095 CA PRO A 744 -7.561 5.306 -8.619 1.00 0.67 C ATOM 1096 C PRO A 744 -8.318 5.771 -7.376 1.00 0.62 C ATOM 1097 O PRO A 744 -8.949 4.952 -6.694 1.00 0.64 O ATOM 1098 CB PRO A 744 -8.325 5.694 -9.884 1.00 0.80 C ATOM 1099 CG PRO A 744 -8.037 4.598 -10.845 1.00 1.06 C ATOM 1100 CD PRO A 744 -7.914 3.348 -10.021 1.00 0.83 C ATOM 0 HA PRO A 744 -6.577 5.769 -8.542 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -9.394 5.781 -9.691 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -7.991 6.657 -10.269 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -8.836 4.504 -11.580 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -7.118 4.794 -11.397 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -8.865 2.821 -9.949 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -7.196 2.652 -10.454 1.00 0.83 H new ATOM 1108 N SER A 745 -8.239 7.074 -7.082 1.00 0.64 N ATOM 1109 CA SER A 745 -8.876 7.659 -5.899 1.00 0.67 C ATOM 1110 C SER A 745 -10.234 7.018 -5.617 1.00 0.73 C ATOM 1111 O SER A 745 -11.135 7.017 -6.456 1.00 0.78 O ATOM 1112 CB SER A 745 -9.028 9.166 -6.089 1.00 0.74 C ATOM 1113 OG SER A 745 -7.771 9.765 -6.339 1.00 1.20 O ATOM 0 H SER A 745 -7.734 7.749 -7.656 1.00 0.64 H new ATOM 0 HA SER A 745 -8.237 7.465 -5.037 1.00 0.67 H new ATOM 0 HB2 SER A 745 -9.704 9.367 -6.920 1.00 0.74 H new ATOM 0 HB3 SER A 745 -9.477 9.607 -5.199 1.00 0.74 H new ATOM 0 HG SER A 745 -7.887 10.731 -6.460 1.00 1.20 H new ATOM 1119 N HIS A 746 -10.354 6.465 -4.420 1.00 0.81 N ATOM 1120 CA HIS A 746 -11.407 5.510 -4.107 1.00 0.91 C ATOM 1121 C HIS A 746 -12.229 5.943 -2.903 1.00 0.96 C ATOM 1122 O HIS A 746 -11.714 6.568 -1.992 1.00 1.15 O ATOM 1123 CB HIS A 746 -10.779 4.132 -3.846 1.00 1.10 C ATOM 1124 CG HIS A 746 -9.530 4.161 -3.001 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -9.413 4.858 -1.808 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -8.323 3.577 -3.206 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -8.192 4.698 -1.328 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -7.513 3.925 -2.154 1.00 3.89 N ATOM 0 H HIS A 746 -9.727 6.664 -3.640 1.00 0.81 H new ATOM 0 HA HIS A 746 -12.083 5.460 -4.960 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -11.518 3.497 -3.357 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -10.543 3.667 -4.803 1.00 1.10 H new ATOM 0 HD1 HIS A 746 -10.152 5.407 -1.370 1.00 2.92 H new ATOM 0 HD2 HIS A 746 -8.049 2.953 -4.044 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -7.813 5.128 -0.413 1.00 3.88 H new ATOM 1137 N SER A 747 -13.509 5.595 -2.922 1.00 0.93 N ATOM 1138 CA SER A 747 -14.427 5.885 -1.822 1.00 1.06 C ATOM 1139 C SER A 747 -14.311 4.830 -0.714 1.00 1.39 C ATOM 1140 O SER A 747 -14.935 4.936 0.338 1.00 1.67 O ATOM 1141 CB SER A 747 -15.857 5.934 -2.360 1.00 1.10 C ATOM 1142 OG SER A 747 -15.952 6.819 -3.467 