USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 766 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 754 THR OG1 : rot -107:sc= 0.471 USER MOD Set 1.2: A 797 SER OG : rot 180:sc= -0.0308 USER MOD Set 2.1: A 778 TYR OH : rot 180:sc= 0.241 USER MOD Set 2.2: A 781 LYS NZ :NH3+ 146:sc= 1.12 (180deg=0.725) USER MOD Set 3.1: A 739 SER OG : rot 110:sc= 0.704 USER MOD Set 3.2: A 782 THR OG1 : rot -123:sc= 1.19 USER MOD Set 4.1: A 732 LYS NZ :NH3+ -163:sc= 1.26 (180deg=0) USER MOD Set 4.2: A 816 GLN : amide:sc= -0.0654 K(o=1.2,f=-8.5!) USER MOD Set 5.1: A 722 SER OG : rot -159:sc= -0.333 USER MOD Set 5.2: A 724 SER OG : rot 180:sc= 0 USER MOD Set 5.3: A 810 GLN : amide:sc= 0.524 K(o=0.19,f=1.3) USER MOD Single : A 720 LYS NZ :NH3+ -170:sc= -0.0189 (180deg=-0.185) USER MOD Single : A 726 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 729 HIS : no HE2:sc= 1.05 K(o=1,f=-5.1!) USER MOD Single : A 734 CYS SG : rot 17:sc= 1.11 USER MOD Single : A 738 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 740 SER OG : rot 44:sc= 0.135 USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 THR OG1 : rot -20:sc= -0.0831 USER MOD Single : A 755 TYR OH : rot -77:sc= -0.0431 USER MOD Single : A 760 THR OG1 : rot 180:sc= 0 USER MOD Single : A 766 LYS NZ :NH3+ -176:sc= 0.958 (180deg=0.931) USER MOD Single : A 767 THR OG1 : rot -69:sc= 1.3 USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 776 ASN : amide:sc= -0.264! X(o=-0.26!,f=-0.32) USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 787 THR OG1 : rot 180:sc= 0 USER MOD Single : A 791 TYR OH : rot -2:sc= 0.768 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot -46:sc= -0.293! USER MOD Single : A 802 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 804 CYS SG : rot 180:sc= 0 USER MOD Single : A 809 SER OG : rot 180:sc=-0.00138 USER MOD Single : A 814 LYS NZ :NH3+ 176:sc= 0.792 (180deg=0.774) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -16.765 2.069 -6.101 1.00 0.00 N ATOM 42 CA LYS A 720 -15.480 1.453 -6.369 1.00 0.00 C ATOM 43 C LYS A 720 -14.475 1.782 -5.274 1.00 0.00 C ATOM 44 O LYS A 720 -13.966 2.902 -5.197 1.00 0.00 O ATOM 45 CB LYS A 720 -14.947 1.923 -7.712 1.00 0.00 C ATOM 46 CG LYS A 720 -15.835 1.552 -8.878 1.00 0.00 C ATOM 47 CD LYS A 720 -15.773 0.063 -9.194 1.00 0.00 C ATOM 48 CE LYS A 720 -14.367 -0.386 -9.571 1.00 0.00 C ATOM 49 NZ LYS A 720 -13.832 0.365 -10.737 1.00 0.00 N ATOM 0 HA LYS A 720 -15.622 0.373 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -14.827 3.006 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -13.956 1.496 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -16.864 1.832 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -15.535 2.122 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -16.114 -0.505 -8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -16.456 -0.162 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -13.703 -0.250 -8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -14.377 -1.451 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -12.952 -0.082 -11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -14.532 0.356 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -13.638 1.348 -10.457 1.00 0.00 H new ATOM 63 N PRO A 721 -14.188 0.810 -4.407 1.00 0.00 N ATOM 64 CA PRO A 721 -13.219 0.957 -3.340 1.00 0.00 C ATOM 65 C PRO A 721 -11.822 0.583 -3.809 1.00 0.00 C ATOM 66 O PRO A 721 -11.659 -0.292 -4.661 1.00 0.00 O ATOM 67 CB PRO A 721 -13.734 -0.016 -2.287 1.00 0.00 C ATOM 68 CG PRO A 721 -14.451 -1.089 -3.052 1.00 0.00 C ATOM 69 CD PRO A 721 -14.776 -0.535 -4.415 1.00 0.00 C ATOM 0 HA PRO A 721 -13.128 1.979 -2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -12.914 -0.432 -1.702 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.405 0.482 -1.587 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -13.828 -1.979 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.362 -1.387 -2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.350 -1.151 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -15.852 -0.498 -4.584 1.00 0.00 H new ATOM 77 N SER A 722 -10.825 1.239 -3.240 1.00 0.00 N ATOM 78 CA SER A 722 -9.459 1.118 -3.720 1.00 0.00 C ATOM 79 C SER A 722 -8.537 1.996 -2.881 1.00 0.00 C ATOM 80 O SER A 722 -8.861 2.319 -1.743 1.00 0.00 O ATOM 81 CB SER A 722 -9.419 1.509 -5.204 1.00 0.00 C ATOM 82 OG SER A 722 -10.124 2.718 -5.432 1.00 0.00 O ATOM 0 H SER A 722 -10.937 1.864 -2.441 1.00 0.00 H new ATOM 0 HA SER A 722 -9.111 0.090 -3.623 1.00 0.00 H new ATOM 0 HB2 SER A 722 -8.384 1.622 -5.526 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.855 0.711 -5.805 1.00 0.00 H new ATOM 0 HG SER A 722 -10.374 2.778 -6.378 1.00 0.00 H new ATOM 88 N ALA A 723 -7.382 2.357 -3.417 1.00 0.00 N ATOM 89 CA ALA A 723 -6.464 3.226 -2.712 1.00 0.00 C ATOM 90 C ALA A 723 -5.764 4.155 -3.692 1.00 0.00 C ATOM 91 O ALA A 723 -5.434 3.747 -4.804 1.00 0.00 O ATOM 92 CB ALA A 723 -5.460 2.393 -1.937 1.00 0.00 C ATOM 0 H ALA A 723 -7.061 2.060 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.020 3.840 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -4.771 3.052 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -5.986 1.765 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -4.900 1.762 -2.628 1.00 0.00 H new ATOM 98 N SER A 724 -5.545 5.397 -3.292 1.00 0.00 N ATOM 99 CA SER A 724 -4.917 6.370 -4.164 1.00 0.00 C ATOM 100 C SER A 724 -3.768 7.033 -3.428 1.00 0.00 C ATOM 101 O SER A 724 -3.974 7.936 -2.616 1.00 0.00 O ATOM 102 CB SER A 724 -5.939 7.417 -4.602 1.00 0.00 C ATOM 103 OG SER A 724 -7.126 6.803 -5.079 1.00 0.00 O ATOM 0 H SER A 724 -5.794 5.753 -2.369 1.00 0.00 H new ATOM 0 HA SER A 724 -4.534 5.869 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.176 8.072 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 724 -5.510 8.044 -5.384 1.00 0.00 H new ATOM 0 HG SER A 724 -7.765 7.494 -5.352 1.00 0.00 H new ATOM 109 N LEU A 725 -2.560 6.566 -3.690 1.00 0.00 N ATOM 110 CA LEU A 725 -1.412 6.997 -2.938 1.00 0.00 C ATOM 111 C LEU A 725 -1.122 8.477 -3.123 1.00 0.00 C ATOM 112 O LEU A 725 -1.289 9.040 -4.203 1.00 0.00 O ATOM 113 CB LEU A 725 -0.198 6.186 -3.334 1.00 0.00 C ATOM 114 CG LEU A 725 -0.436 4.687 -3.519 1.00 0.00 C ATOM 115 CD1 LEU A 725 0.886 3.997 -3.631 1.00 0.00 C ATOM 116 CD2 LEU A 725 -1.220 4.098 -2.364 1.00 0.00 C ATOM 0 H LEU A 725 -2.356 5.886 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.639 6.836 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.199 6.590 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.571 6.322 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 725 -1.022 4.541 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.728 2.927 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.431 4.392 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.464 4.169 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.369 3.031 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -0.667 4.246 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -2.189 4.593 -2.292 1.00 0.00 H new ATOM 128 N LYS A 726 -0.681 9.080 -2.040 1.00 0.00 N ATOM 129 CA LYS A 726 -0.299 10.482 -2.015 1.00 0.00 C ATOM 130 C LYS A 726 1.198 10.581 -2.265 1.00 0.00 C ATOM 131 O LYS A 726 1.724 11.640 -2.609 1.00 0.00 O ATOM 132 CB LYS A 726 -0.644 11.105 -0.667 1.00 0.00 C ATOM 133 CG LYS A 726 -2.044 10.767 -0.190 1.00 