USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=26 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 709 THR OG1 : rot -158:sc= 2.01 USER MOD Set 1.2: A 711 SER OG : rot 180:sc= 0.998 USER MOD Set 2.1: A 681 LYS NZ :NH3+ 173:sc= 3.28 (180deg=3.1) USER MOD Set 2.2: A 752 SER OG : rot 153:sc= 0.19 USER MOD Single : A 679 LYS NZ :NH3+ 178:sc= 0.506 (180deg=0.503) USER MOD Single : A 680 GLN : amide:sc= -0.44 K(o=-0.44,f=-1.6) USER MOD Single : A 687 TYR OH : rot -104:sc= -1.05 USER MOD Single : A 693 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.058) USER MOD Single : A 694 SER OG : rot 180:sc= 0.089 USER MOD Single : A 695 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0199) USER MOD Single : A 698 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 702 SER OG : rot 176:sc= -0.183 USER MOD Single : A 704 SER OG : rot -135:sc= -3.58! USER MOD Single : A 705 LYS NZ :NH3+ -137:sc= 1.26 (180deg=-0.987) USER MOD Single : A 707 ASN : amide:sc= -0.0975 X(o=-0.098,f=-0.38) USER MOD Single : A 708 SER OG : rot 180:sc= 0 USER MOD Single : A 716 SER OG : rot 73:sc= -1.34! USER MOD Single : A 718 SER OG : rot 166:sc= 0.589 USER MOD Single : A 719 GLN : amide:sc= -2.08! K(o=-2.1!,f=-0.93) USER MOD Single : A 720 SER OG : rot 87:sc= 1.2 USER MOD Single : A 722 HIS : no HE2:sc= 0.824 K(o=0.82,f=-3.5!) USER MOD Single : A 724 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.16) USER MOD Single : A 727 ASN : amide:sc= -3.81! C(o=-3.8!,f=-3.4!) USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 739 HIS : no HD1:sc=-0.00826 X(o=-0.0083,f=0) USER MOD Single : A 745 SER OG : rot 170:sc= -2.01! USER MOD Single : A 746 HIS : no HE2:sc= 0.255 K(o=0.25,f=-2.5!) USER MOD Single : A 747 SER OG : rot 180:sc= 0 USER MOD Single : A 750 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 754 SER OG : rot 180:sc= 0 USER MOD Single : A 756 THR OG1 : rot -76:sc= -4.13! USER MOD Single : A 759 CYS SG : rot 62:sc= -4.04! USER MOD Single : A 764 SER OG : rot -5:sc= 1.09 USER MOD Single : A 765 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 679 -10.304 8.584 6.763 1.00 0.86 N ATOM 2 CA LYS A 679 -8.823 8.590 6.721 1.00 0.72 C ATOM 3 C LYS A 679 -8.236 7.384 7.458 1.00 0.66 C ATOM 4 O LYS A 679 -7.043 7.103 7.342 1.00 1.02 O ATOM 5 CB LYS A 679 -8.294 9.886 7.340 1.00 0.92 C ATOM 6 CG LYS A 679 -6.786 10.068 7.238 1.00 0.97 C ATOM 7 CD LYS A 679 -6.321 10.146 5.792 1.00 1.12 C ATOM 8 CE LYS A 679 -4.822 10.363 5.707 1.00 1.43 C ATOM 9 NZ LYS A 679 -4.340 10.434 4.303 1.00 2.26 N ATOM 0 HA LYS A 679 -8.514 8.528 5.677 1.00 0.72 H new ATOM 0 HB2 LYS A 679 -8.782 10.731 6.854 1.00 0.92 H new ATOM 0 HB3 LYS A 679 -8.580 9.914 8.391 1.00 0.92 H new ATOM 0 HG2 LYS A 679 -6.494 10.977 7.763 1.00 0.97 H new ATOM 0 HG3 LYS A 679 -6.286 9.238 7.736 1.00 0.97 H new ATOM 0 HD2 LYS A 679 -6.588 9.226 5.272 1.00 1.12 H new ATOM 0 HD3 LYS A 679 -6.838 10.961 5.285 1.00 1.12 H new ATOM 0 HE2 LYS A 679 -4.561 11.286 6.225 1.00 1.43 H new ATOM 0 HE3 LYS A 679 -4.310 9.551 6.224 1.00 1.43 H new ATOM 0 HZ1 LYS A 679 -3.316 10.617 4.296 1.00 2.26 H new ATOM 0 HZ2 LYS A 679 -4.534 9.532 3.823 1.00 2.26 H new ATOM 0 HZ3 LYS A 679 -4.832 11.203 3.805 1.00 2.26 H new ATOM 25 N GLN A 680 -9.063 6.660 8.204 1.00 0.54 N ATOM 26 CA GLN A 680 -8.564 5.528 8.973 1.00 0.71 C ATOM 27 C GLN A 680 -9.085 4.193 8.443 1.00 0.50 C ATOM 28 O GLN A 680 -10.287 3.939 8.440 1.00 0.78 O ATOM 29 CB GLN A 680 -8.937 5.652 10.451 1.00 1.24 C ATOM 30 CG GLN A 680 -8.211 6.764 11.195 1.00 1.84 C ATOM 31 CD GLN A 680 -8.693 8.151 10.823 1.00 2.28 C ATOM 32 OE1 GLN A 680 -9.853 8.344 10.452 1.00 2.61 O ATOM 33 NE2 GLN A 680 -7.806 9.128 10.912 1.00 2.98 N ATOM 0 H GLN A 680 -10.064 6.833 8.292 1.00 0.54 H new ATOM 0 HA GLN A 680 -7.479 5.546 8.866 1.00 0.71 H new ATOM 0 HB2 GLN A 680 -10.011 5.821 10.528 1.00 1.24 H new ATOM 0 HB3 GLN A 680 -8.727 4.704 10.946 1.00 1.24 H new ATOM 0 HG2 GLN A 680 -8.340 6.618 12.267 1.00 1.84 H new ATOM 0 HG3 GLN A 680 -7.143 6.691 10.990 1.00 1.84 H new ATOM 0 HE21 GLN A 680 -6.856 8.927 11.223 1.00 2.98 H new ATOM 0 HE22 GLN A 680 -8.072 10.082 10.669 1.00 2.98 H new ATOM 42 N LYS A 681 -8.163 3.370 7.968 1.00 0.53 N ATOM 43 CA LYS A 681 -8.409 1.956 7.726 1.00 0.44 C ATOM 44 C LYS A 681 -7.081 1.213 7.862 1.00 0.37 C ATOM 45 O LYS A 681 -6.135 1.481 7.121 1.00 0.55 O ATOM 46 CB LYS A 681 -9.062 1.722 6.350 1.00 0.63 C ATOM 47 CG LYS A 681 -8.336 2.377 5.183 1.00 0.67 C ATOM 48 CD LYS A 681 -8.952 2.036 3.842 1.00 0.70 C ATOM 49 CE LYS A 681 -8.985 0.534 3.577 1.00 0.87 C ATOM 50 NZ LYS A 681 -10.379 0.008 3.525 1.00 1.44 N ATOM 0 H LYS A 681 -7.215 3.667 7.738 1.00 0.53 H new ATOM 0 HA LYS A 681 -9.117 1.572 8.461 1.00 0.44 H new ATOM 0 HB2 LYS A 681 -9.120 0.649 6.168 1.00 0.63 H new ATOM 0 HB3 LYS A 681 -10.085 2.096 6.380 1.00 0.63 H new ATOM 0 HG2 LYS A 681 -8.344 3.459 5.317 1.00 0.67 H new ATOM 0 HG3 LYS A 681 -7.292 2.063 5.188 1.00 0.67 H new ATOM 0 HD2 LYS A 681 -9.967 2.431 3.802 1.00 0.70 H new ATOM 0 HD3 LYS A 681 -8.387 2.529 3.051 1.00 0.70 H new ATOM 0 HE2 LYS A 681 -8.481 0.321 2.634 1.00 0.87 H new ATOM 0 HE3 LYS A 681 -8.430 0.015 4.359 1.00 0.87 H new ATOM 0 HZ1 LYS A 681 -10.363 -0.988 3.227 1.00 1.44 H new ATOM 0 HZ2 LYS A 681 -10.813 0.080 4.467 1.00 1.44 H new ATOM 0 HZ3 LYS A 681 -10.935 0.564 2.844 1.00 1.44 H new ATOM 64 N VAL A 682 -6.984 0.329 8.849 1.00 0.33 N ATOM 65 CA VAL A 682 -5.699 -0.279 9.183 1.00 0.35 C ATOM 66 C VAL A 682 -5.377 -1.446 8.266 1.00 0.37 C ATOM 67 O VAL A 682 -5.943 -2.529 8.394 1.00 0.46 O ATOM 68 CB VAL A 682 -5.687 -0.778 10.646 1.00 0.49 C ATOM 69 CG1 VAL A 682 -4.357 -1.421 10.994 1.00 1.36 C ATOM 70 CG2 VAL A 682 -6.001 0.354 11.608 1.00 1.32 C ATOM 0 H VAL A 682 -7.767 0.020 9.425 1.00 0.33 H new ATOM 0 HA VAL A 682 -4.942 0.495 9.052 1.00 0.35 H new ATOM 0 HB VAL A 682 -6.465 -1.536 10.744 1.00 0.49 H new ATOM 0 HG11 VAL A 682 -4.378 -1.762 12.029 1.00 1.36 H new ATOM 0 HG12 VAL A 682 -4.180 -2.271 10.335 1.00 1.36 H new ATOM 0 HG13 VAL A 682 -3.556 -0.692 10.868 1.00 1.36 H new ATOM 0 HG21 VAL A 682 -5.986 -0.023 12.631 1.00 1.32 H new ATOM 0 HG22 VAL A 682 -5.254 1.141 11.501 1.00 1.32 H new ATOM 0 HG23 VAL A 682 -6.988 0.758 11.384 1.00 1.32 H new ATOM 80 N LEU A 683 -4.467 -1.201 7.343 1.00 0.34 N ATOM 81 CA LEU A 683 -3.973 -2.232 6.451 1.00 0.39 C ATOM 82 C LEU A 683 -2.490 -2.489 6.659 1.00 0.38 C ATOM 83 O LEU A 683 -1.669 -1.611 6.372 1.00 0.38 O ATOM 84 CB LEU A 683 -4.239 -1.815 5.014 1.00 0.47 C ATOM 85 CG LEU A 683 -5.702 -1.516 4.722 1.00 0.82 C ATOM 86 CD1 LEU A 683 -5.844 -0.812 3.383 1.00 1.44 C ATOM 87 CD2 LEU A 683 -6.514 -2.799 4.738 1.00 1.55 C ATOM 0 H LEU A 683 -4.050 -0.283 7.191 1.00 0.34 H new ATOM 0 HA LEU A 683 -4.497 -3.162 6.671 1.00 0.39 H new ATOM 0 HB2 LEU A 683 -3.645 -0.930 4.786 1.00 0.47 H new ATOM 0 HB3 LEU A 683 -3.900 -2.607 4.347 1.00 0.47 H new ATOM 0 HG LEU A 683 -6.084 -0.854 5.499 1.00 0.82 H new ATOM 0 HD11 LEU A 683 -6.897 -0.606 3.190 1.00 1.44 H new ATOM 0 HD12 LEU A 683 -5.289 0.126 3.404 1.00 1.44 H new ATOM 0 HD13 LEU A 683 -5.449 -1.450 2.593 1.00 1.44 H new ATOM 0 HD21 LEU A 683 -7.559 -2.571 4.528 1.00 1.55 H new ATOM 0 HD22 LEU A 683 -6.132 -3.481 3.979 1.00 1.55 H new ATOM 0 HD23 LEU A 683 -6.435 -3.267 5.719 1.00 1.55 H new ATOM 99 N PRO A 684 -2.086 -3.649 7.185 1.00 0.41 N ATOM 100 CA PRO A 684 -0.704 -4.048 7.055 1.00 0.40 C ATOM 101 C PRO A 684 -0.486 -4.638 5.668 1.00 0.38 C ATOM 102 O PRO A 684 -1.165 -5.586 5.276 1.00 0.43 O ATOM 103 CB PRO A 684 -0.530 -5.125 8.140 1.00 0.48 C ATOM 104 CG PRO A 684 -1.865 -5.266 8.818 1.00 0.65 C ATOM 105 CD PRO A 684 -2.887 -4.620 7.923 1.00 0.48 C ATOM 0 HA PRO A 684 0.004 -3.228 7.172 1.00 0.40 H new ATOM 0 HB2 PRO A 684 -0.216 -6.072 7.700 1.00 0.48 H new ATOM 0 HB3 PRO A 684 0.240 -4.835 8.855 1.00 0.48 H new ATOM 0 HG2 PRO A 684 -2.105 -6.317 8.981 1.00 0.65 H new ATOM 0 HG3 PRO A 684 -1.852 -4.786 9.797 1.00 0.65 H new ATOM 0 HD2 PRO A 684 -3.362 -5.343 7.260 1.00 0.48 H new ATOM 0 HD3 PRO A 684 -3.682 -4.141 8.494 1.00 0.48 H new ATOM 113 N VAL A 685 0.485 -4.113 4.952 1.00 0.34 N ATOM 114 CA VAL A 685 0.783 -4.586 3.603 1.00 0.33 C ATOM 115 C VAL A 685 2.105 -5.330 3.550 1.00 0.30 C ATOM 116 O VAL A 685 2.999 -5.049 4.344 1.00 0.33 O ATOM 117 CB VAL A 685 0.780 -3.439 2.583 1.00 0.39 C ATOM 118 CG1 VAL A 685 -0.612 -2.835 2.459 1.00 0.45 C ATOM 119 CG2 VAL A 685 1.783 -2.386 2.982 1.00 0.60 C ATOM 0 H VAL A 685 1.087 -3.356 5.276 1.00 0.34 H new ATOM 0 HA VAL A 685 -0.012 -5.281 3.335 1.00 0.33 H new ATOM 0 HB VAL A 685 1.064 -3.838 1.609 1.00 0.39 H new ATOM 0 HG11 VAL A 685 -0.593 -2.024 1.731 1.00 0.45 H new ATOM 0 HG12 VAL A 685 -1.313 -3.602 2.130 1.00 0.45 H new ATOM 0 HG13 VAL A 685 -0.928 -2.447 3.427 1.00 0.45 H new ATOM 0 HG21 VAL A 685 1.772 -1.577 2.251 1.00 0.60 H new ATOM 0 HG22 VAL A 685 1.524 -1.991 3.964 1.00 0.60 H new ATOM 0 HG23 VAL A 685 2.779 -2.828 3.019 1.00 0.60 H new ATOM 129 N PHE A 686 2.245 -6.258 2.608 1.00 0.33 N ATOM 130 CA PHE A 686 3.490 -7.008 2.476 1.00 0.37 C ATOM 131 C PHE A 686 4.158 -6.688 1.153 1.00 0.44 C ATOM 132 O PHE A 686 3.784 -7.207 0.117 1.00 0.70 O ATOM 133 CB PHE A 686 3.276 -8.520 2.603 1.00 0.62 C ATOM 134 CG PHE A 686 1.922 -9.016 2.166 1.00 0.92 C ATOM 135 CD1 PHE A 686 1.515 -8.927 0.842 1.00 1.55 C ATOM 136 CD2 PHE A 686 1.061 -9.591 3.087 1.00 1.65 C ATOM 137 CE1 PHE A 686 0.278 -9.399 0.449 1.00 2.32 C ATOM 138 CE2 PHE A 686 -0.178 -10.064 2.698 1.00 2.43 C ATOM 139 CZ PHE A 686 -0.571 -9.969 1.378 1.00 2.65 C ATOM 0 H PHE A 686 1.522 -6.507 1.933 1.00 0.33 H new ATOM 0 HA PHE A 686 4.138 -6.701 3.297 1.00 0.37 H new ATOM 0 HB2 PHE A 686 4.039 -9.029 2.014 1.00 0.62 H new ATOM 0 HB3 PHE A 686 3.432 -8.807 3.643 1.00 0.62 H new ATOM 0 HD1 PHE A 686 2.174 -8.483 0.110 1.00 1.55 H new ATOM 0 HD2 PHE A 686 1.362 -9.670 4.121 1.00 1.65 H new ATOM 0 HE1 PHE A 686 -0.026 -9.323 -0.585 1.00 2.32 H new ATOM 0 HE2 PHE A 686 -0.839 -10.508 3.427 1.00 2.43 H new ATOM 0 HZ PHE A 686 -1.539 -10.339 1.073 1.00 2.65 H new ATOM 149 N TYR A 687 5.159 -5.849 1.199 1.00 0.46 N ATOM 150 CA TYR A 687 5.786 -5.354 -0.005 1.00 0.69 C ATOM 151 C TYR