1.00 1.34 O ATOM 0 H SER A 747 -13.944 5.102 -3.702 1.00 0.93 H new ATOM 0 HA SER A 747 -14.165 6.851 -1.390 1.00 1.06 H new ATOM 0 HB2 SER A 747 -16.171 4.934 -2.660 1.00 1.10 H new ATOM 0 HB3 SER A 747 -16.536 6.258 -1.571 1.00 1.10 H new ATOM 0 HG SER A 747 -16.875 6.833 -3.796 1.00 1.34 H new ATOM 1148 N LEU A 748 -13.515 3.803 -0.986 1.00 1.54 N ATOM 1149 CA LEU A 748 -13.372 2.636 -0.107 1.00 1.97 C ATOM 1150 C LEU A 748 -12.623 2.942 1.200 1.00 1.72 C ATOM 1151 O LEU A 748 -12.203 2.027 1.890 1.00 2.07 O ATOM 1152 CB LEU A 748 -12.645 1.498 -0.843 1.00 2.49 C ATOM 1153 CG LEU A 748 -13.441 0.776 -1.943 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -13.674 1.679 -3.148 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -12.715 -0.494 -2.366 1.00 3.52 C ATOM 0 H LEU A 748 -12.943 3.751 -1.829 1.00 1.54 H new ATOM 0 HA LEU A 748 -14.386 2.337 0.160 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -11.738 1.905 -1.289 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -12.334 0.758 -0.105 1.00 2.49 H new ATOM 0 HG LEU A 748 -14.416 0.512 -1.534 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -14.239 1.136 -3.906 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -14.235 2.561 -2.839 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -12.714 1.987 -3.563 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -13.287 -0.998 -3.145 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -11.727 -0.238 -2.749 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -12.610 -1.157 -1.507 1.00 3.52 H new ATOM 1167 N ASP A 749 -12.434 4.213 1.524 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.601 4.626 2.667 1.00 0.97 C ATOM 1169 C ASP A 749 -12.274 4.413 4.020 1.00 0.91 C ATOM 1170 O ASP A 749 -12.028 5.146 4.974 1.00 1.13 O ATOM 1171 CB ASP A 749 -11.137 6.061 2.480 1.00 0.85 C ATOM 1172 CG ASP A 749 -10.213 6.132 1.297 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -9.145 5.484 1.337 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -10.556 6.796 0.310 1.00 1.85 O ATOM 0 H ASP A 749 -12.848 4.991 1.011 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.728 3.973 2.682 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -11.995 6.716 2.326 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -10.626 6.410 3.377 1.00 0.85 H new ATOM 1179 N THR A 750 -13.117 3.402 4.081 1.00 1.03 N ATOM 1180 CA THR A 750 -13.703 2.948 5.325 1.00 1.16 C ATOM 1181 C THR A 750 -12.675 2.095 6.082 1.00 1.58 C ATOM 1182 O THR A 750 -11.651 1.719 5.517 1.00 2.13 O ATOM 1183 CB THR A 750 -14.986 2.142 5.039 1.00 1.60 C ATOM 1184 OG1 THR A 750 -15.764 2.842 4.056 1.00 2.42 O ATOM 1185 CG2 THR A 750 -15.822 1.956 6.297 1.00 2.13 C ATOM 0 H THR A 750 -13.416 2.870 3.264 1.00 1.03 H new ATOM 0 HA THR A 750 -13.974 3.804 5.943 1.00 1.16 H new ATOM 0 HB THR A 750 -14.698 