0.00 C ATOM 134 CD LYS A 726 -2.461 11.634 0.985 1.00 0.00 C ATOM 135 CE LYS A 726 -2.777 13.048 0.529 1.00 0.00 C ATOM 136 NZ LYS A 726 -2.923 13.991 1.672 1.00 0.00 N ATOM 0 H LYS A 726 -0.575 8.609 -1.141 1.00 0.00 H new ATOM 0 HA LYS A 726 -0.844 11.023 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 726 0.077 10.767 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.544 12.188 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.750 10.901 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.086 9.717 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.335 11.200 1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -1.663 11.657 1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -1.984 13.400 -0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -3.698 13.042 -0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -3.138 14.943 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -3.697 13.671 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -2.036 14.019 2.215 1.00 0.00 H new ATOM 150 N LEU A 727 1.877 9.455 -2.056 1.00 0.00 N ATOM 151 CA LEU A 727 3.292 9.324 -2.366 1.00 0.00 C ATOM 152 C LEU A 727 3.487 9.566 -3.864 1.00 0.00 C ATOM 153 O LEU A 727 2.922 8.852 -4.694 1.00 0.00 O ATOM 154 CB LEU A 727 3.775 7.921 -1.931 1.00 0.00 C ATOM 155 CG LEU A 727 5.260 7.588 -2.133 1.00 0.00 C ATOM 156 CD1 LEU A 727 5.524 7.169 -3.567 1.00 0.00 C ATOM 157 CD2 LEU A 727 6.142 8.764 -1.741 1.00 0.00 C ATOM 0 H LEU A 727 1.458 8.610 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 727 3.887 10.060 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.544 7.799 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 727 3.187 7.180 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 727 5.510 6.751 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 727 6.582 6.937 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 727 4.930 6.287 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 727 5.250 7.982 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 727 7.189 8.501 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 727 5.891 9.628 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.979 9.007 -0.691 1.00 0.00 H new ATOM 169 N HIS A 728 4.265 10.585 -4.205 1.00 0.00 N ATOM 170 CA HIS A 728 4.355 11.045 -5.587 1.00 0.00 C ATOM 171 C HIS A 728 5.444 10.315 -6.369 1.00 0.00 C ATOM 172 O HIS A 728 5.202 9.844 -7.480 1.00 0.00 O ATOM 173 CB HIS A 728 4.597 12.557 -5.635 1.00 0.00 C ATOM 174 CG HIS A 728 3.466 13.370 -5.077 1.00 0.00 C ATOM 175 ND1 HIS A 728 3.634 14.321 -4.093 1.00 0.00 N ATOM 176 CD2 HIS A 728 2.145 13.384 -5.384 1.00 0.00 C ATOM 177 CE1 HIS A 728 2.470 14.880 -3.819 1.00 0.00 C ATOM 178 NE2 HIS A 728 1.551 14.331 -4.589 1.00 0.00 N ATOM 0 H HIS A 728 4.842 11.108 -3.547 1.00 0.00 H new ATOM 0 HA HIS A 728 3.401 10.817 -6.062 1.00 0.00 H new ATOM 0 HB2 HIS A 728 5.506 12.788 -5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 728 4.771 12.855 -6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 728 1.652 12.764 -6.118 1.00 0.00 H new ATOM 0 HE1 HIS A 728 2.299 15.656 -3.088 1.00 0.00 H new ATOM 0 HE2 HIS A 728 0.560 14.571 -4.593 1.00 0.00 H new ATOM 187 N HIS A 729 6.637 10.216 -5.800 1.00 0.00 N ATOM 188 CA HIS A 729 7.748 9.576 -6.499 1.00 0.00 C ATOM 189 C HIS A 729 8.518 8.646 -5.574 1.00 0.00 C ATOM 190 O HIS A 729 8.122 8.448 -4.429 1.00 0.00 O ATOM 191 CB HIS A 729 8.702 10.603 -7.122 1.00 0.00 C ATOM 192 CG HIS A 729 9.451 11.419 -6.122 1.00 0.00 C ATOM 193 ND1 HIS A 729 10.799 11.277 -5.881 1.00 0.00 N ATOM 194 CD2 HIS A 729 9.022 12.391 -5.303 1.00 0.00 C ATOM 195 CE1 HIS A 729 11.167 12.136 -4.951 1.00 0.00 C ATOM 196 NE2 HIS A 729 10.105 