A 687 7.282 -5.579 0.035 1.00 0.50 C ATOM 152 O TYR A 687 7.903 -5.557 1.097 1.00 0.64 O ATOM 153 CB TYR A 687 5.453 -3.884 -0.239 1.00 1.33 C ATOM 154 CG TYR A 687 5.795 -2.973 0.911 1.00 2.53 C ATOM 155 CD1 TYR A 687 4.831 -2.593 1.828 1.00 3.44 C ATOM 156 CD2 TYR A 687 7.089 -2.510 1.089 1.00 3.03 C ATOM 157 CE1 TYR A 687 5.149 -1.781 2.890 1.00 4.64 C ATOM 158 CE2 TYR A 687 7.412 -1.691 2.151 1.00 4.21 C ATOM 159 CZ TYR A 687 6.411 -1.263 3.004 1.00 4.97 C ATOM 160 OH TYR A 687 6.757 -0.529 4.118 1.00 6.20 O ATOM 0 H TYR A 687 5.563 -5.490 2.064 1.00 0.46 H new ATOM 0 HA TYR A 687 5.385 -5.918 -0.847 1.00 0.69 H new ATOM 0 HB2 TYR A 687 5.984 -3.542 -1.127 1.00 1.33 H new ATOM 0 HB3 TYR A 687 4.387 -3.796 -0.451 1.00 1.33 H new ATOM 0 HD1 TYR A 687 3.815 -2.939 1.707 1.00 3.44 H new ATOM 0 HD2 TYR A 687 7.857 -2.795 0.385 1.00 3.03 H new ATOM 0 HE1 TYR A 687 4.402 -1.551 3.636 1.00 4.64 H new ATOM 0 HE2 TYR A 687 8.435 -1.387 2.315 1.00 4.21 H new ATOM 0 HH TYR A 687 6.773 0.424 3.890 1.00 6.20 H new ATOM 170 N PHE A 688 7.865 -5.830 -1.113 1.00 0.57 N ATOM 171 CA PHE A 688 9.280 -6.107 -1.157 1.00 0.60 C ATOM 172 C PHE A 688 10.011 -4.783 -1.235 1.00 0.63 C ATOM 173 O PHE A 688 9.965 -4.076 -2.240 1.00 0.69 O ATOM 174 CB PHE A 688 9.614 -6.979 -2.368 1.00 0.81 C ATOM 175 CG PHE A 688 8.688 -8.151 -2.526 1.00 1.20 C ATOM 176 CD1 PHE A 688 8.011 -8.360 -3.715 1.00 1.75 C ATOM 177 CD2 PHE A 688 8.495 -9.043 -1.485 1.00 1.41 C ATOM 178 CE1 PHE A 688 7.158 -9.438 -3.865 1.00 2.40 C ATOM 179 CE2 PHE A 688 7.644 -10.123 -1.627 1.00 2.00 C ATOM 180 CZ PHE A 688 6.974 -10.320 -2.816 1.00 2.48 C ATOM 0 H PHE A 688 7.390 -5.848 -2.016 1.00 0.57 H new ATOM 0 HA PHE A 688 9.587 -6.652 -0.264 1.00 0.60 H new ATOM 0 HB2 PHE A 688 9.574 -6.368 -3.270 1.00 0.81 H new ATOM 0 HB3 PHE A 688 10.637 -7.343 -2.275 1.00 0.81 H new ATOM 0 HD1 PHE A 688 8.151 -7.672 -4.536 1.00 1.75 H new ATOM 0 HD2 PHE A 688 9.016 -8.893 -0.551 1.00 1.41 H new ATOM 0 HE1 PHE A 688 6.637 -9.591 -4.799 1.00 2.40 H new ATOM 0 HE2 PHE A 688 7.504 -10.812 -0.807 1.00 2.00 H new ATOM 0 HZ PHE A 688 6.307 -11.162 -2.928 1.00 2.48 H new ATOM 190 N ALA A 689 10.685 -4.471 -0.141 1.00 0.73 N ATOM 191 CA ALA A 689 11.241 -3.153 0.080 1.00 0.85 C ATOM 192 C ALA A 689 12.603 -3.024 -0.543 1.00 0.81 C ATOM 193 O ALA A 689 13.390 -3.974 -0.544 1.00 0.80 O ATOM 194 CB ALA A 689 11.335 -2.881 1.572 1.00 1.07 C ATOM 0 H ALA A 689 10.861 -5.128 0.619 1.00 0.73 H new ATOM 0 HA ALA A 689 10.581 -2.423 -0.389 1.00 0.85 H new ATOM 0 HB1 ALA A 689 11.754 -1.888 1.735 1.00 1.07 H new ATOM 0 HB2 ALA A 689 10.340 -2.932 2.015 1.00 1.07 H new ATOM 0 HB3 ALA A 689 11.978 -3.627 2.038 1.00 1.07 H new ATOM 200 N ARG A 690 12.889 -1.856 -1.082 1.00 0.87 N ATOM 201 CA ARG A 690 14.235 -1.582 -1.516 1.00 0.87 C ATOM 202 C ARG A 690 14.939 -0.826 -0.414 1.00 0.85 C ATOM 203 O ARG A 690 15.071 0.397 -0.412 1.00 0.97 O ATOM 204 CB ARG A 690 14.223 -0.805 -2.823 1.00 1.06 C ATOM 205 CG ARG A 690 14.093 -1.682 -4.063 1.00 1.22 C ATOM 206 CD ARG A 690 13.207 -2.901 -3.829 1.00 1.47 C ATOM 207 NE ARG A 690 12.857 -3.573 -5.076 1.00 2.19 N ATOM 208 CZ ARG A 690 12.865 -4.894 -5.241 1.00 2.74 C ATOM 209 NH1 ARG A 690 13.225 -5.687 -4.242 1.00 2.85 N ATOM 210 NH2 ARG A 690 12.521 -5.424 -6.411 1.00 3.57 N ATOM 0 H ARG A 690 12.221 -1.099 -1.226 1.00 0.87 H new ATOM 0 HA ARG A 690 14.773 -2.510 -1.710 1.00 0.87 H new ATOM 0 HB2 ARG A 690 13.396 -0.095 -2.804 1.00 1.06 H new ATOM 0 HB3 ARG A 690 15.142 -0.223 -2.897 1.00 1.06 H new ATOM 0 HG2 ARG A 690 13.682 -1.090 -4.881 1.00 1.22 H new ATOM 0 HG3 ARG A 690 15.084 -2.012 -4.375 1.00 1.22 H new ATOM 0 HD2 ARG A 690 13.722 -3.602 -3.172 1.00 1.47 H new ATOM 0 HD3 ARG A 690 12.296 -2.593 -3.316 1.00 1.47 H new ATOM 0 HE ARG A 690 12.589 -2.994 -5.872 1.00 2.19 H new ATOM 0 HH11 ARG A 690 13.497 -5.285 -3.345 1.00 2.85 H new ATOM 0 HH12 ARG A 690 13.230 -6.699 -4.371 1.00 2.85 H new ATOM 0 HH21 ARG A 690 12.250 -4.818 -7.185 1.00 3.57 H new ATOM 0 HH22 ARG A 690 12.528 -6.437 -6.534 1.00 3.57 H new ATOM 224 N GLU A 691 15.378 -1.633 0.509 1.00 0.74 N ATOM 225 CA GLU A 691 16.136 -1.256 1.670 1.00 0.73 C ATOM 226 C GLU A 691 17.583 -1.664 1.446 1.00 0.72 C ATOM 227 O GLU A 691 17.908 -2.158 0.366 1.00 0.76 O ATOM 228 CB GLU A 691 15.541 -1.901 2.927 1.00 0.70 C ATOM 229 CG GLU A 691 14.257 -1.247 3.413 1.00 0.99 C ATOM 230 CD GLU A 691 14.525 -0.138 4.411 1.00 1.45 C ATOM 231 OE1 GLU A 691 14.087 -0.257 5.569 1.00 1.87 O ATOM 232 OE2 GLU A 691 15.159 0.872 4.037 1.00 1.98 O ATOM 0 H GLU A 691 15.205 -2.637 0.469 1.00 0.74 H new ATOM 0 HA GLU A 691 16.095 -0.178 1.823 1.00 0.73 H new ATOM 0 HB2 GLU A 691 15.345 -2.954 2.724 1.00 0.70 H new ATOM 0 HB3 GLU A 691 16.281 -1.863 3.727 1.00 0.70 H new ATOM 0 HG2 GLU A 691 13.711 -0.843 2.560 1.00 0.99 H new ATOM 0 HG3 GLU A 691 13.618 -2.001 3.872 1.00 0.99 H new ATOM 239 N PRO A 692 18.479 -1.383 2.403 1.00 0.77 N ATOM 240 CA PRO A 692 19.837 -1.969 2.484 1.00 0.85 C ATOM 241 C PRO A 692 19.921 -3.481 2.132 1.00 0.85 C ATOM 242 O PRO A 692 20.986 -4.085 2.229 1.00 1.01 O ATOM 243 CB PRO A 692 20.233 -1.757 3.955 1.00 0.96 C ATOM 244 CG PRO A 692 19.110 -0.999 4.597 1.00 0.96 C ATOM 245 CD PRO A 692 18.287 -0.416 3.487 1.00 0.88 C ATOM 0 HA PRO A 692 20.492 -1.494 1.753 1.00 0.85 H new ATOM 0 HB2 PRO A 692 20.391 -2.713 4.455 1.00 0.96 H new ATOM 0 HB3 PRO A 692 21.167 -1.201 4.028 1.00 0.96 H new ATOM 0 HG2 PRO A 692 18.506 -1.658 5.220 1.00 0.96 H new ATOM 0 HG3 PRO A 692 19.496 -0.213 5.246 1.00 0.96 H new ATOM 0 HD2 PRO A 692 17.237 -0.324 3.766 1.00 0.88 H new ATOM 0 HD3 PRO A 692 18.631 0.580 3.207 1.00 0.88 H new ATOM 253 N HIS A 693 18.787 -4.066 1.738 1.00 0.76 N ATOM 254 CA HIS A 693 18.611 -5.493 1.500 1.00 0.84 C ATOM 255 C HIS A 693 18.494 -6.258 2.786 1.00 0.83 C ATOM 256 O HIS A 693 19.223 -7.214 3.057 1.00 1.01 O ATOM 257 CB HIS A 693 19.706 -6.081 0.606 1.00 1.08 C ATOM 258 CG HIS A 693 19.400 -5.953 -0.854 1.00 1.45 C ATOM 259 ND1 HIS A 693 20.328 -5.568 -1.795 1.00 1.93 N ATOM 260 CD2 HIS A 693 18.251 -6.171 -1.534 1.00 2.20 C ATOM 261 CE1 HIS A 693 19.763 -5.552 -2.989 1.00 2.48 C ATOM 262 NE2 HIS A 693 18.501 -5.915 -2.856 1.00 2.61 N ATOM 0 H HIS A 693 17.934 -3.533 1.570 1.00 0.76 H new ATOM 0 HA HIS A 693 17.671 -5.599 0.959 1.00 0.84 H new ATOM 0 HB2 HIS A 693 20.650 -5.579 0.819 1.00 1.08 H new ATOM 0 HB3 HIS A 693 19.842 -7.134 0.852 1.00 1.08 H new ATOM 0 HD2 HIS A 693 17.309 -6.489 -1.112 1.00 2.20 H new ATOM 0 HE1 HIS A 693 20.250 -5.287 -3.916 1.00 2.48 H new ATOM 0 HE2 HIS A 693 17.823 -5.992 -3.614 1.00 2.61 H new ATOM 271 N SER A 694 17.566 -5.778 3.588 1.00 0.71 N ATOM 272 CA SER A 694 16.982 -6.558 4.642 1.00 0.76 C ATOM 273 C SER A 694 15.849 -7.386 4.043 1.00 0.68 C ATOM 274 O SER A 694 15.619 -7.330 2.831 1.00 0.62 O ATOM 275 CB SER A 694 16.463 -5.639 5.746 1.00 0.82 C ATOM 276 OG SER A 694 16.081 -4.378 5.214 1.00 1.14 O ATOM 0 H SER A 694 17.198 -4.829 3.521 1.00 0.71 H new ATOM 0 HA SER A 694 17.725 -7.220 5.086 1.00 0.76 H new ATOM 0 HB2 SER A 694 15.610 -6.103 6.241 1.00 0.82 H new ATOM 0 HB3 SER A 694 17.235 -5.501 6.503 1.00 0.82 H new ATOM 0 HG SER A 694 15.750 -3.805 5.937 1.00 1.14 H new ATOM 282 N LYS A 695 15.154 -8.153 4.862 1.00 0.75 N ATOM 283 CA LYS A 695 14.039 -8.952 4.374 1.00 0.73 C ATOM 284 C LYS A 695 12.900 -8.065 3.892 1.00 0.59 C ATOM 285 O LYS A 695 12.811 -6.900 4.280 1.00 0.56 O ATOM 286 CB LYS A 695 13.546 -9.909 5.463 1.00 0.91 C ATOM 287 CG LYS A 695 14.128 -11.302 5.337 1.00 1.71 C ATOM 288 CD LYS A 695 15.633 -11.254 5.166 1.00 2.33 C ATOM 289 CE LYS A 695 16.198 -12.627 4.840 1.00 3.33 C ATOM 290 NZ LYS A 695 16.000 -13.592 5.955 1.00 4.08 N ATOM 0 H LYS A 695 15.338 -8.242 5.861 1.00 0.75 H new ATOM 0 HA LYS A 695 14.392 -9.540 3.527 1.00 0.73 H new ATOM 0 HB2 LYS A 695 13.803 -9.501 6.441 1.00 0.91 H new ATOM 0 HB3 LYS A 695 12.459 -9.971 5.419 1.00 0.91 H new ATOM 0 HG2 LYS A 695 13.879 -11.885 6.224 1.00 1.71 H new ATOM 0 HG3 LYS A 695 13.679 -11.811 4.484 1.00 1.71 H new ATOM 0 HD2 LYS A 695 15.888 -10.555 4.369 1.00 2.33 H new ATOM 0 HD3 LYS A 695 16.093 -10.877 6.080 1.00 2.33 H new ATOM 0 HE2 LYS A 695 15.719 -13.011 3.939 1.00 3.33 H new ATOM 0 HE3 LYS A 695 17.262 -12.538 4.622 1.00 3.33 H new ATOM 0 HZ1 LYS A 695 16.459 -14.495 5.718 1.00 4.08 H new ATOM 0 HZ2 LYS A 695 16.420 -13.208 6.825 1.00 4.08 H new ATOM 0 HZ3 LYS A 695 14.982 -13.749 6.102 1.00 4.08 H new ATOM 304 N PRO A 696 12.021 -8.603 3.030 1.00 0.58 N ATOM 305 CA PRO A 696 10.887 -7.851 2.500 1.00 0.49 C ATOM 306 C PRO A 696 10.052 -7.241 3.616 1.00 0.45 C ATOM 307 O PRO A 696 9.800 -7.887 4.638 1.00 0.57 O ATOM 308 CB PRO A 696 10.087 -8.897 1.726 1.00 0.63 C ATOM 309 CG PRO A 696 11.089 -9.932 1.356 1.00 0.94 C ATOM 310 CD PRO A 696 12.068 -9.975 2.495 1.00 0.74 C ATOM 0 HA PRO A 696 11.198 -7.011 1.880 1.00 0.49 H new ATOM 0 HB2 PRO A 696 9.288 -9.318 2.337 1.00 0.63 H new ATOM 0 HB3 PRO A 696 9.618 -8.464 0.842 1.00 0.63 H new ATOM 0 HG2 PRO A 696 10.614 -10.902 1.211 1.00 0.94 H new ATOM 0 HG3 PRO A 696 11.587 -9.678 0.421 1.00 0.94 H new ATOM 0 HD2 PRO A 696 11.780 -10.710 3.246 1.00 0.74 H new ATOM 0 HD3 PRO A 696 13.069 -10.241 2.156 1.00 0.74 H new ATOM 318 N ILE A 697 9.612 -6.009 3.415 1.00 0.46 N ATOM 319 CA ILE A 697 9.032 -5.245 4.498 1.00 0.56 C ATOM 320 C ILE A 697 7.523 -5.177 4.419 1.00 0.51 C ATOM 321 O ILE A 697 6.938 -4.662 3.467 1.00 0.63 O ATOM 322 CB ILE A 697 9.636 -3.820 4.582 1.00 0.82 C ATOM 323 CG1 ILE A 697 11.004 -3.899 5.257 1.00 1.02 C ATOM 324 CG2 ILE A 697 8.718 -2.872 5.350 1.00 1.01 C ATOM 325 CD1 ILE A 697 10.927 -4.440 6.671 1.00 1.15 C ATOM 0 H ILE A 697 9.646 -5.524 2.519 1.00 0.46 H new ATOM 0 HA ILE A 697 9.286 -5.780 5.413 1.00 0.56 H new ATOM 0 HB ILE A 697 9.744 -3.423 3.573 1.00 0.82 H new ATOM 0 HG12 ILE A 697 11.661 -4.535 4.664 1.00 1.02 H new ATOM 0 HG13 ILE A 697 11.453 -2.906 5.276 1.00 1.02 H new ATOM 0 HG21 ILE A 697 9.170 -1.881 5.391 1.00 1.01 H new ATOM 0 HG22 ILE A 697 7.754 -2.810 4.845 1.00 1.01 H new ATOM 0 HG23 ILE A 697 8.573 -3.247 6.363 1.00 1.01 H new ATOM 0 HD11 ILE A 697 11.927 -4.474 7.102 1.00 1.15 H new ATOM 0 HD12 