1.156 4.675 1.00 1.60 H new ATOM 0 HG1 THR A 750 -16.582 2.337 3.866 1.00 2.42 H new ATOM 0 HG21 THR A 750 -16.718 1.384 6.057 1.00 2.13 H new ATOM 0 HG22 THR A 750 -15.239 1.420 7.046 1.00 2.13 H new ATOM 0 HG23 THR A 750 -16.109 2.931 6.691 1.00 2.13 H new ATOM 1193 N VAL A 751 -12.943 1.810 7.345 1.00 1.82 N ATOM 1194 CA VAL A 751 -11.980 1.159 8.233 1.00 2.44 C ATOM 1195 C VAL A 751 -11.678 -0.296 7.796 1.00 2.14 C ATOM 1196 O VAL A 751 -12.198 -0.753 6.782 1.00 2.27 O ATOM 1197 CB VAL A 751 -12.505 1.199 9.694 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -13.623 0.190 9.901 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -11.383 1.000 10.709 1.00 4.17 C ATOM 0 H VAL A 751 -13.836 2.022 7.790 1.00 1.82 H new ATOM 0 HA VAL A 751 -11.040 1.708 8.173 1.00 2.44 H new ATOM 0 HB VAL A 751 -12.915 2.195 9.863 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -13.972 0.240 10.933 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -14.449 0.419 9.227 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -13.251 -0.813 9.692 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -11.794 1.035 11.718 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -10.910 0.032 10.543 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -10.642 1.791 10.592 1.00 4.17 H new ATOM 1209 N SER A 752 -10.783 -0.955 8.555 1.00 2.23 N ATOM 1210 CA SER A 752 -10.241 -2.320 8.315 1.00 2.12 C ATOM 1211 C SER A 752 -10.955 -3.189 7.251 1.00 2.30 C ATOM 1212 O SER A 752 -10.274 -3.734 6.383 1.00 2.26 O ATOM 1213 CB SER A 752 -10.181 -3.070 9.643 1.00 2.47 C ATOM 1214 OG SER A 752 -9.462 -2.316 10.605 1.00 2.95 O ATOM 0 H SER A 752 -10.393 -0.534 9.398 1.00 2.23 H new ATOM 0 HA SER A 752 -9.255 -2.150 7.883 1.00 2.12 H new ATOM 0 HB2 SER A 752 -11.191 -3.264 10.004 1.00 2.47 H new ATOM 0 HB3 SER A 752 -9.703 -4.039 9.499 1.00 2.47 H new ATOM 0 HG SER A 752 -9.433 -2.809 11.452 1.00 2.95 H new ATOM 1220 N PRO A 753 -12.301 -3.377 7.307 1.00 2.99 N ATOM 1221 CA PRO A 753 -13.063 -4.085 6.250 1.00 3.72 C ATOM 1222 C PRO A 753 -12.741 -3.632 4.813 1.00 3.48 C ATOM 1223 O PRO A 753 -13.178 -4.257 3.843 1.00 3.96 O ATOM 1224 CB PRO A 753 -14.507 -3.744 6.596 1.00 4.69 C ATOM 1225 CG PRO A 753 -14.509 -3.627 8.077 1.00 4.49 C ATOM 1226 CD PRO A 753 -13.186 -3.010 8.439 1.00 3.44 C ATOM 0 HA PRO A 753 -12.823 -5.148 6.242 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -14.821 -2.814 6.123 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -15.192 -4.521 6.257 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -15.337 -3.006 8.419 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -14.627 -4.604 8.547 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -13.266 -1.929 8.549 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -12.808 -3.400 9.384 1.00 3.44 H new ATOM 1234 N SER A 754 -11.981 -2.554 4.687 1.00 2.99 N ATOM 1235 CA SER A 754 -11.535 -2.043 3.399 1.00 3.13 C ATOM 1236 C SER A 754 -10.416 -2.888 2.801 1.00 2.22 C ATOM 1237 O SER A 754 -9.868 -2.507 1.772 1.00 2.49 O ATOM 1238 CB SER A 754 -11.065 -0.597 3.539 1.00 3.71 C ATOM 1239 OG SER A 754 -10.579 -0.102 2.303 1.00 4.37 O ATOM 0 H SER A 754 -11.654 -2.005 5.482 1.00 2.99 H new ATOM 0 HA SER A 754 -12.388 -2.091 2.722 1.00 3.13 H new ATOM 0 HB2 SER A 754 -11.890 0.026 3.886 1.00 3.71 H new ATOM 0 HB3 SER A 754 -10.281 -0.537 4.293 1.00 3.71 H new ATOM 0 HG SER A 754 -10.295 -0.852 1.739 1.00 4.37 H new ATOM 1245 N ASP A 755 -10.125 -4.029 3.440 1.00 1.48 N ATOM 1246 CA ASP A 755 -8.974 -4.892 3.121 1.00 0.96 C ATOM 1247 C ASP A 755 -8.411 -4.650 1.740 1.00 1.01 C ATOM 1248 O ASP A 755 -9.018 -5.010 0.737 1.00 1.88 O ATOM 1249 CB ASP A 755 -9.359 -6.361 3.212 1.00 1.69 C ATOM 1250 CG ASP A 755 -10.069 -6.719 4.502 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -11.318 -6.756 4.498 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -9.390 -6.965 5.519 1.00 2.95 O ATOM 0 H ASP A 755 -10.692 -4.387 4.208 1.00 1.48 H new ATOM 0 HA ASP A 755 -8.211 -4.638 3.857 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -10.003 -6.613 2.370 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -8.460 -6.971 3.119 1.00 1.69 H new ATOM 1257 N THR A 756 -7.244 -4.042 1.711 1.00 0.93 N ATOM 1258 CA THR A 756 -6.526 -3.807 0.480 1.00 0.99 C ATOM 1259 C THR A 756 -5.032 -3.894 0.723 1.00 0.78 C ATOM 1260 O THR A 756 -4.457 -3.087 1.451 1.00 0.89 O ATOM 1261 CB THR A 756 -6.887 -2.476 -0.201 1.00 1.43 C ATOM 1262 OG1 THR A 756 -7.730 -1.676 0.635 1.00 1.93 O ATOM 1263 CG2 THR A 756 -7.582 -2.759 -1.514 1.00 2.05 C ATOM 0 H THR A 756 -6.767 -3.697 2.544 1.00 0.93 H new ATOM 0 HA THR A 756 -6.834 -4.591 -0.212 1.00 0.99 H new ATOM 0 HB THR A 756 -5.968 -1.918 -0.380 1.00 1.43 H new ATOM 0 HG1 THR A 756 -8.587 -2.132 0.768 1.00 1.93 H new ATOM 0 HG21 THR A 756 -7.839 -1.818 -2.000 1.00 2.05 H new ATOM 0 HG22 THR A 756 -6.918 -3.332 -2.161 1.00 2.05 H new ATOM 0 HG23 THR A 756 -8.491 -3.332 -1.329 1.00 2.05 H new ATOM 1271 N LEU A 757 -4.415 -4.894 0.118 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.035 -5.200 0.361 1.00 0.58 C ATOM 1273 C LEU A 757 -2.223 -4.944 -0.885 1.00 0.44 C ATOM 1274 O LEU A 757 -2.696 -5.137 -1.994 1.00 0.46 O ATOM 1275 CB LEU A 757 -2.928 -6.660 0.809 1.00 0.70 C ATOM 1276 CG LEU A 757 -1.555 -7.310 0.686 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -1.389 -8.363 1.753 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -1.403 -7.924 -0.694 1.00 1.66 C ATOM 0 H LEU A 757 -4.867 -5.512 -0.556 1.00 0.68 H new ATOM 0 HA LEU A 757 -2.638 -4.560 1.149 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -3.242 -6.721 1.851 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -3.637 -7.248 0.227 1.00 0.70 H new ATOM 0 HG LEU A 757 -0.782 -6.553 0.821 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -0.406 -8.824 1.660 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -1.482 -7.902 2.736 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -2.159 -9.125 1.635 1.00 1.53 H new ATOM 0 HD21 LEU A 757 -0.420 -8.388 -0.780 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -2.175 -8.679 -0.843 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -1.504 -7.147 -1.451 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.012 -4.493 -0.717 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.120 -4.456 -1.839 1.00 0.40 C ATOM 1292 C LEU A 758 1.000 -5.424 -1.676 1.00 0.35 C ATOM 1293 O LEU A 758 1.424 -5.797 -0.554 1.00 0.40 O ATOM 1294 CB LEU A 758 0.426 -3.049 -2.160 1.00 0.54 C ATOM 1295 CG LEU A 758 1.526 -2.454 -1.282 1.00 0.60 C ATOM 1296 CD1 LEU A 758 2.855 -3.163 -1.476 1.00 1.19 C ATOM 1297 CD2 LEU A 758 1.684 -0.985 -1.617 1.00 1.13 C ATOM 0 H LEU A 758 -0.627 -4.153 0.164 1.00 0.39 H new ATOM 0 HA LEU A 758 -0.726 -4.752 -2.696 1.00 0.40 H new ATOM 0 HB2 LEU A 758 0.799 -3.069 -3.184 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -0.417 -2.359 -2.141 1.00 0.54 H new ATOM 0 HG LEU A 758 1.233 -2.582 -0.240 1.00 0.60 H new ATOM 0 HD11 LEU A 758 3.608 -2.707 -0.833 1.00 1.19 H new ATOM 0 HD12 LEU A 758 2.746 -4.216 -1.218 1.00 1.19 H new ATOM 0 HD13 LEU A 758 3.166 -3.075 -2.517 1.00 1.19 H new ATOM 0 HD21 LEU A 758 2.467 -0.552 -0.995 1.00 1.13 H new ATOM 0 HD22 LEU A 758 1.955 -0.878 -2.667 1.00 1.13 H new ATOM 0 HD23 LEU A 758 0.744 -0.466 -1.430 1.00 1.13 H new ATOM 1309 N CYS A 759 1.411 -5.886 -2.824 1.00 0.35 N ATOM 1310 CA CYS A 759 2.658 -6.546 -2.950 1.00 0.36 C ATOM 1311 C CYS A 759 3.390 -5.990 -4.174 1.00 0.36 C ATOM 1312 O CYS A 759 3.119 -6.399 -5.300 1.00 0.40 O ATOM 1313 CB CYS A 759 2.400 -8.050 -3.060 1.00 0.46 C ATOM 1314 SG CYS A 759 1.222 -8.521 -4.345 1.00 1.55 S ATOM 0 H CYS A 759 0.882 -5.810 -3.693 1.00 0.35 H new ATOM 0 HA CYS A 759 3.292 -6.375 -2.080 1.00 0.36 H new ATOM 0 HB2 CYS A 759 3.347 -8.554 -3.252 1.00 0.46 H new ATOM 0 HB3 CYS A 759 2.034 -8.413 -2.100 1.00 0.46 H new ATOM 0 HG CYS A 759 1.081 -9.813 -4.352 1.00 1.55 H new ATOM 1320 N PHE A 760 4.323 -5.064 -3.963 1.00 0.36 N ATOM 1321 CA PHE A 760 5.182 -4.619 -5.042 1.00 0.41 C ATOM 1322 C PHE A 760 6.650 -4.495 -4.645 1.00 0.36 C ATOM 1323 O PHE A 760 7.017 -4.437 -3.459 1.00 0.50 O ATOM 1324 CB PHE A 760 4.675 -3.343 -5.697 1.00 0.68 C ATOM 1325 CG PHE A 760 4.434 -3.549 -7.163 1.00 1.79 C ATOM 1326 CD1 PHE A 760 3.501 -4.476 -7.588 1.00 2.53 C ATOM 1327 CD2 PHE A 760 5.142 -2.837 -8.111 1.00 2.16 C ATOM 1328 CE1 PHE A 760 3.275 -4.690 -8.932 1.00 3.60 C ATOM 1329 CE2 PHE A 760 4.922 -3.044 -9.459 1.00 3.23 C ATOM 1330 CZ PHE A 760 