ILE A 697 10.293 -3.790 7.275 1.00 1.15 H new ATOM 0 HD13 ILE A 697 10.505 -5.445 6.654 1.00 1.15 H new ATOM 337 N LYS A 698 6.901 -5.729 5.432 1.00 0.56 N ATOM 338 CA LYS A 698 5.498 -5.527 5.648 1.00 0.65 C ATOM 339 C LYS A 698 5.308 -4.377 6.626 1.00 0.46 C ATOM 340 O LYS A 698 5.876 -4.378 7.717 1.00 0.52 O ATOM 341 CB LYS A 698 4.823 -6.818 6.143 1.00 1.04 C ATOM 342 CG LYS A 698 5.628 -7.645 7.150 1.00 1.91 C ATOM 343 CD LYS A 698 5.543 -7.093 8.569 1.00 2.12 C ATOM 344 CE LYS A 698 4.109 -7.049 9.083 1.00 2.62 C ATOM 345 NZ LYS A 698 4.024 -6.428 10.432 1.00 3.17 N ATOM 0 H LYS A 698 7.354 -6.327 6.123 1.00 0.56 H new ATOM 0 HA LYS A 698 5.017 -5.267 4.705 1.00 0.65 H new ATOM 0 HB2 LYS A 698 3.868 -6.555 6.598 1.00 1.04 H new ATOM 0 HB3 LYS A 698 4.603 -7.445 5.279 1.00 1.04 H new ATOM 0 HG2 LYS A 698 5.265 -8.673 7.142 1.00 1.91 H new ATOM 0 HG3 LYS A 698 6.672 -7.674 6.838 1.00 1.91 H new ATOM 0 HD2 LYS A 698 6.147 -7.710 9.234 1.00 2.12 H new ATOM 0 HD3 LYS A 698 5.967 -6.089 8.593 1.00 2.12 H new ATOM 0 HE2 LYS A 698 3.490 -6.486 8.384 1.00 2.62 H new ATOM 0 HE3 LYS A 698 3.706 -8.061 9.123 1.00 2.62 H new ATOM 0 HZ1 LYS A 698 3.033 -6.416 10.747 1.00 3.17 H new ATOM 0 HZ2 LYS A 698 4.595 -6.979 11.104 1.00 3.17 H new ATOM 0 HZ3 LYS A 698 4.385 -5.454 10.389 1.00 3.17 H new ATOM 359 N PHE A 699 4.559 -3.368 6.228 1.00 0.41 N ATOM 360 CA PHE A 699 4.297 -2.260 7.122 1.00 0.33 C ATOM 361 C PHE A 699 2.812 -2.115 7.333 1.00 0.32 C ATOM 362 O PHE A 699 2.024 -2.262 6.399 1.00 0.33 O ATOM 363 CB PHE A 699 4.863 -0.945 6.584 1.00 0.41 C ATOM 364 CG PHE A 699 5.088 0.082 7.656 1.00 0.77 C ATOM 365 CD1 PHE A 699 4.173 1.092 7.868 1.00 1.08 C ATOM 366 CD2 PHE A 699 6.218 0.026 8.458 1.00 1.27 C ATOM 367 CE1 PHE A 699 4.373 2.034 8.859 1.00 1.58 C ATOM 368 CE2 PHE A 699 6.427 0.965 9.450 1.00 1.76 C ATOM 369 CZ PHE A 699 5.503 1.970 9.652 1.00 1.84 C ATOM 0 H PHE A 699 4.128 -3.293 5.307 1.00 0.41 H new ATOM 0 HA PHE A 699 4.793 -2.477 8.068 1.00 0.33 H new ATOM 0 HB2 PHE A 699 5.807 -1.144 6.076 1.00 0.41 H new ATOM 0 HB3 PHE A 699 4.179 -0.540 5.839 1.00 0.41 H new ATOM 0 HD1 PHE A 699 3.288 1.147 7.251 1.00 1.08 H new ATOM 0 HD2 PHE A 699 6.943 -0.760 8.306 1.00 1.27 H new ATOM 0 HE1 PHE A 699 3.647 2.819 9.014 1.00 1.58 H new ATOM 0 HE2 PHE A 699 7.312 0.912 10.066 1.00 1.76 H new ATOM 0 HZ PHE A 699 5.663 2.704 10.428 1.00 1.84 H new ATOM 379 N LEU A 700 2.427 -1.843 8.559 1.00 0.32 N ATOM 380 CA LEU A 700 1.048 -1.562 8.847 1.00 0.31 C ATOM 381 C LEU A 700 0.841 -0.062 8.770 1.00 0.28 C ATOM 382 O LEU A 700 1.260 0.683 9.659 1.00 0.34 O ATOM 383 CB LEU A 700 0.691 -2.105 10.241 1.00 0.38 C ATOM 384 CG LEU A 700 -0.777 -1.979 10.670 1.00 0.49 C ATOM 385 CD1 LEU A 700 -1.121 -3.053 11.690 1.00 0.98 C ATOM 386 CD2 LEU A 700 -1.058 -0.604 11.261 1.00 0.73 C ATOM 0 H LEU A 700 3.050 -1.811 9.366 1.00 0.32 H new ATOM 0 HA LEU A 700 0.395 -2.049 8.123 1.00 0.31 H new ATOM 0 HB2 LEU A 700 0.968 -3.159 10.278 1.00 0.38 H new ATOM 0 HB3 LEU A 700 1.307 -1.588 10.977 1.00 0.38 H new ATOM 0 HG LEU A 700 -1.398 -2.109 9.784 1.00 0.49 H new ATOM 0 HD11 LEU A 700 -2.165 -2.952 11.986 1.00 0.98 H new ATOM 0 HD12 LEU A 700 -0.962 -4.037 11.250 1.00 0.98 H new ATOM 0 HD13 LEU A 700 -0.483 -2.940 12.566 1.00 0.98 H new ATOM 0 HD21 LEU A 700 -2.105 -0.542 11.556 1.00 0.73 H new ATOM 0 HD22 LEU A 700 -0.425 -0.447 12.134 1.00 0.73 H new ATOM 0 HD23 LEU A 700 -0.845 0.163 10.516 1.00 0.73 H new ATOM 398 N VAL A 701 0.214 0.385 7.699 1.00 0.25 N ATOM 399 CA VAL A 701 -0.173 1.766 7.600 1.00 0.27 C ATOM 400 C VAL A 701 -1.673 1.884 7.809 1.00 0.24 C ATOM 401 O VAL A 701 -2.450 1.174 7.170 1.00 0.28 O ATOM 402 CB VAL A 701 0.186 2.405 6.245 1.00 0.35 C ATOM 403 CG1 VAL A 701 1.688 2.593 6.127 1.00 0.36 C ATOM 404 CG2 VAL A 701 -0.364 1.577 5.093 1.00 0.41 C ATOM 0 H VAL A 701 -0.034 -0.189 6.893 1.00 0.25 H new ATOM 0 HA VAL A 701 0.382 2.302 8.370 1.00 0.27 H new ATOM 0 HB VAL A 701 -0.279 3.389 6.192 1.00 0.35 H new ATOM 0 HG11 VAL A 701 1.923 3.045 5.164 1.00 0.36 H new ATOM 0 HG12 VAL A 701 2.037 3.244 6.929 1.00 0.36 H new ATOM 0 HG13 VAL A 701 2.183 1.625 6.204 1.00 0.36 H new ATOM 0 HG21 VAL A 701 -0.098 2.048 4.147 1.00 0.41 H new ATOM 0 HG22 VAL A 701 0.060 0.574 5.131 1.00 0.41 H new ATOM 0 HG23 VAL A 701 -1.449 1.515 5.175 1.00 0.41 H new ATOM 414 N SER A 702 -2.106 2.724 8.720 1.00 0.26 N ATOM 415 CA SER A 702 -3.513 3.022 8.765 1.00 0.27 C ATOM 416 C SER A 702 -3.738 4.333 8.044 1.00 0.28 C ATOM 417 O SER A 702 -3.457 5.410 8.575 1.00 0.34 O ATOM 418 CB SER A 702 -3.999 3.103 10.211 1.00 0.34 C ATOM 419 OG SER A 702 -5.412 3.220 10.277 1.00 1.39 O ATOM 0 H SER A 702 -1.528 3.196 9.415 1.00 0.26 H new ATOM 0 HA SER A 702 -4.081 2.230 8.277 1.00 0.27 H new ATOM 0 HB2 SER A 702 -3.680 2.213 10.754 1.00 0.34 H new ATOM 0 HB3 SER A 702 -3.538 3.959 10.704 1.00 0.34 H new ATOM 0 HG SER A 702 -5.698 3.204 11.214 1.00 1.39 H new ATOM 425 N VAL A 703 -4.254 4.228 6.830 1.00 0.28 N ATOM 426 CA VAL A 703 -4.521 5.381 5.998 1.00 0.34 C ATOM 427 C VAL A 703 -5.676 5.052 5.081 1.00 0.36 C ATOM 428 O VAL A 703 -5.869 3.896 4.717 1.00 0.40 O ATOM 429 CB VAL A 703 -3.316 5.789 5.107 1.00 0.42 C ATOM 430 CG1 VAL A 703 -3.372 7.271 4.776 1.00 0.77 C ATOM 431 CG2 VAL A 703 -1.983 5.442 5.747 1.00 0.56 C ATOM 0 H VAL A 703 -4.498 3.338 6.397 1.00 0.28 H new ATOM 0 HA VAL A 703 -4.738 6.213 6.668 1.00 0.34 H new ATOM 0 HB VAL A 703 -3.393 5.214 4.184 1.00 0.42 H new ATOM 0 HG11 VAL A 703 -2.519 7.537 4.151 1.00 0.77 H new ATOM 0 HG12 VAL A 703 -4.296 7.490 4.241 1.00 0.77 H new ATOM 0 HG13 VAL A 703 -3.341 7.851 5.698 1.00 0.77 H new ATOM 0 HG21 VAL A 703 -1.172 5.747 5.086 1.00 0.56 H new ATOM 0 HG22 VAL A 703 -1.890 5.963 6.700 1.00 0.56 H new ATOM 0 HG23 VAL A 703 -1.929 4.366 5.915 1.00 0.56 H new ATOM 441 N SER A 704 -6.421 6.053 4.696 1.00 0.44 N ATOM 442 CA SER A 704 -7.449 5.891 3.694 1.00 0.48 C ATOM 443 C SER A 704 -7.270 6.971 2.650 1.00 0.66 C ATOM 444 O SER A 704 -6.480 7.901 2.848 1.00 0.82 O ATOM 445 CB SER A 704 -8.830 6.026 4.326 1.00 0.49 C ATOM 446 OG SER A 704 -8.942 5.261 5.505 1.00 1.19 O ATOM 0 H SER A 704 -6.336 7.001 5.064 1.00 0.44 H new ATOM 0 HA SER A 704 -7.367 4.902 3.242 1.00 0.48 H new ATOM 0 HB2 SER A 704 -9.025 7.074 4.553 1.00 0.49 H new ATOM 0 HB3 SER A 704 -9.589 5.707 3.612 1.00 0.49 H new ATOM 0 HG SER A 704 -9.798 4.784 5.505 1.00 1.19 H new ATOM 452 N LYS A 705 -7.970 6.844 1.536 1.00 0.87 N ATOM 453 CA LYS A 705 -8.084 7.953 0.612 1.00 1.08 C ATOM 454 C LYS A 705 -8.768 9.092 1.335 1.00 0.96 C ATOM 455 O LYS A 705 -9.943 9.004 1.689 1.00 1.22 O ATOM 456 CB LYS A 705 -8.873 7.567 -0.652 1.00 1.57 C ATOM 457 CG LYS A 705 -9.364 8.744 -1.488 1.00 2.47 C ATOM 458 CD LYS A 705 -10.841 8.600 -1.843 1.00 3.17 C ATOM 459 CE LYS A 705 -11.737 8.910 -0.650 1.00 3.91 C ATOM 460 NZ LYS A 705 -13.130 8.424 -0.833 1.00 4.66 N ATOM 0 H LYS A 705 -8.461 5.996 1.254 1.00 0.87 H new ATOM 0 HA LYS A 705 -7.089 8.249 0.281 1.00 1.08 H new ATOM 0 HB2 LYS A 705 -8.243 6.934 -1.277 1.00 1.57 H new ATOM 0 HB3 LYS A 705 -9.733 6.967 -0.356 1.00 1.57 H new ATOM 0 HG2 LYS A 705 -9.210 9.672 -0.938 1.00 2.47 H new ATOM 0 HG3 LYS A 705 -8.774 8.814 -2.402 1.00 2.47 H new ATOM 0 HD2 LYS A 705 -11.085 9.271 -2.666 1.00 3.17 H new ATOM 0 HD3 LYS A 705 -11.035 7.585 -2.191 1.00 3.17 H new ATOM 0 HE2 LYS A 705 -11.313 8.455 0.245 1.00 3.91 H new ATOM 0 HE3 LYS A 705 -11.752 9.987 -0.483 1.00 3.91 H new ATOM 0 HZ1 LYS A 705 -13.797 9.152 -0.507 1.00 4.66 H new ATOM 0 HZ2 LYS A 705 -13.299 8.225 -1.840 1.00 4.66 H new ATOM 0 HZ3 LYS A 705 -13.270 7.554 -0.280 1.00 4.66 H new ATOM 474 N GLU A 706 -8.007 10.120 1.623 1.00 0.96 N ATOM 475 CA GLU A 706 -8.576 11.346 2.122 1.00 1.16 C ATOM 476 C GLU A 706 -9.366 11.980 0.990 1.00 1.49 C ATOM 477 O GLU A 706 -9.461 11.399 -0.089 1.00 1.84 O ATOM 478 CB GLU A 706 -7.493 12.294 2.637 1.00 1.55 C ATOM 479 CG GLU A 706 -7.762 12.825 4.036 1.00 1.85 C ATOM 480 CD GLU A 706 -9.126 13.464 4.158 1.00 2.27 C ATOM 481 OE1 GLU A 706 -9.975 12.911 4.884 1.00 2.69 O ATOM 482 OE2 GLU A 706 -9.346 14.532 3.551 1.00 2.79 O ATOM 0 H GLU A 706 -6.992 10.131 1.520 1.00 0.96 H new ATOM 0 HA GLU A 706 -9.230 11.137 2.968 1.00 1.16 H new ATOM 0 HB2 GLU A 706 -6.535 11.774 2.633 1.00 1.55 H new ATOM 0 HB3 GLU A 706 -7.402 13.135 1.950 1.00 1.55 H new ATOM 0 HG2 GLU A 706 -7.681 12.008 4.753 1.00 1.85 H new ATOM 0 HG3 GLU A 706 -6.997 13.556 4.297 1.00 1.85 H new ATOM 489 N ASN A 707 -9.939 13.141 1.207 1.00 1.81 N ATOM 490 CA ASN A 707 -10.743 13.780 0.177 1.00 2.13 C ATOM 491 C ASN A 707 -9.921 14.066 -1.098 1.00 1.71 C ATOM 492 O ASN A 707 -10.452 14.597 -2.072 1.00 1.87 O ATOM 493 CB ASN A 707 -11.362 15.074 0.721 1.00 2.79 C ATOM 494 CG ASN A 707 -12.495 15.594 -0.148 1.00 3.37 C ATOM 495 OD1 ASN A 707 -12.288 16.414 -1.043 1.00 3.87 O ATOM 496 ND2 ASN A 707 -13.704 15.122 0.113 1.00 3.89 N ATOM 0 H ASN A 707 -9.868 13.664 2.080 1.00 1.81 H new ATOM 0 HA ASN A 707 -11.540 13.091 -0.100 1.00 2.13 H new ATOM 0 HB2 ASN A 707 -11.735 14.897 1.730 1.00 2.79 H new ATOM 0 HB3 ASN A 707 -10.588 15.838 0.797 1.00 2.79 H new ATOM 0 HD21 ASN A 707 -14.504 15.437 -0.436 1.00 3.89 H new ATOM 0 HD22 ASN A 707 -13.836 14.443 0.863 1.00 3.89 H new ATOM 503 N SER A 708 -8.638 13.684 -1.121 1.00 1.30 N ATOM 504 CA SER A 708 -7.816 13.999 -2.274 1.00 1.07 C ATOM 505 C SER A 708 -7.461 12.773 -3.115 1.00 0.94 C ATOM 506 O SER A 708 -7.872 12.667 -4.272 1.00 1.14 O ATOM 507 CB SER A 708 -6.500 14.597 -1.764 1.00 1.20 C ATOM 508 OG SER A 708 -5.730 15.143 -2.823 1.00 1.82 O ATOM 0 H SER A 708 -8.167 13.173 -0.375 1.00 1.30 H new ATOM 0 HA SER A 708 -8.386 14.683 -2.902 1.00 1.07 H new ATOM 0 HB2 SER A 708 -6.713 15.374 -1.030 1.00 1.20 H new ATOM 0 HB3 SER A 708 -5.923 13.826 -1.254 1.00 1.20 H new ATOM 0 HG SER A 708 -4.899 15.517 -2.464 1.00 1.82 H new ATOM 514 N THR A 709 -6.716 11.844 -2.537 1.00 0.79 N ATOM 515 CA THR A 709 -6.222 10.716 -3.307 1.00 0.73 C ATOM 516 C THR A 709 -6.183 9.405 -2.528 1.00 0.64 C ATOM 517 O THR A 709 -6.183 9.391 -1.296 1.00 0.67 O ATOM 518 CB THR A 709 -4.851 11.058 -3.924 1.00 0.81 C ATOM 519 OG1 THR A 709 -4.255 9.902 -4.521 1.00 0.90 O ATOM 520 CG2 THR A 709 -3.925 11.665 -2.880 1.00 0.85 C ATOM 0 H THR A 709 -6.444 11.848 -1.554 1.00 0.79 H new ATOM 0 HA THR A 709 -6.940 10.542 -4.108 1.00 0.73 H new ATOM 0 HB THR A 709 -5.010 11.798 -4.709 1.00 0.81 H new ATOM 0 HG1 THR A 709 -3.286 10.031 -4.586 1.00 0.90 H new ATOM 0 HG21 THR A 709 -2.964 11.898 -3.338 1.00 0.85 H new ATOM 0 HG22 THR A 709 -4.370 12.578 -2.486 1.00 0.85 H new ATOM 0 HG23 THR A 709 -3.777 10.954 -2.068 1.00 0.85 H new ATOM 528 N ALA A 710 -6.129 8.305 -3.277 1.00 0.68 N ATOM 529 CA ALA A 710 -5.891 6.983 -2.725 1.00 0.65 C ATOM 530 C ALA A 710 -4.409 6.794 -2.437 1.00 0.48 C ATOM 531 O ALA A 710 -4.027 5.977 -1.608 1.00 0.46 O ATOM 532 CB ALA A 710 -6.376 5.916 -3.694 1.00 0.86 C ATOM 0 H ALA A 710 -6.251 8.312 -4.290 1.00 0.68 H new ATOM 0 HA ALA A 710 -6.445 6.888 -1.791 1.00 0.65 H new ATOM 0 HB1 ALA A 710 -6.193 4.929 -3.270 1.00 0.86 H new ATOM 0 HB2 ALA A 710 -7.444 6.043 -3.870 1.00 0.86 H new ATOM 0 HB3 ALA A 710 -5.839 6.011 -4.638 1.00 0.86 H new ATOM 538 N SER A 711 -3.590 7.571 -3.134 1.00 0.49 N ATOM 539 CA SER A 711 -2.139 7.417 -3.110 1.00 0.51 C ATOM 540 C SER A 711 -1.567 7.662 -1.723 1.00 0.43 C ATOM 541 O SER A 711 -0.537 7.112 -1.382 1.00 0.43 O ATOM 542 CB SER A 711 -1.466 8.332 -4.137 1.00 0.70 C ATOM 543 OG SER A 711 -1.778 9.690 -3.901 1.00 1.55 O ATOM 0 H SER A 711 -3.914 8.329 -3.735 1.00 0.49 H new ATOM 0 HA SER A 711 -1.925 6.383 -3.380 1.00 0.51 H new ATOM 0 HB2 SER A 711 -0.386 8.193 -4.097 1.00 0.70 H new ATOM 0 HB3 SER A 711 -1.787 8.053 -5.141 1.00 0.70 H new ATOM 0 HG SER A 711 -1.333 10.249 -4.572 1.00 1.55 H new ATOM 549 N GLU A 712 -2.240 8.476 -0.919 1.00 0.43 N ATOM 550 CA GLU A 712 -1.739 8.825 0.404 1.00 0.46 C ATOM 551 C GLU A 712 -1.444 7.564 1.225 1.00 0.39 C ATOM 552 O GLU A 712 -0.532 7.553 2.055 1.00 0.42 O ATOM 553 CB GLU A 712 -2.749 9.707 1.150 1.00 0.56 C ATOM 554 CG GLU A 712 -3.061 11.043 0.473 1.00 0.67 C ATOM 555 CD GLU A 712 -3.659 12.034 1.443 1.00 1.19 C ATOM 556 OE1 GLU A 712 -3.108 13.142 1.571 1.00 1.54 O ATOM 557 OE2 GLU A 712 -4.681 11.711 2.079 1.00 1.78 O ATOM 0 H GLU A 712 -3.133 8.906 -1.160 1.00 0.43 H new ATOM 0 HA GLU A 712 -0.812 9.383 0.274 1.00 0.46 H new ATOM 0 HB2 GLU A 712 -3.679 9.150 1.267 1.00 0.56 H new ATOM 0 HB3 GLU A 712 -2.367 9.904 2.152 1.00 0.56 H new ATOM 0 HG2 GLU A 712 -2.147 11.457 0.047 1.00 0.67 H new ATOM 0 HG3 GLU A 712 -3.753 10.880 -0.353 1.00 0.67 H new ATOM 564 N VAL A 713 -2.210 6.497 0.995 1.00 0.34 N ATOM 565 CA VAL A 713 -1.935 5.229 1.646 1.00 0.33 C ATOM 566 C VAL A 713 -0.653 4.606 1.095 1.00 0.29 C ATOM 567 O VAL A 713 0.154 4.088 1.853 1.00 0.29 O ATOM 568 CB VAL A 713 -3.112 4.236 1.522 1.00 0.40 C ATOM 569 CG1 VAL A 713 -4.394 4.898 1.974 1.00 0.48 C ATOM 570 CG2 VAL A 713 -3.270 3.681 0.114 1.00 0.40 C ATOM 0 H VAL A 713 -3.015 6.491 0.369 1.00 0.34 H new ATOM 0 HA VAL A 713 -1.801 5.440 2.707 1.00 0.33 H new ATOM 0 HB VAL A 713 -2.887 3.388 2.169 1.00 0.40 H new ATOM 0 HG11 VAL A 713 -5.220 4.192 1.884 1.00 0.48 H new ATOM 0 HG12 VAL A 713 -4.295 5.210 3.014 1.00 0.48 H new ATOM 0 HG13 VAL A 713 -4.593 5.770 1.351 1.00 0.48 H new ATOM 0 HG21 VAL A 713 -4.112 2.989 0.088 1.00 0.40 H new ATOM 0 HG22 VAL A 713 -3.451 4.500 -0.582 1.00 0.40 H new ATOM 0 HG23 VAL A 713 -2.360 3.155 -0.174 1.00 0.40 H new ATOM 580 N LEU A 714 -0.458 4.708 -0.223 1.00 0.33 N ATOM 581 CA LEU A 714 0.724 4.177 -0.886 1.00 0.37 C ATOM 582 C LEU A 714 1.940 4.945 -0.418 1.00 0.34 C ATOM 583 O LEU A 714 2.990 4.368 -0.120 1.00 0.37 O ATOM 584 CB LEU A 714 0.505 4.242 -2.420 1.00 0.46 C ATOM 585 CG LEU A 714 1.577 4.878 -3.336 1.00 0.45 C ATOM 586 CD1 LEU A 714 1.602 6.394 -3.263 1.00 0.64 C ATOM 587 CD2 LEU A 714 2.960 4.290 -3.113 1.00 0.84 C ATOM 0 H LEU A 714 -1.118 5.162 -0.855 1.00 0.33 H new ATOM 0 HA LEU A 714 0.895 3.131 -0.630 1.00 0.37 H new ATOM 0 HB2 LEU A 714 0.349 3.221 -2.767 1.00 0.46 H new ATOM 0 HB3 LEU A 714 -0.426 4.782 -2.590 1.00 0.46 H new ATOM 0 HG LEU A 714 1.276 4.619 -4.351 1.00 0.45 H new ATOM 0 HD11 LEU A 714 2.375 6.778 -3.928 1.00 0.64 H new ATOM 0 HD12 LEU A 714 0.633 6.789 -3.567 1.00 0.64 H new ATOM 0 HD13 LEU A 714 1.816 6.706 -2.241 1.00 0.64 H new ATOM 0 HD21 LEU A 714 3.673 4.773 -3.782 1.00 0.84 H new ATOM 0 HD22 LEU A 714 3.263 4.455 -2.079 1.00 0.84 H new ATOM 0 HD23 LEU A 714 2.938 3.220 -3.318 1.00 0.84 H new ATOM 599 N ASP A 715 1.757 6.245 -0.321 1.00 0.32 N ATOM 600 CA ASP A 715 2.813 7.148 0.045 1.00 0.34 C ATOM 601 C ASP A 715 3.366 6.744 1.398 1.00 0.32 C ATOM 602 O ASP A 715 4.566 6.839 1.661 1.00 0.36 O ATOM 603 CB ASP A 715 2.287 8.588 0.100 1.00 0.40 C ATOM 604 CG ASP A 715 2.149 9.228 -1.268 1.00 0.99 C ATOM 605 OD1 ASP A 715 1.009 9.555 -1.669 1.00 1.94 O ATOM 606 OD2 ASP A 715 3.175 9.417 -1.946 1.00 1.37 O ATOM 0 H ASP A 715 0.862 6.702 -0.496 1.00 0.32 H new ATOM 0 HA ASP A 715 3.605 7.099 -0.703 1.00 0.34 H new ATOM 0 HB2 ASP A 715 1.317 8.594 0.596 1.00 0.40 H new ATOM 0 HB3 ASP A 715 2.961 9.191 0.709 1.00 0.40 H new ATOM 611 N SER A 716 2.461 6.261 2.240 1.00 0.28 N ATOM 612 CA SER A 716 2.801 5.778 3.552 1.00 0.28 C ATOM 613 C SER A 716 3.801 4.616 3.497 1.00 0.30 C ATOM 614 O SER A 716 4.792 4.622 4.222 1.00 0.33 O ATOM 615 CB SER A 716 1.519 5.355 4.248 1.00 0.29 C ATOM 616 OG SER A 716 0.694 6.479 4.507 1.00 0.41 O ATOM 0 H SER A 716 1.467 6.197 2.021 1.00 0.28 H new ATOM 0 HA SER A 716 3.290 6.577 4.110 1.00 0.28 H new ATOM 0 HB2 SER A 716 0.981 4.639 3.627 1.00 0.29 H new ATOM 0 HB3 SER A 716 1.757 4.849 5.184 1.00 0.29 H new ATOM 0 HG SER A 716 0.297 6.794 3.668 1.00 0.41 H new ATOM 622 N LEU A 717 3.562 3.634 2.630 1.00 0.32 N ATOM 623 CA LEU A 717 4.426 2.451 2.576 1.00 0.39 C ATOM 624 C LEU A 717 5.820 2.818 2.132 1.00 0.37 C ATOM 625 O LEU A 717 6.809 2.430 2.758 1.00 0.43 O ATOM 626 CB LEU A 717 3.902 1.385 1.613 1.00 0.52 C ATOM 627 CG LEU A 717 2.554 0.783 1.977 1.00 0.75 C ATOM 628 CD1 LEU A 717 2.419 0.705 3.482 1.00 1.42 C ATOM 629 CD2 LEU A 717 1.417 1.570 1.364 1.00 1.42 C ATOM 0 H LEU A 717 2.790 3.630 1.963 1.00 0.32 H new ATOM 0 HA LEU A 717 4.435 2.048 3.589 1.00 0.39 H new ATOM 0 HB2 LEU A 717 3.828 1.823 0.618 1.00 0.52 H new ATOM 0 HB3 LEU A 717 4.636 0.581 1.554 1.00 0.52 H new ATOM 0 HG LEU A 717 2.501 -0.226 1.568 1.00 0.75 H new ATOM 0 HD11 LEU A 717 1.452 0.273 3.739 1.00 1.42 H new ATOM 0 HD12 LEU A 717 3.215 0.079 3.887 1.00 1.42 H new ATOM 0 HD13 LEU A 717 2.493 1.706 3.906 1.00 1.42 H new ATOM 0 HD21 LEU A 717 0.467 1.114 1.643 1.00 1.42 H new ATOM 0 HD22 LEU A 717 1.447 2.597 1.728 1.00 1.42 H new ATOM 0 HD23 LEU A 717 1.516 1.567 0.279 1.00 1.42 H new ATOM 641 N SER A 718 5.895 3.558 1.040 1.00 0.33 N ATOM 642 CA SER A 718 7.173 3.902 0.462 1.00 0.38 C ATOM 643 C SER A 718 8.007 4.751 1.423 1.00 0.30 C ATOM 644 O SER A 718 9.198 4.502 1.610 1.00 0.31 O ATOM 645 CB SER A 718 6.956 4.613 -0.865 1.00 0.50 C ATOM 646 OG SER A 718 6.297 3.755 -1.784 1.00 1.52 O ATOM 0 H SER A 718 5.087 3.929 0.540 1.00 0.33 H new ATOM 0 HA SER A 718 7.736 2.987 0.280 1.00 0.38 H new ATOM 0 HB2 SER A 718 6.363 5.514 -0.709 1.00 0.50 H new ATOM 0 HB3 SER A 718 7.915 4.930 -1.276 1.00 0.50 H new ATOM 0 HG SER A 718 5.957 4.282 -2.537 1.00 1.52 H new ATOM 652 N GLN A 719 7.372 5.723 2.069 1.00 0.29 N ATOM 653 CA GLN A 719 8.079 6.595 3.000 1.00 0.31 C ATOM 654 C GLN A 719 8.526 5.803 4.229 1.00 0.35 C ATOM 655 O GLN A 719 9.562 6.098 4.824 1.00 0.41 O ATOM 656 CB GLN A 719 7.209 7.784 3.408 1.00 0.37 C ATOM 657 CG GLN A 719 6.243 7.467 4.528 1.00 0.39 C ATOM 658 CD GLN A 719 5.347 8.636 4.890 1.00 0.48 C ATOM 659 OE1 GLN A 719 5.728 9.798 4.745 1.00 1.10 O ATOM 660 NE2 GLN A 719 4.159 8.338 5.390 1.00 1.35 N ATOM 0 H GLN A 719 6.378 5.926 1.967 1.00 0.29 H new ATOM 0 HA GLN A 719 8.963 6.988 2.498 1.00 0.31 H new ATOM 0 HB2 GLN A 719 7.854 8.607 3.717 1.00 0.37 H new ATOM 0 HB3 GLN A 719 6.647 8.128 2.540 1.00 0.37 H new ATOM 0 HG2 GLN A 719 5.624 6.619 4.236 1.00 0.39 H new ATOM 0 HG3 GLN A 719 6.806 7.162 5.410 1.00 0.39 H new ATOM 0 HE21 GLN A 719 3.880 7.363 5.494 1.00 1.35 H new ATOM 0 HE22 GLN A 719 3.522 9.084 5.671 1.00 1.35 H new ATOM 669 N SER A 720 7.743 4.789 4.596 1.00 0.35 N ATOM 670 CA SER A 720 8.095 3.894 5.684 1.00 0.45 C ATOM 671 C SER A 720 9.375 3.121 5.376 1.00 0.49 C ATOM 672 O SER A 720 10.070 2.663 6.278 1.00 0.60 O ATOM 673 CB SER A 720 6.946 2.927 5.916 1.00 0.50 C ATOM 674 OG SER A 720 5.806 3.610 6.409 1.00 0.51 O ATOM 0 H SER A 720 6.854 4.570 4.147 1.00 0.35 H new ATOM 0 HA SER A 720 8.275 4.486 6.582 1.00 0.45 H new ATOM 0 HB2 SER A 720 6.697 2.420 4.984 1.00 0.50 H new ATOM 0 HB3 SER A 720 7.250 2.157 6.626 1.00 0.50 H new ATOM 0 HG SER A 720 5.275 3.945 5.657 1.00 0.51 H new ATOM 680 N VAL A 721 9.677 2.992 4.096 1.00 0.45 N ATOM 681 CA VAL A 721 10.841 2.252 3.645 1.00 0.54 C ATOM 682 C VAL A 721 12.004 3.195 3.330 1.00 0.53 C ATOM 683 O VAL A 721 13.127 2.768 3.072 1.00 0.67 O ATOM 684 CB VAL A 721 10.449 1.370 2.435 1.00 0.58 C ATOM 685 CG1 VAL A 721 11.617 1.020 1.532 1.00 0.65 C ATOM 686 CG2 VAL A 721 9.792 0.113 2.947 1.00 0.70 C ATOM 0 H VAL A 721 9.123 3.397 3.341 1.00 0.45 H new ATOM 0 HA VAL A 721 11.189 1.596 4.443 1.00 0.54 H new ATOM 0 HB VAL A 721 9.761 1.949 1.819 1.00 0.58 H new ATOM 0 HG11 VAL A 721 11.266 0.401 0.707 1.00 0.65 H new ATOM 0 HG12 VAL A 721 12.058 1.935 1.137 1.00 0.65 H new ATOM 0 HG13 VAL A 721 12.367 0.473 2.103 1.00 0.65 H new ATOM 0 HG21 VAL A 721 9.510 -0.519 2.105 1.00 0.70 H new ATOM 0 HG22 VAL A 721 10.489 -0.427 3.588 1.00 0.70 H new ATOM 0 HG23 VAL A 721 8.901 0.375 3.518 1.00 0.70 H new ATOM 696 N HIS A 722 11.736 4.491 3.449 1.00 0.44 N ATOM 697 CA HIS A 722 12.741 5.519 3.186 1.00 0.50 C ATOM 698 C HIS A 722 13.108 5.487 1.711 1.00 0.47 C ATOM 699 O HIS A 722 14.240 5.747 1.306 1.00 0.60 O ATOM 700 CB HIS A 722 13.984 5.304 4.068 1.00 0.69 C ATOM 701 CG HIS A 722 14.846 6.523 4.215 1.00 1.37 C ATOM 702 ND1 HIS A 722 15.898 6.825 3.376 1.00 2.03 N ATOM 703 CD2 HIS A 722 14.796 7.528 5.121 1.00 2.30 C ATOM 704 CE1 HIS A 722 16.454 7.958 3.762 1.00 2.74 C ATOM 705 NE2 HIS A 722 15.802 8.404 4.816 1.00 2.91 N ATOM 0 H HIS A 722 10.826 4.858 3.728 1.00 0.44 H new