3.987 -3.972 -9.871 1.00 3.94 C ATOM 0 H PHE A 760 4.497 -4.616 -3.064 1.00 0.36 H new ATOM 0 HA PHE A 760 5.135 -5.414 -5.786 1.00 0.41 H new ATOM 0 HB2 PHE A 760 3.751 -3.025 -5.214 1.00 0.68 H new ATOM 0 HB3 PHE A 760 5.401 -2.543 -5.553 1.00 0.68 H new ATOM 0 HD1 PHE A 760 2.941 -5.041 -6.857 1.00 2.53 H new ATOM 0 HD2 PHE A 760 5.876 -2.110 -7.795 1.00 2.16 H new ATOM 0 HE1 PHE A 760 2.543 -5.418 -9.249 1.00 3.60 H new ATOM 0 HE2 PHE A 760 5.482 -2.480 -10.190 1.00 3.23 H new ATOM 0 HZ PHE A 760 3.813 -4.136 -10.924 1.00 3.94 H new ATOM 1340 N GLU A 761 7.467 -4.638 -5.663 1.00 0.35 N ATOM 1341 CA GLU A 761 8.892 -4.360 -5.599 1.00 0.40 C ATOM 1342 C GLU A 761 9.291 -3.352 -6.690 1.00 0.61 C ATOM 1343 O GLU A 761 9.107 -3.619 -7.878 1.00 0.79 O ATOM 1344 CB GLU A 761 9.736 -5.647 -5.705 1.00 0.52 C ATOM 1345 CG GLU A 761 9.624 -6.392 -7.031 1.00 1.26 C ATOM 1346 CD GLU A 761 8.403 -7.282 -7.123 1.00 1.49 C ATOM 1347 OE1 GLU A 761 8.527 -8.489 -6.828 1.00 1.96 O ATOM 1348 OE2 GLU A 761 7.320 -6.786 -7.510 1.00 1.88 O ATOM 0 H GLU A 761 7.157 -4.958 -6.581 1.00 0.35 H new ATOM 0 HA GLU A 761 9.099 -3.921 -4.623 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.782 -5.391 -5.538 1.00 0.52 H new ATOM 0 HB3 GLU A 761 9.441 -6.322 -4.902 1.00 0.52 H new ATOM 0 HG2 GLU A 761 9.597 -5.667 -7.845 1.00 1.26 H new ATOM 0 HG3 GLU A 761 10.518 -6.999 -7.174 1.00 1.26 H new ATOM 1355 N LEU A 762 9.802 -2.196 -6.307 1.00 0.89 N ATOM 1356 CA LEU A 762 10.436 -1.287 -7.266 1.00 1.28 C ATOM 1357 C LEU A 762 11.820 -0.934 -6.774 1.00 0.79 C ATOM 1358 O LEU A 762 12.045 -0.892 -5.571 1.00 0.89 O ATOM 1359 CB LEU A 762 9.626 -0.002 -7.427 1.00 2.07 C ATOM 1360 CG LEU A 762 8.854 0.149 -8.741 1.00 3.10 C ATOM 1361 CD1 LEU A 762 9.810 0.205 -9.921 1.00 3.72 C ATOM 1362 CD2 LEU A 762 7.860 -0.982 -8.916 1.00 3.94 C ATOM 0 H LEU A 762 9.794 -1.858 -5.345 1.00 0.89 H new ATOM 0 HA LEU A 762 10.488 -1.789 -8.232 1.00 1.28 H new ATOM 0 HB2 LEU A 762 8.916 0.061 -6.603 1.00 2.07 H new ATOM 0 HB3 LEU A 762 10.304 0.845 -7.329 1.00 2.07 H new ATOM 0 HG LEU A 762 8.300 1.087 -8.702 1.00 3.10 H new ATOM 0 HD11 LEU A 762 9.242 0.312 -10.845 1.00 3.72 H new ATOM 0 HD12 LEU A 762 10.480 1.057 -9.806 1.00 3.72 H new ATOM 0 HD13 LEU A 762 10.395 -0.714 -9.959 1.00 3.72 H new ATOM 0 HD21 LEU A 762 7.324 -0.853 -9.856 1.00 3.94 H new ATOM 0 HD22 LEU A 762 8.391 -1.934 -8.929 1.00 3.94 H new ATOM 0 HD23 LEU A 762 7.150 -0.973 -8.089 1.00 3.94 H new ATOM 1374 N LEU A 763 12.752 -0.660 -7.674 1.00 1.06 N ATOM 1375 CA LEU A 763 14.068 -0.277 -7.239 1.00 0.98 C ATOM 1376 C LEU A 763 14.139 1.232 -7.183 1.00 0.79 C ATOM 1377 O LEU A 763 14.049 1.913 -8.207 1.00 1.44 O ATOM 1378 CB LEU A 763 15.134 -0.833 -8.190 1.00 1.81 C ATOM 1379 CG LEU A 763 16.578 -0.440 -7.866 1.00 2.42 C ATOM 1380 CD1 LEU A 763 17.001 -0.980 -6.510 1.00 2.97 C ATOM 1381 CD2 LEU A 763 17.516 -0.936 -8.953 1.00 3.32 C ATOM 0 H LEU A 763 12.619 -0.697 -8.685 1.00 1.06 H new ATOM 0 HA LEU A 763 14.261 -0.690 -6.249 1.00 0.98 H new ATOM 0 HB2 LEU A 763 15.064 -1.921 -8.190 1.00 1.81 H new ATOM 0 HB3 LEU A 763 14.903 -0.498 -9.201 1.00 1.81 H new ATOM 0 HG LEU A 763 16.633 0.648 -7.826 1.00 2.42 H new ATOM 0 HD11 LEU A 763 18.031 -0.686 -6.306 1.00 2.97 H new ATOM 0 HD12 LEU A 763 16.348 -0.575 -5.737 1.00 2.97 H new ATOM 0 HD13 LEU A 763 16.928 -2.068 -6.513 1.00 2.97 H new ATOM 0 HD21 LEU A 763 18.539 -0.649 -8.709 1.00 3.32 H new ATOM 0 HD22 LEU A 763 17.450 -2.022 -9.023 1.00 3.32 H new ATOM 0 HD23 LEU A 763 17.233 -0.493 -9.908 1.00 3.32 H new ATOM 1393 N SER A 764 14.305 1.731 -5.976 1.00 0.58 N ATOM 1394 CA SER A 764 14.489 3.137 -5.702 1.00 0.61 C ATOM 1395 C SER A 764 14.911 3.249 -4.245 1.00 0.71 C ATOM 1396 O SER A 764 14.491 2.425 -3.434 1.00 1.17 O ATOM 1397 CB SER A 764 13.188 3.929 -5.923 1.00 1.02 C ATOM 1398 OG SER A 764 12.765 3.899 -7.278 1.00 1.67 O ATOM 0 H SER A 764 14.316 1.152 -5.136 1.00 0.58 H new ATOM 0 HA SER A 764 15.239 3.552 -6.375 1.00 0.61 H new ATOM 0 HB2 SER A 764 12.402 3.517 -5.290 1.00 1.02 H new ATOM 0 HB3 SER A 764 13.337 4.963 -5.614 1.00 1.02 H new ATOM 0 HG SER A 764 13.437 3.435 -7.820 1.00 1.67 H new ATOM 1404 N SER A 765 15.730 4.224 -3.900 1.00 0.99 N ATOM 1405 CA SER A 765 16.136 4.392 -2.509 1.00 1.18 C ATOM 1406 C SER A 765 16.472 5.847 -2.214 1.00 1.13 C ATOM 1407 O SER A 765 16.991 6.551 -3.081 1.00 1.21 O ATOM 1408 CB SER A 765 17.343 3.503 -2.189 1.00 1.51 C ATOM 1409 OG SER A 765 17.056 2.129 -2.416 1.00 2.10 O ATOM 0 H SER A 765 16.125 4.905 -4.549 1.00 0.99 H new ATOM 0 HA SER A 765 15.299 4.093 -1.877 1.00 1.18 H new ATOM 0 HB2 SER A 765 18.191 3.805 -2.804 1.00 1.51 H new ATOM 0 HB3 SER A 765 17.636 3.647 -1.149 1.00 1.51 H new ATOM 0 HG SER A 765 16.196 1.902 -2.004 1.00 2.10 H new ATOM 1415 N GLU A 766 16.154 6.282 -0.992 1.00 1.43 N ATOM 1416 CA GLU A 766 16.513 7.614 -0.507 1.00 1.74 C ATOM 1417 C GLU A 766 15.659 8.690 -1.175 1.00 2.11 C ATOM 1418 O GLU A 766 14.644 9.095 -0.577 1.00 2.79 O ATOM 1419 CB GLU A 766 18.007 7.895 -0.727 1.00 2.48 C ATOM 1420 CG GLU A 766 18.929 6.858 -0.101 1.00 3.22 C ATOM 1421 CD GLU A 766 18.848 6.828 1.411 1.00 4.06 C ATOM 1422 OE1 GLU A 766 18.136 5.962 1.962 1.00 4.70 O ATOM 1423 OE2 GLU A 766 19.515 7.666 2.055 1.00 4.47 O ATOM 1424 OXT GLU A 766 16.012 9.140 -2.287 1.00 2.51 O ATOM 0 H GLU A 766 15.641 5.720 -0.313 1.00 1.43 H new ATOM 0 HA GLU A 766 16.316 7.642 0.565 1.00 1.74 H new ATOM 0 HB2 GLU A 766 18.204 7.942 -1.798 1.00 2.48 H new ATOM 0 HB3 GLU A 766 18.247 8.875 -0.315 1.00 2.48 H new ATOM 0 HG2 GLU A 766 18.676 5.872 -0.492 1.00 3.22 H new ATOM 0 HG3 GLU A 766 19.956 7.066 -0.400 1.00 3.22 H new