ATOM 0 HA HIS A 722 12.331 6.499 3.432 1.00 0.50 H new ATOM 0 HB2 HIS A 722 13.663 4.977 5.057 1.00 0.69 H new ATOM 0 HB3 HIS A 722 14.582 4.497 3.644 1.00 0.69 H new ATOM 0 HD1 HIS A 722 16.199 6.261 2.581 1.00 2.03 H new ATOM 0 HD2 HIS A 722 14.092 7.621 5.935 1.00 2.30 H new ATOM 0 HE1 HIS A 722 17.300 8.438 3.293 1.00 2.74 H new ATOM 714 N VAL A 723 12.110 5.151 0.921 1.00 0.36 N ATOM 715 CA VAL A 723 12.206 5.187 -0.515 1.00 0.39 C ATOM 716 C VAL A 723 11.161 6.155 -1.045 1.00 0.36 C ATOM 717 O VAL A 723 10.154 6.412 -0.384 1.00 0.34 O ATOM 718 CB VAL A 723 11.986 3.790 -1.144 1.00 0.47 C ATOM 719 CG1 VAL A 723 10.535 3.338 -1.008 1.00 0.41 C ATOM 720 CG2 VAL A 723 12.423 3.788 -2.596 1.00 0.62 C ATOM 0 H VAL A 723 11.201 4.842 1.266 1.00 0.36 H new ATOM 0 HA VAL A 723 13.210 5.513 -0.786 1.00 0.39 H new ATOM 0 HB VAL A 723 12.601 3.075 -0.598 1.00 0.47 H new ATOM 0 HG11 VAL A 723 10.417 2.353 -1.460 1.00 0.41 H new ATOM 0 HG12 VAL A 723 10.267 3.287 0.047 1.00 0.41 H new ATOM 0 HG13 VAL A 723 9.883 4.050 -1.514 1.00 0.41 H new ATOM 0 HG21 VAL A 723 12.262 2.798 -3.023 1.00 0.62 H new ATOM 0 HG22 VAL A 723 11.841 4.523 -3.152 1.00 0.62 H new ATOM 0 HG23 VAL A 723 13.481 4.042 -2.658 1.00 0.62 H new ATOM 730 N LYS A 724 11.420 6.718 -2.209 1.00 0.45 N ATOM 731 CA LYS A 724 10.453 7.578 -2.863 1.00 0.52 C ATOM 732 C LYS A 724 9.171 6.799 -3.148 1.00 0.44 C ATOM 733 O LYS A 724 9.218 5.605 -3.453 1.00 0.37 O ATOM 734 CB LYS A 724 11.053 8.142 -4.152 1.00 0.67 C ATOM 735 CG LYS A 724 12.088 9.229 -3.900 1.00 1.41 C ATOM 736 CD LYS A 724 13.349 9.026 -4.723 1.00 1.48 C ATOM 737 CE LYS A 724 14.218 7.917 -4.152 1.00 0.91 C ATOM 738 NZ LYS A 724 15.457 7.718 -4.950 1.00 1.46 N ATOM 0 H LYS A 724 12.293 6.595 -2.722 1.00 0.45 H new ATOM 0 HA LYS A 724 10.204 8.412 -2.207 1.00 0.52 H new ATOM 0 HB2 LYS A 724 11.515 7.332 -4.716 1.00 0.67 H new ATOM 0 HB3 LYS A 724 10.253 8.546 -4.772 1.00 0.67 H new ATOM 0 HG2 LYS A 724 11.655 10.201 -4.136 1.00 1.41 H new ATOM 0 HG3 LYS A 724 12.346 9.243 -2.841 1.00 1.41 H new ATOM 0 HD2 LYS A 724 13.078 8.784 -5.751 1.00 1.48 H new ATOM 0 HD3 LYS A 724 13.918 9.955 -4.754 1.00 1.48 H new ATOM 0 HE2 LYS A 724 14.484 8.157 -3.123 1.00 0.91 H new ATOM 0 HE3 LYS A 724 13.650 6.987 -4.126 1.00 0.91 H new ATOM 0 HZ1 LYS A 724 16.113 7.105 -4.425 1.00 1.46 H new ATOM 0 HZ2 LYS A 724 15.217 7.271 -5.858 1.00 1.46 H new ATOM 0 HZ3 LYS A 724 15.908 8.638 -5.126 1.00 1.46 H new ATOM 752 N PRO A 725 8.015 7.489 -3.021 1.00 0.52 N ATOM 753 CA PRO A 725 6.660 6.904 -3.105 1.00 0.54 C ATOM 754 C PRO A 725 6.472 5.878 -4.218 1.00 0.49 C ATOM 755 O PRO A 725 5.640 4.985 -4.112 1.00 0.54 O ATOM 756 CB PRO A 725 5.781 8.122 -3.364 1.00 0.68 C ATOM 757 CG PRO A 725 6.471 9.230 -2.656 1.00 0.83 C ATOM 758 CD PRO A 725 7.944 8.947 -2.780 1.00 0.67 C ATOM 0 HA PRO A 725 6.427 6.343 -2.200 1.00 0.54 H new ATOM 0 HB2 PRO A 725 5.690 8.327 -4.431 1.00 0.68 H new ATOM 0 HB3 PRO A 725 4.772 7.973 -2.981 1.00 0.68 H new ATOM 0 HG2 PRO A 725 6.220 10.193 -3.100 1.00 0.83 H new ATOM 0 HG3 PRO A 725 6.169 9.273 -1.610 1.00 0.83 H new ATOM 0 HD2 PRO A 725 8.390 9.508 -3.601 1.00 0.67 H new ATOM 0 HD3 PRO A 725 8.481 9.227 -1.874 1.00 0.67 H new ATOM 766 N GLU A 726 7.254 6.015 -5.264 1.00 0.44 N ATOM 767 CA GLU A 726 7.082 5.259 -6.495 1.00 0.48 C ATOM 768 C GLU A 726 7.208 3.746 -6.330 1.00 0.51 C ATOM 769 O GLU A 726 6.835 2.996 -7.235 1.00 0.62 O ATOM 770 CB GLU A 726 8.155 5.660 -7.494 1.00 0.45 C ATOM 771 CG GLU A 726 8.814 7.008 -7.238 1.00 0.67 C ATOM 772 CD GLU A 726 7.859 8.175 -7.350 1.00 1.53 C ATOM 773 OE1 GLU A 726 7.499 8.758 -6.311 1.00 2.38 O ATOM 774 OE2 GLU A 726 7.469 8.520 -8.483 1.00 1.89 O ATOM 0 H GLU A 726 8.041 6.663 -5.289 1.00 0.44 H new ATOM 0 HA GLU A 726 6.070 5.490 -6.826 1.00 0.48 H new ATOM 0 HB2 GLU A 726 8.928 4.892 -7.499 1.00 0.45 H new ATOM 0 HB3 GLU A 726 7.713 5.674 -8.490 1.00 0.45 H new ATOM 0 HG2 GLU A 726 9.256 7.004 -6.242 1.00 0.67 H new ATOM 0 HG3 GLU A 726 9.629 7.146 -7.948 1.00 0.67 H new ATOM 781 N ASN A 727 7.717 3.283 -5.203 1.00 0.45 N ATOM 782 CA ASN A 727 8.224 1.917 -5.160 1.00 0.48 C ATOM 783 C ASN A 727 7.146 0.863 -4.909 1.00 0.48 C ATOM 784 O ASN A 727 7.299 -0.274 -5.364 1.00 0.52 O ATOM 785 CB ASN A 727 9.268 1.786 -4.056 1.00 0.51 C ATOM 786 CG ASN A 727 10.294 0.707 -4.332 1.00 1.11 C ATOM 787 OD1 ASN A 727 10.115 -0.451 -3.957 1.00 1.74 O ATOM 788 ND2 ASN A 727 11.382 1.077 -4.980 1.00 1.84 N ATOM 0 H ASN A 727 7.791 3.808 -4.332 1.00 0.45 H new ATOM 0 HA ASN A 727 8.648 1.731 -6.147 1.00 0.48 H new ATOM 0 HB2 ASN A 727 9.779 2.741 -3.932 1.00 0.51 H new ATOM 0 HB3 ASN A 727 8.766 1.568 -3.113 1.00 0.51 H new ATOM 0 HD21 ASN A 727 12.110 0.393 -5.186 1.00 1.84 H new ATOM 0 HD22 ASN A 727 11.495 2.047 -5.275 1.00 1.84 H new ATOM 795 N LEU A 728 6.049 1.201 -4.236 1.00 0.48 N ATOM 796 CA LEU A 728 5.012 0.205 -3.995 1.00 0.47 C ATOM 797 C LEU A 728 3.660 0.626 -4.525 1.00 0.47 C ATOM 798 O LEU A 728 3.172 1.682 -4.182 1.00 0.63 O ATOM 799 CB LEU A 728 4.838 0.021 -2.496 1.00 0.70 C ATOM 800 CG LEU A 728 5.958 -0.682 -1.727 1.00 1.26 C ATOM 801 CD1 LEU A 728 7.022 -1.276 -2.628 1.00 1.83 C ATOM 802 CD2 LEU A 728 6.585 0.273 -0.725 1.00 1.87 C ATOM 0 H LEU A 728 5.859 2.129 -3.858 1.00 0.48 H new ATOM 0 HA LEU A 728 5.334 -0.704 -4.503 1.00 0.47 H new ATOM 0 HB2 LEU A 728 4.695 1.006 -2.052 1.00 0.70 H new ATOM 0 HB3 LEU A 728 3.917 -0.539 -2.332 1.00 0.70 H new ATOM 0 HG LEU A 728 5.498 -1.519 -1.201 1.00 1.26 H new ATOM 0 HD11 LEU A 728 7.786 -1.759 -2.019 1.00 1.83 H new ATOM 0 HD12 LEU A 728 6.568 -2.012 -3.292 1.00 1.83 H new ATOM 0 HD13 LEU A 728 7.479 -0.485 -3.222 1.00 1.83 H new ATOM 0 HD21 LEU A 728 7.381 -0.239 -0.184 1.00 1.87 H new ATOM 0 HD22 LEU A 728 6.999 1.133 -1.252 1.00 1.87 H new ATOM 0 HD23 LEU A 728 5.826 0.611 -0.020 1.00 1.87 H new ATOM 814 N ARG A 729 3.037 -0.202 -5.345 1.00 0.36 N ATOM 815 CA ARG A 729 1.597 -0.123 -5.540 1.00 0.41 C ATOM 816 C ARG A 729 1.019 -1.456 -6.021 1.00 0.32 C ATOM 817 O ARG A 729 1.320 -1.891 -7.120 1.00 0.34 O ATOM 818 CB ARG A 729 1.267 1.000 -6.530 1.00 0.56 C ATOM 819 CG ARG A 729 2.399 1.344 -7.503 1.00 0.70 C ATOM 820 CD ARG A 729 2.823 0.158 -8.359 1.00 0.54 C ATOM 821 NE ARG A 729 1.804 -0.203 -9.337 1.00 1.21 N ATOM 822 CZ ARG A 729 1.997 -0.174 -10.652 1.00 1.75 C ATOM 823 NH1 ARG A 729 3.147 0.269 -11.149 1.00 2.18 N ATOM 824 NH2 ARG A 729 1.034 -0.569 -11.473 1.00 2.58 N ATOM 0 H ARG A 729 3.501 -0.933 -5.884 1.00 0.36 H new ATOM 0 HA ARG A 729 1.135 0.101 -4.578 1.00 0.41 H new ATOM 0 HB2 ARG A 729 0.386 0.713 -7.104 1.00 0.56 H new ATOM 0 HB3 ARG A 729 1.003 1.896 -5.968 1.00 0.56 H new ATOM 0 HG2 ARG A 729 2.079 2.159 -8.152 1.00 0.70 H new ATOM 0 HG3 ARG A 729 3.259 1.705 -6.939 1.00 0.70 H new ATOM 0 HD2 ARG A 729 3.752 0.398 -8.876 1.00 0.54 H new ATOM 0 HD3 ARG A 729 3.028 -0.698 -7.716 1.00 0.54 H new ATOM 0 HE ARG A 729 0.890 -0.495 -8.992 1.00 1.21 H new ATOM 0 HH11 ARG A 729 3.885 0.588 -10.521 1.00 2.18 H new ATOM 0 HH12 ARG A 729 3.292 0.290 -12.158 1.00 2.18 H new ATOM 0 HH21 ARG A 729 0.144 -0.895 -11.096 1.00 2.58 H new ATOM 0 HH22 ARG A 729 1.183 -0.546 -12.482 1.00 2.58 H new ATOM 838 N LEU A 730 0.229 -2.136 -5.214 1.00 0.32 N ATOM 839 CA LEU A 730 -0.638 -3.185 -5.741 1.00 0.34 C ATOM 840 C LEU A 730 -1.816 -3.402 -4.832 1.00 0.42 C ATOM 841 O LEU A 730 -1.603 -4.055 -3.846 1.00 0.73 O ATOM 842 CB LEU A 730 0.142 -4.479 -5.769 1.00 0.37 C ATOM 843 CG LEU A 730 -0.560 -5.616 -6.500 1.00 0.53 C ATOM 844 CD1 LEU A 730 -0.899 -5.214 -7.929 1.00 1.23 C ATOM 845 CD2 LEU A 730 0.301 -6.859 -6.495 1.00 1.22 C ATOM 0 H LEU A 730 0.165 -1.989 -4.207 1.00 0.32 H new ATOM 0 HA LEU A 730 -0.980 -2.890 -6.733 1.00 0.34 H new ATOM 0 HB2 LEU A 730 1.107 -4.298 -6.243 1.00 0.37 H new ATOM 0 HB3 LEU A 730 0.344 -4.791 -4.744 1.00 0.37 H new ATOM 0 HG LEU A 730 -1.491 -5.833 -5.976 1.00 0.53 H new ATOM 0 HD11 LEU A 730 -1.400 -6.042 -8.431 1.00 1.23 H new ATOM 0 HD12 LEU A 730 -1.558 -4.346 -7.916 1.00 1.23 H new ATOM 0 HD13 LEU A 730 0.018 -4.966 -8.464 1.00 1.23 H new ATOM 0 HD21 LEU A 730 -0.216 -7.662 -7.021 1.00 1.22 H new ATOM 0 HD22 LEU A 730 1.247 -6.648 -6.994 1.00 1.22 H new ATOM 0 HD23 LEU A 730 0.493 -7.164 -5.466 1.00 1.22 H new ATOM 857 N ALA A 731 -3.054 -3.078 -5.156 1.00 0.34 N ATOM 858 CA ALA A 731 -4.046 -3.229 -4.121 1.00 0.37 C ATOM 859 C ALA A 731 -5.046 -4.328 -4.432 1.00 0.37 C ATOM 860 O ALA A 731 -5.865 -4.188 -5.325 1.00 0.50 O ATOM 861 CB ALA A 731 -4.756 -1.903 -3.899 1.00 0.46 C ATOM 0 H ALA A 731 -3.377 -2.733 -6.060 1.00 0.34 H new ATOM 0 HA ALA A 731 -3.531 -3.526 -3.207 1.00 0.37 H new ATOM 0 HB1 ALA A 731 -5.506 -2.018 -3.116 1.00 0.46 H new ATOM 0 HB2 ALA A 731 -4.030 -1.148 -3.598 1.00 0.46 H new ATOM 0 HB3 ALA A 731 -5.242 -1.591 -4.824 1.00 0.46 H new ATOM 867 N GLU A 732 -5.060 -5.352 -3.587 1.00 0.39 N ATOM 868 CA GLU A 732 -5.945 -6.482 -3.754 1.00 0.46 C ATOM 869 C GLU A 732 -6.804 -6.705 -2.531 1.00 0.57 C ATOM 870 O GLU A 732 -6.310 -6.910 -1.434 1.00 0.66 O ATOM 871 CB GLU A 732 -5.122 -7.729 -4.053 1.00 0.66 C ATOM 872 CG GLU A 732 -4.196 -8.173 -2.931 1.00 0.76 C ATOM 873 CD GLU A 732 -3.464 -9.449 -3.286 1.00 0.78 C ATOM 874 OE1 GLU A 732 -2.495 -9.371 -4.070 1.00 1.02 O ATOM 875 OE2 GLU A 732 -3.860 -10.531 -2.801 1.00 1.19 O ATOM 0 H GLU A 732 -4.455 -5.416 -2.768 1.00 0.39 H new ATOM 0 HA GLU A 732 -6.614 -6.271 -4.588 1.00 0.46 H new ATOM 0 HB2 GLU A 732 -5.803 -8.548 -4.287 1.00 0.66 H new ATOM 0 HB3 GLU A 732 -4.524 -7.546 -4.946 1.00 0.66 H new ATOM 0 HG2 GLU A 732 -3.473 -7.384 -2.721 1.00 0.76 H new ATOM 0 HG3 GLU A 732 -4.774 -8.326 -2.020 1.00 0.76 H new ATOM 882 N VAL A 733 -8.096 -6.731 -2.753 1.00 0.69 N ATOM 883 CA VAL A 733 -9.059 -6.768 -1.670 1.00 0.90 C ATOM 884 C VAL A 733 -9.202 -8.178 -1.117 1.00 1.17 C ATOM 885 O VAL A 733 -9.159 -9.142 -1.870 1.00 1.35 O ATOM 886 CB VAL A 733 -10.436 -6.262 -2.128 1.00 1.19 C ATOM 887 CG1 VAL A 733 -11.117 -5.584 -0.974 1.00 1.64 C ATOM 888 CG2 VAL A 733 -10.326 -5.312 -3.314 1.00 1.64 C ATOM 0 H VAL A 733 -8.512 -6.727 -3.684 1.00 0.69 H new ATOM 0 HA VAL A 733 -8.684 -6.110 -0.886 1.00 0.90 H new ATOM 0 HB VAL A 733 -11.026 -7.117 -2.458 1.00 1.19 H new ATOM 0 HG11 VAL A 733 -12.095 -5.222 -1.291 1.00 1.64 H new ATOM 0 HG12 VAL A 733 -11.240 -6.294 -0.156 1.00 1.64 H new ATOM 0 HG13 VAL A 733 -10.511 -4.743 -0.637 1.00 1.64 H new ATOM 0 HG21 VAL A 733 -11.322 -4.978 -3.606 1.00 1.64 H new ATOM 0 HG22 VAL A 733 -9.721 -4.449 -3.034 1.00 1.64 H new ATOM 0 HG23 VAL A 733 -9.856 -5.828 -4.151 1.00 1.64 H new ATOM 898 N ILE A 734 -9.319 -8.313 0.198 1.00 1.30 N ATOM 899 CA ILE A 734 -9.577 -9.625 0.779 1.00 1.65 C ATOM 900 C ILE A 734 -10.989 -9.667 1.354 1.00 1.93 C ATOM 901 O ILE A 734 -11.298 -8.934 2.299 1.00 2.17 O ATOM 902 CB ILE A 734 -8.575 -9.961 1.906 1.00 1.81 C ATOM 903 CG1 ILE A 734 -7.138 -9.646 1.472 1.00 1.91 C ATOM 904 CG2 ILE A 734 -8.704 -11.424 2.313 1.00 2.43 C ATOM 905 CD1 ILE A 734 -6.663 -10.450 0.282 1.00 2.42 C ATOM 0 H ILE A 734 -9.242 -7.549 0.870 1.00 1.30 H new ATOM 0 HA ILE A 734 -9.464 -10.361 -0.017 1.00 1.65 H new ATOM 0 HB ILE A 734 -8.811 -9.339 2.769 1.00 1.81 H new ATOM 0 HG12 ILE A 734 -7.066 -8.585 1.232 1.00 1.91 H new ATOM 0 HG13 ILE A 734 -6.468 -9.829 2.312 1.00 1.91 H new ATOM 0 HG21 ILE A 734 -7.991 -11.645 3.108 1.00 2.43 H new ATOM 0 HG22 ILE A 734 -9.716 -11.614 2.670 1.00 2.43 H new ATOM 0 HG23 ILE A 734 -8.497 -12.061 1.453 1.00 2.43 H new ATOM 0 HD11 ILE A 734 -5.639 -10.168 0.038 1.00 2.42 H new ATOM 0 HD12 ILE A 734 -6.700 -11.512 0.523 1.00 2.42 H new ATOM 0 HD13 ILE A 734 -7.308 -10.249 -0.574 1.00 2.42 H new ATOM 917 N LYS A 735 -11.811 -10.544 0.771 1.00 2.29 N ATOM 918 CA LYS A 735 -13.213 -10.759 1.137 1.00 2.61 C ATOM 919 C LYS A 735 -13.919 -11.362 -0.071 1.00 2.77 C ATOM 920 O LYS A 735 -13.273 -11.999 -0.898 1.00 2.76 O ATOM 921 CB LYS A 735 -13.902 -9.456 1.567 1.00 2.76 C ATOM 922 CG LYS A 735 -15.004 -9.661 2.602 1.00 3.27 C ATOM 923 CD LYS A 735 -14.641 -10.749 3.610 1.00 3.69 C ATOM 924 CE LYS A 735 -13.263 -10.537 4.224 1.00 3.70 C ATOM 925 NZ LYS A 735 -12.875 -11.672 5.103 1.00 4.16 N ATOM 0 H LYS A 735 -11.508 -11.145 0.004 1.00 2.29 H new ATOM 0 HA LYS A 735 -13.263 -11.432 1.993 1.00 2.61 H new ATOM 0 HB2 LYS A 735 -13.154 -8.777 1.975 1.00 2.76 H new ATOM 0 HB3 LYS A 735 -14.326 -8.972 0.688 1.00 2.76 H new ATOM 0 HG2 LYS A 735 -15.187 -8.724 3.129 1.00 3.27 H new ATOM 0 HG3 LYS A 735 -15.932 -9.929 2.097 1.00 3.27 H new ATOM 0 HD2 LYS A 735 -15.389 -10.770 4.402 1.00 3.69 H new ATOM 0 HD3 LYS A 735 -14.670 -11.721 3.118 1.00 3.69 H new ATOM 0 HE2 LYS A 735 -12.524 -10.421 3.431 1.00 3.70 H new ATOM 0 HE3 LYS A 735 -13.259 -9.612 4.800 1.00 3.70 H new ATOM 0 HZ1 LYS A 735 -11.932 -11.494 5.504 1.00 4.16 H new ATOM 0 HZ2 LYS A 735 -13.567 -11.766 5.874 1.00 4.16 H new ATOM 0 HZ3 LYS A 735 -12.855 -12.551 4.547 1.00 4.16 H new ATOM 939 N ASN A 736 -15.233 -11.175 -0.174 1.00 3.04 N ATOM 940 CA ASN A 736 -15.959 -11.547 -1.389 1.00 3.32 C ATOM 941 C ASN A 736 -15.361 -10.792 -2.579 1.00 3.14 C ATOM 942 O ASN A 736 -15.299 -11.301 -3.700 1.00 3.36 O ATOM 943 CB ASN A 736 -17.449 -11.230 -1.241 1.00 3.66 C ATOM 944 CG ASN A 736 -18.267 -11.648 -2.451 1.00 4.18 C ATOM 945 OD1 ASN A 736 -17.930 -12.603 -3.153 1.00 4.64 O ATOM 946 ND2 ASN A 736 -19.355 -10.936 -2.695 1.00 4.60 N ATOM 0 H ASN A 736 -15.814 -10.772 0.561 1.00 3.04 H new ATOM 0 HA ASN A 736 -15.861 -12.620 -1.557 1.00 3.32 H new ATOM 0 HB2 ASN A 736 -17.836 -11.734 -0.356 1.00 3.66 H new ATOM 0 HB3 ASN A 736 -17.573 -10.159 -1.078 1.00 3.66 H new ATOM 0 HD21 ASN A 736 -19.950 -11.170 -3.489 1.00 4.60 H new ATOM 0 HD22 ASN A 736 -19.598 -10.153 -2.089 1.00 4.60 H new ATOM 953 N ARG A 737 -14.937 -9.565 -2.312 1.00 2.79 N ATOM 954 CA ARG A 737 -14.085 -8.824 -3.227 1.00 2.61 C ATOM 955 C ARG A 737 -12.678 -9.420 -3.202 1.00 2.47 C ATOM 956 O ARG A 737 -11.860 -9.063 -2.360 1.00 3.05 O ATOM 957 CB ARG A 737 -14.075 -7.332 -2.843 1.00 2.49 C ATOM 958 CG ARG A 737 -14.113 -7.070 -1.344 1.00 2.59 C ATOM 959 CD ARG A 737 -14.587 -5.655 -1.046 1.00 3.00 C ATOM 960 NE ARG A 737 -14.080 -5.157 0.234 1.00 3.54 N ATOM 961 CZ ARG A 737 -14.800 -4.460 1.109 1.00 4.23 C ATOM 962 NH1 ARG A 737 -16.105 -4.291 0.928 1.00 4.51 N ATOM 963 NH2 ARG A 737 -14.209 -3.944 2.176 1.00 4.95 N ATOM 0 H ARG A 737 -15.173 -9.058 -1.459 1.00 2.79 H new ATOM 0 HA ARG A 737 -14.472 -8.902 -4.243 1.00 2.61 H new ATOM 0 HB2 ARG A 737 -13.180 -6.868 -3.258 1.00 2.49 H new ATOM 0 HB3 ARG A 737 -14.932 -6.844 -3.307 1.00 2.49 H new ATOM 0 HG2 ARG A 737 -14.777 -7.788 -0.863 1.00 2.59 H new ATOM 0 HG3 ARG A 737 -13.120 -7.221 -0.920 1.00 2.59 H new ATOM 0 HD2 ARG A 737 -14.263 -4.990 -1.846 1.00 3.00 H new ATOM 0 HD3 ARG A 737 -15.677 -5.634 -1.036 1.00 3.00 H new ATOM 0 HE ARG A 737 -13.109 -5.358 0.471 1.00 3.54 H new ATOM 0 HH11 ARG A 737 -16.564 -4.697 0.113 1.00 4.51 H new ATOM 0 HH12 ARG A 737 -16.649 -3.755 1.605 1.00 4.51 H new ATOM 0 HH21 ARG A 737 -13.209 -4.082 2.322 1.00 4.95 H new ATOM 0 HH22 ARG A 737 -14.754 -3.408 2.852 1.00 4.95 H new ATOM 977 N PHE A 738 -12.419 -10.357 -4.112 1.00 2.24 N ATOM 978 CA PHE A 738 -11.156 -11.096 -4.128 1.00 2.27 C ATOM 979 C PHE A 738 -10.108 -10.423 -5.003 1.00 2.12 C ATOM 980 O PHE A 738 -10.322 -10.227 -6.203 1.00 2.16 O ATOM 981 CB PHE A 738 -11.366 -12.527 -4.632 1.00 2.70 C ATOM 982 CG PHE A 738 -12.039 -13.444 -3.654 1.00 3.11 C ATOM 983 CD1 PHE A 738 -13.388 -13.740 -3.779 1.00 3.38 C ATOM 984 CD2 PHE A 738 -11.331 -13.999 -2.601 1.00 3.68 C ATOM 985 CE1 PHE A 738 -14.015 -14.575 -2.872 1.00 4.26 C ATOM 986 CE2 PHE A 738 -11.952 -14.834 -1.693 1.00 4.52 C ATOM 987 CZ PHE A 738 -13.277 -15.162 -1.855 1.00 4.83 C ATOM 0 H PHE A 738 -13.069 -10.624 -4.851 1.00 2.24 H new ATOM 0 HA PHE A 738 -10.797 -11.111 -3.099 1.00 2.27 H new ATOM 0 HB2 PHE A 738 -11.960 -12.492 -5.545 1.00 2.70 H new ATOM 0 HB3 PHE A 738 -10.397 -12.950 -4.898 1.00 2.70 H new ATOM 0 HD1 PHE A 738 -13.955 -13.314 -4.593 1.00 3.38 H new ATOM 0 HD2 PHE A 738 -10.280 -13.776 -2.489 1.00 3.68 H new ATOM 0 HE1 PHE A 738 -15.074 -14.769 -2.955 1.00 4.26 H new ATOM 0 HE2 PHE A 738 -11.396 -15.229 -0.855 1.00 4.52 H new ATOM 0 HZ PHE A 738 -13.743 -15.876 -1.191 1.00 4.83 H new ATOM 997 N HIS A 739 -8.976 -10.080 -4.386 1.00 2.05 N ATOM 998 CA HIS A 739 -7.791 -9.590 -5.097 1.00 2.04 C ATOM 999 C HIS A 739 -8.054 -8.247 -5.769 1.00 1.03 C ATOM 1000 O HIS A 739 -9.138 -7.688 -5.615 1.00 1.01 O ATOM 1001 CB HIS A 739 -7.318 -10.606 -6.143 1.00 2.97 C ATOM 1002 CG HIS A 739 -6.741 -11.867 -5.573 1.00 3.97 C ATOM 1003 ND1 HIS A 739 -5.471 -12.313 -5.870 1.00 4.79 N ATOM 1004 CD2 HIS A 739 -7.278 -12.795 -4.748 1.00 4.68 C ATOM 1005 CE1 HIS A 739 -5.252 -13.457 -5.249 1.00 5.74 C ATOM 1006 NE2 HIS A 739 -6.334 -13.769 -4.564 1.00 5.71 N ATOM 0 H HIS A 739 -8.854 -10.134 -3.375 1.00 2.05 H new ATOM 0 HA HIS A 739 -7.007 -9.455 -4.352 1.00 2.04 H new ATOM 0 HB2 HIS A 739 -8.160 -10.865 -6.785 1.00 2.97 H new ATOM 0 HB3 HIS A 739 -6.568 -10.133 -6.777 1.00 2.97 H new ATOM 0 HD2 HIS A 739 -8.267 -12.772 -4.315 1.00 4.68 H new ATOM 0 HE1 HIS A 739 -4.342 -14.038 -5.294 1.00 5.74 H new ATOM 0 HE2 HIS A 739 -6.449 -14.603 -3.989 1.00 5.71 H new ATOM 1015 N ARG A 740 -7.006 -7.728 -6.436 1.00 0.94 N ATOM 1016 CA ARG A 740 -7.053 -6.537 -7.307 1.00 1.03 C ATOM 1017 C ARG A 740 -5.661 -5.898 -7.407 1.00 0.82 C ATOM 1018 O ARG A 740 -4.659 -6.468 -6.964 1.00 1.05 O ATOM 1019 CB ARG A 740 -8.057 -5.469 -6.831 1.00 2.21 C ATOM 1020 CG ARG A 740 -9.434 -5.583 -7.474 1.00 3.05 C ATOM 1021 CD ARG A 740 -10.396 -4.541 -6.929 1.00 4.00 C ATOM 1022 NE ARG A 740 -11.783 -4.826 -7.304 1.00 4.84 N ATOM 1023 CZ ARG A 740 -12.768 -3.926 -7.278 1.00 5.81 C ATOM 1024 NH1 ARG A 740 -12.523 -2.667 -6.928 1.00 6.12 N ATOM 1025 NH2 ARG A 740 -13.997 -4.292 -7.607 1.00 6.71 N ATOM 0 H ARG A 740 -6.074 -8.138 -6.382 1.00 0.94 H new ATOM 0 HA ARG A 740 -7.389 -6.891 -8.282 1.00 1.03 H new ATOM 0 HB2 ARG A 740 -8.165 -5.543 -5.749 1.00 2.21 H new ATOM 0 HB3 ARG A 740 -7.649 -4.481 -7.043 1.00 2.21 H new ATOM 0 HG2 ARG A 740 -9.343 -5.465 -8.554 1.00 3.05 H new ATOM 0 HG3 ARG A 740 -9.838 -6.580 -7.296 1.00 3.05 H new ATOM 0 HD2 ARG A 740 -10.314 -4.505 -5.843 1.00 4.00 H new ATOM 0 HD3 ARG A 740 -10.114 -3.557 -7.303 1.00 4.00 H new ATOM 0 HE ARG A 740 -12.011 -5.774 -7.604 1.00 4.84 H new ATOM 0 HH11 ARG A 740 -11.576 -2.383 -6.677 1.00 6.12 H new ATOM 0 HH12 ARG A 740 -13.282 -1.986 -6.911 1.00 6.12 H new ATOM 0 HH21 ARG A 740 -14.186 -5.257 -7.878 1.00 6.71 H new ATOM 0 HH22 ARG A 740 -14.754 -3.609 -7.589 1.00 6.71 H new ATOM 1039 N VAL A 741 -5.665 -4.649 -7.850 1.00 0.58 N ATOM 1040 CA VAL A 741 -4.487 -3.888 -8.234 1.00 0.46 C ATOM 1041 C VAL A 741 -4.585 -2.524 -7.573 1.00 0.43 C ATOM 1042 O VAL A 741 -5.641 -2.172 -7.091 1.00 0.46 O ATOM 1043 CB VAL A 741 -4.391 -3.712 -9.759 1.00 0.47 C ATOM 1044 CG1 VAL A 741 -4.001 -5.017 -10.428 1.00 1.38 C ATOM 1045 CG2 VAL A 741 -5.702 -3.189 -10.325 1.00 1.06 C ATOM 0 H VAL A 741 -6.528 -4.116 -7.956 1.00 0.58 H new ATOM 0 HA VAL A 741 -3.595 -4.425 -7.913 1.00 0.46 H new ATOM 0 HB VAL A 741 -3.613 -2.977 -9.967 1.00 0.47 H new ATOM 0 HG11 VAL A 741 -3.939 -4.869 -11.506 1.00 1.38 H new ATOM 0 HG12 VAL A 741 -3.032 -5.344 -10.050 1.00 1.38 H new ATOM 0 HG13 VAL A 741 -4.751 -5.777 -10.209 1.00 1.38 H new ATOM 0 HG21 VAL A 741 -5.611 -3.072 -11.405 1.00 1.06 H new ATOM 0 HG22 VAL A 741 -6.502 -3.895 -10.102 1.00 1.06 H new ATOM 0 HG23 VAL A 741 -5.934 -2.224 -9.874 1.00 1.06 H new ATOM 1055 N PHE A 742 -3.499 -1.785 -7.440 1.00 0.42 N ATOM 1056 CA PHE A 742 -3.593 -0.513 -6.743 1.00 0.42 C ATOM 1057 C PHE A 742 -4.402 0.463 -7.572 1.00 0.45 C ATOM 1058 O PHE A 742 -3.976 0.921 -8.632 1.00 0.55 O ATOM 1059 CB PHE A 742 -2.221 0.064 -6.426 1.00 0.56 C ATOM 1060 CG PHE A 742 -2.249 0.972 -5.237 1.00 0.46 C ATOM 1061 CD1 PHE A 742 -1.718 0.536 -4.044 1.00 1.03 C ATOM 1062 CD2 PHE A 742 -2.820 2.239 -5.296 1.00 0.72 C ATOM 1063 CE1 PHE A 742 -1.747 1.338 -2.923 1.00 1.44 C ATOM 1064 CE2 PHE A 742 -2.850 3.047 -4.179 1.00 0.75 C ATOM 1065 CZ PHE A 742 -2.313 2.597 -2.991 1.00 1.13 C ATOM 0 H PHE A 742 -2.573 -2.029 -7.790 1.00 0.42 H new ATOM 0 HA PHE A 742 -4.095 -0.686 -5.791 1.00 0.42 H new ATOM 0 HB2 PHE A 742 -1.520 -0.750 -6.242 1.00 0.56 H new ATOM 0 HB3 PHE A 742 -1.851 0.614 -7.292 1.00 0.56 H new ATOM 0 HD1 PHE A 742 -1.273 -0.446 -3.986 1.00 1.03 H new ATOM 0 HD2 PHE A 742 -3.243 2.593 -6.224 1.00 0.72 H new ATOM 0 HE1 PHE A 742 -1.328 0.983 -1.993 1.00 1.44 H new ATOM 0 HE2 PHE A 742 -3.293 4.030 -4.234 1.00 0.75 H new ATOM 0 HZ PHE A 742 -2.335 3.228 -2.115 1.00 1.13 H new ATOM 1075 N LEU A 743 -5.586 0.748 -7.070 1.00 0.48 N ATOM 1076 CA LEU A 743 -6.568 1.514 -7.801 1.00 0.61 C ATOM 1077 C LEU A 743 -6.444 3.008 -7.521 1.00 0.55 C ATOM 1078 O LEU A 743 -5.953 3.414 -6.461 1.00 0.48 O ATOM 1079 CB LEU A 743 -7.972 1.033 -7.425 1.00 0.78 C ATOM 1080 CG LEU A 743 -8.219 -0.467 -7.603 1.00 1.02 C ATOM 1081 CD1 LEU A 743 -9.565 -0.857 -7.016 1.00 1.50 C ATOM 1082 CD2 LEU A 743 -8.149 -0.849 -9.074 1.00 1.67 C ATOM 0 H LEU A 743 -5.892 0.454 -6.143 1.00 0.48 H new ATOM 0 HA LEU A 743 -6.391 1.360 -8.865 1.00 0.61 H new ATOM 0 HB2 LEU A 743 -8.161 1.295 -6.384 1.00 0.78 H new ATOM 0 HB3 LEU A 743 -8.698 1.578 -8.028 1.00 0.78 H new ATOM 0 HG LEU A 743 -7.439 -1.010 -7.069 1.00 1.02 H new ATOM 0 HD11 LEU A 743 -9.725 -1.927 -7.151 1.00 1.50 H new ATOM 0 HD12 LEU A 743 -9.581 -0.619 -5.952 1.00 1.50 H new ATOM 0 HD13 LEU A 743 -10.357 -0.305 -7.523 1.00 1.50 H new ATOM 0 HD21 LEU A 743 -8.327 -1.919 -9.181 1.00 1.67 H new ATOM 0 HD22 LEU A 743 -8.908 -0.298 -9.630 1.00 1.67 H new ATOM 0 HD23 LEU A 743 -7.162 -0.604 -9.467 1.00 1.67 H new ATOM 1094 N PRO A 744 -6.890 3.833 -8.484 1.00 0.66 N ATOM 1095 CA PRO A 744 -7.064 5.282 -8.307 1.00 0.67 C ATOM 1096 C PRO A 744 -7.932 5.614 -7.092 1.00 0.62 C ATOM 1097 O PRO A 744 -8.552 4.717 -6.511 1.00 0.64 O ATOM 1098 CB PRO A 744 -7.756 5.724 -9.598 1.00 0.80 C ATOM 1099 CG PRO A 744 -7.351 4.706 -10.603 1.00 1.06 C ATOM 1100 CD PRO A 744 -7.253 3.409 -9.851 1.00 0.83 C ATOM 0 HA PRO A 744 -6.115 5.787 -8.128 1.00 0.67 H new ATOM 0 HB2 PRO A 744 -8.839 5.755 -9.478 1.00 0.80 H new ATOM 0 HB3 PRO A 744 -7.440 6.724 -9.896 1.00 0.80 H new ATOM 0 HG2 PRO A 744 -8.083 4.638 -11.408 1.00 1.06 H new ATOM 0 HG3 PRO A 744 -6.397 4.966 -11.061 1.00 1.06 H new ATOM 0 HD2 PRO A 744 -8.197 2.864 -9.865 1.00 0.83 H new ATOM 0 HD3 PRO A 744 -6.498 2.751 -10.281 1.00 0.83 H new ATOM 1108 N SER A 745 -7.941 6.894 -6.701 1.00 0.64 N ATOM 1109 CA SER A 745 -8.671 7.367 -5.520 1.00 0.67 C ATOM 1110 C SER A 745 -10.012 6.653 -5.358 1.00 0.73 C ATOM 1111 O SER A 745 -10.967 6.888 -6.099 1.00 0.78 O ATOM 1112 CB SER A 745 -8.864 8.879 -5.626 1.00 0.74 C ATOM 1113 OG SER A 745 -7.609 9.520 -5.786 1.00 1.20 O ATOM 0 H SER A 745 -7.441 7.632 -7.196 1.00 0.64 H new ATOM 0 HA SER A 745 -8.085 7.136 -4.630 1.00 0.67 H new ATOM 0 HB2 SER A 745 -9.511 9.113 -6.472 1.00 0.74 H new ATOM 0 HB3 SER A 745 -9.361 9.254 -4.731 1.00 0.74 H new ATOM 0 HG SER A 745 -7.750 10.463 -6.014 1.00 1.20 H new ATOM 1119 N HIS A 746 -10.057 5.773 -4.365 1.00 0.81 N ATOM 1120 CA HIS A 746 -11.132 4.803 -4.241 1.00 0.91 C ATOM 1121 C HIS A 746 -11.941 5.008 -2.966 1.00 0.96 C ATOM 1122 O HIS A 746 -11.391 5.334 -1.913 1.00 1.15 O ATOM 1123 CB HIS A 746 -10.556 3.378 -4.287 1.00 1.10 C ATOM 1124 CG HIS A 746 -9.392 3.136 -3.367 1.00 2.08 C ATOM 1125 ND1 HIS A 746 -9.424 3.386 -2.009 1.00 2.92 N ATOM 1126 CD2 HIS A 746 -8.148 2.664 -3.629 1.00 2.98 C ATOM 1127 CE1 HIS A 746 -8.254 3.078 -1.478 1.00 3.88 C ATOM 1128 NE2 HIS A 746 -7.463 2.638 -2.438 1.00 3.89 N ATOM 0 H HIS A 746 -9.353 5.714 -3.629 1.00 0.81 H new ATOM 0 HA HIS A 746 -11.811 4.948 -5.081 1.00 0.91 H new ATOM 0 HB2 HIS A 746 -11.349 2.673 -4.039 1.00 1.10 H new ATOM 0 HB3 HIS A 746 -10.244 3.160 -5.309 1.00 1.10 H new ATOM 0 HD1 HIS A 746 -10.226 3.752 -1.496 1.00 2.92 H new ATOM 0 HD2 HIS A 746 -7.767 2.364 -4.594 1.00 2.98 H new ATOM 0 HE1 HIS A 746 -7.990 3.171 -0.435 1.00 3.88 H new ATOM 1137 N SER A 747 -13.244 4.770 -3.076 1.00 0.93 N ATOM 1138 CA SER A 747 -14.184 4.949 -1.971 1.00 1.06 C ATOM 1139 C SER A 747 -14.093 3.796 -0.971 1.00 1.39 C ATOM 1140 O SER A 747 -14.744 3.806 0.072 1.00 1.67 O ATOM 1141 CB SER A 747 -15.603 5.070 -2.521 1.00 1.10 C ATOM 1142 OG SER A 747 -15.681 6.111 -3.484 1.00 1.34 O ATOM 0 H SER A 747 -13.682 4.446 -3.938 1.00 0.93 H new ATOM 0 HA SER A 747 -13.923 5.865 -1.440 1.00 1.06 H new ATOM 0 HB2 SER A 747 -15.905 4.126 -2.974 1.00 1.10 H new ATOM 0 HB3 SER A 747 -16.299 5.269 -1.706 1.00 1.10 H new ATOM 0 HG SER A 747 -16.597 6.172 -3.826 1.00 1.34 H new ATOM 1148 N LEU A 748 -13.290 2.794 -1.313 1.00 1.54 N ATOM 1149 CA LEU A 748 -13.063 1.629 -0.456 1.00 1.97 C ATOM 1150 C LEU A 748 -12.250 1.999 0.803 1.00 1.72 C ATOM 1151 O LEU A 748 -11.740 1.132 1.506 1.00 2.07 O ATOM 1152 CB LEU A 748 -12.344 0.539 -1.260 1.00 2.49 C ATOM 1153 CG LEU A 748 -12.301 -0.845 -0.609 1.00 3.04 C ATOM 1154 CD1 LEU A 748 -13.709 -1.367 -0.368 1.00 3.71 C ATOM 1155 CD2 LEU A 748 -11.518 -1.811 -1.481 1.00 3.52 C ATOM 0 H LEU A 748 -12.776 2.764 -2.193 1.00 1.54 H new ATOM 0 HA LEU A 748 -14.030 1.256 -0.118 1.00 1.97 H new ATOM 0 HB2 LEU A 748 -12.831 0.449 -2.231 1.00 2.49 H new ATOM 0 HB3 LEU A 748 -11.321 0.865 -1.445 1.00 2.49 H new ATOM 0 HG LEU A 748 -11.799 -0.759 0.355 1.00 3.04 H new ATOM 0 HD11 LEU A 748 -13.657 -2.352 0.095 1.00 3.71 H new ATOM 0 HD12 LEU A 748 -14.243 -0.683 0.292 1.00 3.71 H new ATOM 0 HD13 LEU A 748 -14.237 -1.440 -1.318 1.00 3.71 H new ATOM 0 HD21 LEU A 748 -11.495 -2.792 -1.007 1.00 3.52 H new ATOM 0 HD22 LEU A 748 -11.997 -1.891 -2.457 1.00 3.52 H new ATOM 0 HD23 LEU A 748 -10.499 -1.444 -1.606 1.00 3.52 H new ATOM 1167 N ASP A 749 -12.112 3.296 1.061 1.00 1.20 N ATOM 1168 CA ASP A 749 -11.339 3.810 2.198 1.00 0.97 C ATOM 1169 C ASP A 749 -12.092 3.677 3.532 1.00 0.91 C ATOM 1170 O ASP A 749 -11.813 4.406 4.484 1.00 1.13 O ATOM 1171 CB ASP A 749 -10.976 5.276 1.939 1.00 0.85 C ATOM 1172 CG ASP A 749 -12.189 6.159 1.720 1.00 1.47 C ATOM 1173 OD1 ASP A 749 -12.741 6.139 0.600 1.00 2.36 O ATOM 1174 OD2 ASP A 749 -12.578 6.888 2.656 1.00 1.85 O ATOM 0 H ASP A 749 -12.533 4.027 0.488 1.00 1.20 H new ATOM 0 HA ASP A 749 -10.435 3.207 2.286 1.00 0.97 H new ATOM 0 HB2 ASP A 749 -10.404 5.657 2.785 1.00 0.85 H new ATOM 0 HB3 ASP A 749 -10.328 5.335 1.064 1.00 0.85 H new ATOM 1179 N THR A 750 -13.004 2.720 3.609 1.00 1.03 N ATOM 1180 CA THR A 750 -13.750 2.456 4.834 1.00 1.16 C ATOM 1181 C THR A 750 -12.917 1.625 5.811 1.00 1.58 C ATOM 1182 O THR A 750 -11.898 1.041 5.431 1.00 2.13 O ATOM 1183 CB THR A 750 -15.068 1.728 4.518 1.00 1.60 C ATOM 1184 OG1 THR A 750 -14.839 0.686 3.557 1.00 2.42 O ATOM 1185 CG2 THR A 750 -16.104 2.703 3.979 1.00 2.13 C ATOM 0 H THR A 750 -13.248 2.107 2.831 1.00 1.03 H new ATOM 0 HA THR A 750 -13.979 3.414 5.300 1.00 1.16 H new ATOM 0 HB THR A 750 -15.446 1.290 5.441 1.00 1.60 H new ATOM 0 HG1 THR A 750 -15.683 0.228 3.364 1.00 2.42 H new ATOM 0 HG21 THR A 750 -17.029 2.168 3.762 1.00 2.13 H new ATOM 0 HG22 THR A 750 -16.298 3.476 4.723 1.00 2.13 H new ATOM 0 HG23 THR A 750 -15.729 3.165 3.066 1.00 2.13 H new ATOM 1193 N VAL A 751 -13.339 1.585 7.069 1.00 1.82 N ATOM 1194 CA VAL A 751 -12.559 0.940 8.119 1.00 2.44 C ATOM 1195 C VAL A 751 -12.670 -0.581 8.035 1.00 2.14 C ATOM 1196 O VAL A 751 -13.640 -1.180 8.505 1.00 2.27 O ATOM 1197 CB VAL A 751 -13.005 1.403 9.523 1.00 3.43 C ATOM 1198 CG1 VAL A 751 -12.037 0.900 10.586 1.00 4.06 C ATOM 1199 CG2 VAL A 751 -13.133 2.919 9.580 1.00 4.17 C ATOM 0 H VAL A 751 -14.218 1.992 7.388 1.00 1.82 H new ATOM 0 HA VAL A 751 -11.521 1.234 7.964 1.00 2.44 H new ATOM 0 HB VAL A 751 -13.987 0.976 9.726 1.00 3.43 H new ATOM 0 HG11 VAL A 751 -12.368 1.237 11.568 1.00 4.06 H new ATOM 0 HG12 VAL A 751 -12.009 -0.189 10.566 1.00 4.06 H new ATOM 0 HG13 VAL A 751 -11.040 1.292 10.385 1.00 4.06 H new ATOM 0 HG21 VAL A 751 -13.448 3.220 10.579 1.00 4.17 H new ATOM 0 HG22 VAL A 751 -12.170 3.374 9.351 1.00 4.17 H new ATOM 0 HG23 VAL A 751 -13.873 3.249 8.851 1.00 4.17 H new ATOM 1209 N SER A 752 -11.662 -1.194 7.438 1.00 2.23 N ATOM 1210 CA SER A 752 -11.603 -2.640 7.286 1.00 2.12 C ATOM 1211 C SER A 752 -10.146 -3.105 7.271 1.00 2.30 C ATOM 1212 O SER A 752 -9.388 -2.753 6.370 1.00 2.26 O ATOM 1213 CB SER A 752 -12.331 -3.052 6.005 1.00 2.47 C ATOM 1214 OG SER A 752 -12.312 -1.997 5.053 1.00 2.95 O ATOM 0 H SER A 752 -10.859 -0.703 7.044 1.00 2.23 H new ATOM 0 HA SER A 752 -12.099 -3.118 8.131 1.00 2.12 H new ATOM 0 HB2 SER A 752 -11.859 -3.938 5.582 1.00 2.47 H new ATOM 0 HB3 SER A 752 -13.362 -3.320 6.237 1.00 2.47 H new ATOM 0 HG SER A 752 -12.372 -2.371 4.149 1.00 2.95 H new ATOM 1220 N PRO A 753 -9.738 -3.879 8.290 1.00 2.99 N ATOM 1221 CA PRO A 753 -8.337 -4.289 8.486 1.00 3.72 C ATOM 1222 C PRO A 753 -7.819 -5.270 7.430 1.00 3.48 C ATOM 1223 O PRO A 753 -6.650 -5.227 7.055 1.00 3.96 O ATOM 1224 CB PRO A 753 -8.338 -4.961 9.869 1.00 4.69 C ATOM 1225 CG PRO A 753 -9.649 -4.606 10.488 1.00 4.49 C ATOM 1226 CD PRO A 753 -10.604 -4.416 9.349 1.00 3.44 C ATOM 0 HA PRO A 753 -7.675 -3.427 8.403 1.00 3.72 H new ATOM 0 HB2 PRO A 753 -8.227 -6.042 9.780 1.00 4.69 H new ATOM 0 HB3 PRO A 753 -7.508 -4.604 10.478 1.00 4.69 H new ATOM 0 HG2 PRO A 753 -9.991 -5.395 11.157 1.00 4.49 H new ATOM 0 HG3 PRO A 753 -9.566 -3.697 11.084 1.00 4.49 H new ATOM 0 HD2 PRO A 753 -11.073 -5.354 9.052 1.00 3.44 H new ATOM 0 HD3 PRO A 753 -11.407 -3.725 9.605 1.00 3.44 H new ATOM 1234 N SER A 754 -8.682 -6.155 6.958 1.00 2.99 N ATOM 1235 CA SER A 754 -8.272 -7.204 6.029 1.00 3.13 C ATOM 1236 C SER A 754 -8.476 -6.778 4.579 1.00 2.22 C ATOM 1237 O SER A 754 -8.331 -7.576 3.655 1.00 2.49 O ATOM 1238 CB SER A 754 -9.044 -8.491 6.321 1.00 3.71 C ATOM 1239 OG SER A 754 -8.965 -8.826 7.698 1.00 4.37 O ATOM 0 H SER A 754 -9.672 -6.171 7.201 1.00 2.99 H new ATOM 0 HA SER A 754 -7.207 -7.385 6.172 1.00 3.13 H new ATOM 0 HB2 SER A 754 -10.088 -8.368 6.032 1.00 3.71 H new ATOM 0 HB3 SER A 754 -8.641 -9.306 5.720 1.00 3.71 H new ATOM 0 HG SER A 754 -9.467 -9.651 7.863 1.00 4.37 H new ATOM 1245 N ASP A 755 -8.842 -5.524 4.402 1.00 1.48 N ATOM 1246 CA ASP A 755 -9.087 -4.951 3.091 1.00 0.96 C ATOM 1247 C ASP A 755 -7.854 -4.954 2.207 1.00 1.01 C ATOM 1248 O ASP A 755 -6.757 -5.308 2.638 1.00 1.88 O ATOM 1249 CB ASP A 755 -9.626 -3.534 3.210 1.00 1.69 C ATOM 1250 CG ASP A 755 -10.979 -3.381 2.560 1.00 2.33 C ATOM 1251 OD1 ASP A 755 -11.503 -4.391 2.058 1.00 2.83 O ATOM 1252 OD2 ASP A 755 -11.512 -2.251 2.530 1.00 2.95 O ATOM 0 H ASP A 755 -8.979 -4.867 5.170 1.00 1.48 H new ATOM 0 HA ASP A 755 -9.833 -5.588 2.616 1.00 0.96 H new ATOM 0 HB2 ASP A 755 -9.698 -3.262 4.263 1.00 1.69 H new ATOM 0 HB3 ASP A 755 -8.923 -2.840 2.749 1.00 1.69 H new ATOM 1257 N THR A 756 -8.087 -4.562 0.965 1.00 0.93 N ATOM 1258 CA THR A 756 -7.099 -4.555 -0.102 1.00 0.99 C ATOM 1259 C THR A 756 -5.645 -4.316 0.347 1.00 0.78 C ATOM 1260 O THR A 756 -5.270 -3.250 0.839 1.00 0.89 O ATOM 1261 CB THR A 756 -7.497 -3.501 -1.153 1.00 1.43 C ATOM 1262 OG1 THR A 756 -6.379 -3.166 -1.952 1.00 1.93 O ATOM 1263 CG2 THR A 756 -8.052 -2.243 -0.500 1.00 2.05 C ATOM 0 H THR A 756 -9.002 -4.228 0.661 1.00 0.93 H new ATOM 0 HA THR A 756 -7.106 -5.563 -0.516 1.00 0.99 H new ATOM 0 HB THR A 756 -8.279 -3.934 -1.777 1.00 1.43 H new ATOM 0 HG1 THR A 756 -5.781 -2.577 -1.447 1.00 1.93 H new ATOM 0 HG21 THR A 756 -8.322 -1.522 -1.271 1.00 2.05 H new ATOM 0 HG22 THR A 756 -8.936 -2.497 0.085 1.00 2.05 H new ATOM 0 HG23 THR A 756 -7.296 -1.809 0.154 1.00 2.05 H new ATOM 1271 N LEU A 757 -4.850 -5.356 0.131 1.00 0.68 N ATOM 1272 CA LEU A 757 -3.432 -5.390 0.400 1.00 0.58 C ATOM 1273 C LEU A 757 -2.616 -4.969 -0.794 1.00 0.44 C ATOM 1274 O LEU A 757 -3.031 -5.184 -1.925 1.00 0.46 O ATOM 1275 CB LEU A 757 -3.055 -6.817 0.758 1.00 0.70 C ATOM 1276 CG LEU A 757 -2.638 -6.980 2.204 1.00 0.96 C ATOM 1277 CD1 LEU A 757 -3.030 -5.737 2.958 1.00 1.53 C ATOM 1278 CD2 LEU A 757 -3.263 -8.214 2.826 1.00 1.66 C ATOM 0 H LEU A 757 -5.199 -6.234 -0.254 1.00 0.68 H new ATOM 0 HA LEU A 757 -3.222 -4.694 1.212 1.00 0.58 H new ATOM 0 HB2 LEU A 757 -3.903 -7.471 0.555 1.00 0.70 H new ATOM 0 HB3 LEU A 757 -2.239 -7.143 0.113 1.00 0.70 H new ATOM 0 HG LEU A 757 -1.558 -7.116 2.255 1.00 0.96 H new ATOM 0 HD11 LEU A 757 -2.737 -5.838 4.003 1.00 1.53 H new ATOM 0 HD12 LEU A 757 -2.528 -4.873 2.522 1.00 1.53 H new ATOM 0 HD13 LEU A 757 -4.109 -5.599 2.896 1.00 1.53 H new ATOM 0 HD21 LEU A 757 -2.942 -8.300 3.864 1.00 1.66 H new ATOM 0 HD22 LEU A 757 -4.349 -8.131 2.787 1.00 1.66 H new ATOM 0 HD23 LEU A 757 -2.947 -9.099 2.274 1.00 1.66 H new ATOM 1290 N LEU A 758 -1.449 -4.391 -0.551 1.00 0.39 N ATOM 1291 CA LEU A 758 -0.505 -4.220 -1.600 1.00 0.40 C ATOM 1292 C LEU A 758 0.693 -5.051 -1.373 1.00 0.35 C ATOM 1293 O LEU A 758 1.143 -5.281 -0.234 1.00 0.40 O ATOM 1294 CB LEU A 758 -0.118 -2.756 -1.893 1.00 0.54 C ATOM 1295 CG LEU A 758 0.744 -2.016 -0.874 1.00 0.60 C ATOM 1296 CD1 LEU A 758 2.179 -2.514 -0.893 1.00 1.19 C ATOM 1297 CD2 LEU A 758 0.730 -0.535 -1.181 1.00 1.13 C ATOM 0 H LEU A 758 -1.152 -4.042 0.360 1.00 0.39 H new ATOM 0 HA LEU A 758 -1.016 -4.561 -2.500 1.00 0.40 H new ATOM 0 HB2 LEU A 758 0.406 -2.736 -2.848 1.00 0.54 H new ATOM 0 HB3 LEU A 758 -1.039 -2.189 -2.023 1.00 0.54 H new ATOM 0 HG LEU A 758 0.329 -2.203 0.116 1.00 0.60 H new ATOM 0 HD11 LEU A 758 2.764 -1.965 -0.155 1.00 1.19 H new ATOM 0 HD12 LEU A 758 2.198 -3.577 -0.654 1.00 1.19 H new ATOM 0 HD13 LEU A 758 2.605 -2.357 -1.884 1.00 1.19 H new ATOM 0 HD21 LEU A 758 1.346 -0.007 -0.453 1.00 1.13 H new ATOM 0 HD22 LEU A 758 1.127 -0.367 -2.182 1.00 1.13 H new ATOM 0 HD23 LEU A 758 -0.293 -0.162 -1.129 1.00 1.13 H new ATOM 1309 N CYS A 759 1.144 -5.573 -2.469 1.00 0.35 N ATOM 1310 CA CYS A 759 2.439 -6.183 -2.497 1.00 0.36 C ATOM 1311 C CYS A 759 3.174 -5.726 -3.750 1.00 0.36 C ATOM 1312 O CYS A 759 2.923 -6.236 -4.842 1.00 0.40 O ATOM 1313 CB CYS A 759 2.320 -7.710 -2.431 1.00 0.46 C ATOM 1314 SG CYS A 759 1.299 -8.453 -3.722 1.00 1.55 S ATOM 0 H CYS A 759 0.638 -5.590 -3.355 1.00 0.35 H new ATOM 0 HA CYS A 759 3.013 -5.873 -1.624 1.00 0.36 H new ATOM 0 HB2 CYS A 759 3.320 -8.140 -2.487 1.00 0.46 H new ATOM 0 HB3 CYS A 759 1.909 -7.986 -1.460 1.00 0.46 H new ATOM 0 HG CYS A 759 1.821 -8.203 -4.886 1.00 1.55 H new ATOM 1320 N PHE A 760 4.077 -4.775 -3.627 1.00 0.36 N ATOM 1321 CA PHE A 760 4.824 -4.350 -4.789 1.00 0.41 C ATOM 1322 C PHE A 760 6.300 -4.201 -4.505 1.00 0.36 C ATOM 1323 O PHE A 760 6.718 -4.070 -3.357 1.00 0.50 O ATOM 1324 CB PHE A 760 4.259 -3.074 -5.384 1.00 0.68 C ATOM 1325 CG PHE A 760 4.262 -3.110 -6.885 1.00 1.79 C ATOM 1326 CD1 PHE A 760 3.382 -3.937 -7.561 1.00 2.53 C ATOM 1327 CD2 PHE A 760 5.141 -2.333 -7.618 1.00 2.16 C ATOM 1328 CE1 PHE A 760 3.374 -3.987 -8.941 1.00 3.60 C ATOM 1329 CE2 PHE A 760 5.137 -2.378 -9.001 1.00 3.23 C ATOM 1330 CZ PHE A 760 4.252 -3.205 -9.662 1.00 3.94 C ATOM 0 H PHE A 760 4.307 -4.293 -2.758 1.00 0.36 H new ATOM 0 HA PHE A 760 4.716 -5.145 -5.527 1.00 0.41 H new ATOM 0 HB2 PHE A 760 3.240 -2.926 -5.026 1.00 0.68 H new ATOM 0 HB3 PHE A 760 4.845 -2.222 -5.040 1.00 0.68 H new ATOM 0 HD1 PHE A 760 2.692 -4.552 -7.002 1.00 2.53 H new ATOM 0 HD2 PHE A 760 5.837 -1.685 -7.106 1.00 2.16 H new ATOM 0 HE1 PHE A 760 2.681 -4.637 -9.455 1.00 3.60 H new ATOM 0 HE2 PHE A 760 5.827 -1.766 -9.563 1.00 3.23 H new ATOM 0 HZ PHE A 760 4.247 -3.240 -10.741 1.00 3.94 H new ATOM 1340 N GLU A 761 7.066 -4.379 -5.553 1.00 0.35 N ATOM 1341 CA GLU A 761 8.476 -4.035 -5.582 1.00 0.40 C ATOM 1342 C GLU A 761 8.787 -3.103 -6.765 1.00 0.61 C ATOM 1343 O GLU A 761 8.533 -3.469 -7.912 1.00 0.79 O ATOM 1344 CB GLU A 761 9.351 -5.289 -5.633 1.00 0.52 C ATOM 1345 CG GLU A 761 8.945 -6.297 -6.695 1.00 1.26 C ATOM 1346 CD GLU A 761 9.970 -7.400 -6.864 1.00 1.49 C ATOM 1347 OE1 GLU A 761 10.323 -8.044 -5.855 1.00 1.96 O ATOM 1348 OE2 GLU A 761 10.416 -7.644 -8.004 1.00 1.88 O ATOM 0 H GLU A 761 6.725 -4.774 -6.429 1.00 0.35 H new ATOM 0 HA GLU A 761 8.708 -3.504 -4.659 1.00 0.40 H new ATOM 0 HB2 GLU A 761 10.384 -4.989 -5.810 1.00 0.52 H new ATOM 0 HB3 GLU A 761 9.323 -5.776 -4.658 1.00 0.52 H new ATOM 0 HG2 GLU A 761 7.984 -6.736 -6.428 1.00 1.26 H new ATOM 0 HG3 GLU A 761 8.807 -5.783 -7.646 1.00 1.26 H new ATOM 1355 N LEU A 762 9.298 -1.909 -6.511 1.00 0.89 N ATOM 1356 CA LEU A 762 9.899 -1.109 -7.587 1.00 1.28 C ATOM 1357 C LEU A 762 11.395 -1.005 -7.339 1.00 0.79 C ATOM 1358 O LEU A 762 11.869 -1.403 -6.282 1.00 0.89 O ATOM 1359 CB LEU A 762 9.288 0.294 -7.638 1.00 2.07 C ATOM 1360 CG LEU A 762 8.704 0.717 -8.992 1.00 3.10 C ATOM 1361 CD1 LEU A 762 9.804 0.923 -10.018 1.00 3.72 C ATOM 1362 CD2 LEU A 762 7.714 -0.317 -9.494 1.00 3.94 C ATOM 0 H LEU A 762 9.314 -1.471 -5.590 1.00 0.89 H new ATOM 0 HA LEU A 762 9.704 -1.597 -8.542 1.00 1.28 H new ATOM 0 HB2 LEU A 762 8.499 0.354 -6.888 1.00 2.07 H new ATOM 0 HB3 LEU A 762 10.054 1.015 -7.353 1.00 2.07 H new ATOM 0 HG LEU A 762 8.183 1.664 -8.849 1.00 3.10 H new ATOM 0 HD11 LEU A 762 9.363 1.222 -10.969 1.00 3.72 H new ATOM 0 HD12 LEU A 762 10.483 1.702 -9.672 1.00 3.72 H new ATOM 0 HD13 LEU A 762 10.356 -0.007 -10.151 1.00 3.72 H new ATOM 0 HD21 LEU A 762 7.311 0.002 -10.455 1.00 3.94 H new ATOM 0 HD22 LEU A 762 8.218 -1.276 -9.612 1.00 3.94 H new ATOM 0 HD23 LEU A 762 6.900 -0.420 -8.776 1.00 3.94 H new ATOM 1374 N LEU A 763 12.159 -0.492 -8.290 1.00 1.06 N ATOM 1375 CA LEU A 763 13.551 -0.226 -8.012 1.00 0.98 C ATOM 1376 C LEU A 763 13.709 1.254 -7.746 1.00 0.79 C ATOM 1377 O LEU A 763 13.528 2.080 -8.641 1.00 1.44 O ATOM 1378 CB LEU A 763 14.455 -0.655 -9.176 1.00 1.81 C ATOM 1379 CG LEU A 763 14.617 -2.167 -9.386 1.00 2.42 C ATOM 1380 CD1 LEU A 763 14.997 -2.855 -8.086 1.00 2.97 C ATOM 1381 CD2 LEU A 763 13.354 -2.780 -9.972 1.00 3.32 C ATOM 0 H LEU A 763 11.847 -0.259 -9.233 1.00 1.06 H new ATOM 0 HA LEU A 763 13.855 -0.805 -7.140 1.00 0.98 H new ATOM 0 HB2 LEU A 763 14.059 -0.222 -10.095 1.00 1.81 H new ATOM 0 HB3 LEU A 763 15.443 -0.223 -9.020 1.00 1.81 H new ATOM 0 HG LEU A 763 15.425 -2.319 -10.102 1.00 2.42 H new ATOM 0 HD11 LEU A 763 15.106 -3.926 -8.259 1.00 2.97 H new ATOM 0 HD12 LEU A 763 15.940 -2.448 -7.721 1.00 2.97 H new ATOM 0 HD13 LEU A 763 14.217 -2.685 -7.343 1.00 2.97 H new ATOM 0 HD21 LEU A 763 13.499 -3.851 -10.109 1.00 3.32 H new ATOM 0 HD22 LEU A 763 12.519 -2.611 -9.292 1.00 3.32 H new ATOM 0 HD23 LEU A 763 13.138 -2.317 -10.935 1.00 3.32 H new ATOM 1393 N SER A 764 14.071 1.565 -6.520 1.00 0.58 N ATOM 1394 CA SER A 764 14.295 2.924 -6.075 1.00 0.61 C ATOM 1395 C SER A 764 14.926 2.857 -4.693 1.00 0.71 C ATOM 1396 O SER A 764 14.770 1.855 -4.005 1.00 1.17 O ATOM 1397 CB SER A 764 12.977 3.707 -5.986 1.00 1.02 C ATOM 1398 OG SER A 764 12.361 3.881 -7.250 1.00 1.67 O ATOM 0 H SER A 764 14.221 0.868 -5.791 1.00 0.58 H new ATOM 0 HA SER A 764 14.942 3.436 -6.788 1.00 0.61 H new ATOM 0 HB2 SER A 764 12.291 3.183 -5.321 1.00 1.02 H new ATOM 0 HB3 SER A 764 13.168 4.684 -5.541 1.00 1.02 H new ATOM 0 HG SER A 764 12.947 3.527 -7.951 1.00 1.67 H new ATOM 1404 N SER A 765 15.620 3.898 -4.277 1.00 0.99 N ATOM 1405 CA SER A 765 16.114 3.959 -2.909 1.00 1.18 C ATOM 1406 C SER A 765 16.566 5.363 -2.562 1.00 1.13 C ATOM 1407 O SER A 765 17.021 6.106 -3.432 1.00 1.21 O ATOM 1408 CB SER A 765 17.266 2.969 -2.715 1.00 1.51 C ATOM 1409 OG SER A 765 18.255 3.145 -3.714 1.00 2.10 O ATOM 0 H SER A 765 15.854 4.705 -4.855 1.00 0.99 H new ATOM 0 HA SER A 765 15.298 3.686 -2.239 1.00 1.18 H new ATOM 0 HB2 SER A 765 17.710 3.109 -1.729 1.00 1.51 H new ATOM 0 HB3 SER A 765 16.884 1.949 -2.751 1.00 1.51 H new ATOM 0 HG SER A 765 18.982 2.504 -3.571 1.00 2.10 H new ATOM 1415 N GLU A 766 16.393 5.745 -1.310 1.00 1.43 N ATOM 1416 CA GLU A 766 16.955 6.987 -0.826 1.00 1.74 C ATOM 1417 C GLU A 766 17.965 6.685 0.269 1.00 2.11 C ATOM 1418 O GLU A 766 19.173 6.922 0.049 1.00 2.79 O ATOM 1419 CB GLU A 766 15.861 7.925 -0.317 1.00 2.48 C ATOM 1420 CG GLU A 766 16.393 9.278 0.117 1.00 3.22 C ATOM 1421 CD GLU A 766 15.296 10.255 0.464 1.00 4.06 C ATOM 1422 OE1 GLU A 766 14.642 10.776 -0.461 1.00 4.70 O ATOM 1423 OE2 GLU A 766 15.072 10.495 1.667 1.00 4.47 O ATOM 1424 OXT GLU A 766 17.553 6.155 1.320 1.00 2.51 O ATOM 0 H GLU A 766 15.870 5.214 -0.614 1.00 1.43 H new ATOM 0 HA GLU A 766 17.458 7.495 -1.649 1.00 1.74 H new ATOM 0 HB2 GLU A 766 15.119 8.068 -1.102 1.00 2.48 H new ATOM 0 HB3 GLU A 766 15.350 7.455 0.523 1.00 2.48 H new ATOM 0 HG2 GLU A 766 17.043 9.147 0.982 1.00 3.22 H new ATOM 0 HG3 GLU A 766 17.006 9.696 -0.682 1.00 3.22 H new