12.827 -4.581 1.00 0.00 N ATOM 0 H HIS A 729 6.862 10.565 -4.868 1.00 0.00 H new ATOM 0 HA HIS A 729 7.312 8.987 -7.306 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.417 10.081 -7.758 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.130 11.271 -7.766 1.00 0.00 H new ATOM 0 HD1 HIS A 729 11.416 10.612 -6.348 1.00 0.00 H new ATOM 0 HD2 HIS A 729 8.011 12.762 -5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 729 12.166 12.254 -4.559 1.00 0.00 H new ATOM 205 N ASP A 730 9.606 8.080 -6.091 1.00 0.00 N ATOM 206 CA ASP A 730 10.469 7.166 -5.341 1.00 0.00 C ATOM 207 C ASP A 730 10.681 7.628 -3.900 1.00 0.00 C ATOM 208 O ASP A 730 10.931 8.807 -3.627 1.00 0.00 O ATOM 209 CB ASP A 730 11.825 7.030 -6.043 1.00 0.00 C ATOM 210 CG ASP A 730 12.602 8.335 -6.086 1.00 0.00 C ATOM 211 OD1 ASP A 730 13.614 8.456 -5.367 1.00 0.00 O ATOM 212 OD2 ASP A 730 12.210 9.246 -6.849 1.00 0.00 O ATOM 0 H ASP A 730 9.917 8.243 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 730 9.968 6.198 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.420 6.275 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.667 6.673 -7.061 1.00 0.00 H new ATOM 217 N LEU A 731 10.550 6.687 -2.982 1.00 0.00 N ATOM 218 CA LEU A 731 10.663 6.972 -1.566 1.00 0.00 C ATOM 219 C LEU A 731 12.011 6.488 -1.035 1.00 0.00 C ATOM 220 O LEU A 731 12.225 5.293 -0.850 1.00 0.00 O ATOM 221 CB LEU A 731 9.498 6.313 -0.838 1.00 0.00 C ATOM 222 CG LEU A 731 9.378 6.657 0.631 1.00 0.00 C ATOM 223 CD1 LEU A 731 9.394 8.163 0.848 1.00 0.00 C ATOM 224 CD2 LEU A 731 8.110 6.055 1.207 1.00 0.00 C ATOM 0 H LEU A 731 10.363 5.708 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 731 10.618 8.047 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 731 8.572 6.596 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 731 9.595 5.232 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 731 10.239 6.235 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 731 9.306 8.378 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 731 10.330 8.575 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 731 8.557 8.616 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.034 6.309 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 731 7.245 6.452 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 731 8.139 4.971 1.095 1.00 0.00 H new ATOM 236 N LYS A 732 12.911 7.437 -0.803 1.00 0.00 N ATOM 237 CA LYS A 732 14.303 7.142 -0.460 1.00 0.00 C ATOM 238 C LYS A 732 14.457 6.635 0.975 1.00 0.00 C ATOM 239 O LYS A 732 14.238 7.373 1.937 1.00 0.00 O ATOM 240 CB LYS A 732 15.159 8.398 -0.653 1.00 0.00 C ATOM 241 CG LYS A 732 15.147 8.942 -2.075 1.00 0.00 C ATOM 242 CD LYS A 732 15.966 8.080 -3.026 1.00 0.00 C ATOM 243 CE LYS A 732 17.459 8.213 -2.759 1.00 0.00 C ATOM 244 NZ LYS A 732 18.270 7.403 -3.705 1.00 0.00 N ATOM 0 H LYS A 732 12.699 8.434 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 732 14.639 6.347 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 732 14.805 9.174 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.187 8.172 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.119 8.998 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 732 15.541 9.958 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 732 15.668 7.037 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 732 15.753 8.369 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 732 17.749 9.261 -2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 732 17.674 7.899 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 19.232 7.287 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 17.830 6.468 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 18.316 7.886 -4.625 1.00 0.00 H new ATOM 258 N LEU A 733 14.838 5.372 1.100 1.00 0.00 N ATOM 259 CA LEU A 733 15.170 4.766 2.389 1.00 0.00 C ATOM 260 C LEU A 733 16.606 4.276 2.370 1.00 0.00 C ATOM 261 O LEU A 733 17.218 4.161 1.309 1.00 0.00 O ATOM 262 CB LEU A 733 14.264 3.571 2.702 1.00 0.00 C ATOM 263 CG LEU A 733 12.972 3.865 3.461 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.146 4.898 2.748 1.00 0.00 C ATOM 265 CD2 LEU A 733 12.193 2.581 3.666 1.00 0.00 C ATOM 0 H LEU A 733 14.927 4.733 0.310 1.00 0.00 H new ATOM 0 HA LEU A 733 15.028 5.530 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.002 3.088 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 733 14.841 2.850 3.281 1.00 0.00 H new ATOM 0 HG LEU A 733 13.226 4.276 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.233 5.086 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.716 5.823 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 733 11.889 4.535 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 733 11.272 2.797 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 733 11.950 2.144 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 733 12.796 1.877 4.240 1.00 0.00 H new ATOM 277 N CYS A 734 17.140 3.990 3.540 1.00 0.00 N ATOM 278 CA CYS A 734 18.455 3.389 3.648 1.00 0.00 C ATOM 279 C CYS A 734 18.386 2.094 4.453 1.00 0.00 C ATOM 280 O CYS A 734 17.294 1.628 4.783 1.00 0.00 O ATOM 281 CB CYS A 734 19.466 4.377 4.245 1.00 0.00 C ATOM 282 SG CYS A 734 18.847 5.340 5.641 1.00 0.00 S ATOM 0 H CYS A 734 16.681 4.165 4.434 1.00 0.00 H new ATOM 0 HA CYS A 734 18.804 3.139 2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 734 20.348 3.823 4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 734 19.788 5.064 3.462 1.00 0.00 H new ATOM 0 HG CYS A 734 17.778 4.775 6.118 1.00 0.00 H new ATOM 288 N LEU A 735 19.540 1.511 4.738 1.00 0.00 N ATOM 289 CA LEU A 735 19.620 0.214 5.404 1.00 0.00 C ATOM 290 C LEU A 735 18.821 0.209 6.706 1.00 0.00 C ATOM 291 O LEU A 735 19.136 0.935 7.647 1.00 0.00 O ATOM 292 CB LEU A 735 21.079 -0.109 5.691 1.00 0.00 C ATOM 293 CG LEU A 735 21.454 -1.585 5.897 1.00 0.00 C ATOM 294 CD1 LEU A 735 22.938 -1.707 6.179 1.00 0.00 C ATOM 295 CD2 LEU A 735 20.664 -2.225 7.019 1.00 0.00 C ATOM 0 H LEU A 735 20.448 1.920 4.516 1.00 0.00 H new ATOM 0 HA LEU A 735 19.192 -0.542 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.677 0.278 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.375 0.441 6.584 1.00 0.00 H new ATOM 0 HG LEU A 735 21.206 -2.115 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 735 23.196 -2.756 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 735 23.503 -1.308 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 735 23.185 -1.145 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 735 20.964 -3.267 7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 735 20.859 -1.693 7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 735 19.600 -2.176 6.789 1.00 0.00 H new ATOM 307 N GLY A 736 17.783 -0.613 6.744 1.00 0.00 N ATOM 308 CA GLY A 736 17.036 -0.804 7.975 1.00 0.00 C ATOM 309 C GLY A 736 15.919 0.202 8.150 1.00 0.00 C ATOM 310 O GLY A 736 15.241 0.214 9.179 1.00 0.00 O ATOM 0 H GLY A 736 17.443 -1.151 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 736 16.617 -1.810 7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 736 17.718 -0.733 8.822 1.00 0.00 H new ATOM 314 N ASP A 737 15.732 1.052 7.159 1.00 0.00 N ATOM 315 CA ASP A 737 14.658 2.038 7.201 1.00 0.00 C ATOM 316 C ASP A 737 13.305 1.410 6.892 1.00 0.00 C ATOM 317 O ASP A 737 13.209 0.431 6.149 1.00 0.00 O ATOM 318 CB ASP A 737 14.931 3.183 6.220 1.00 0.00 C ATOM 319 CG ASP A 737 15.360 4.453 6.922 1.00 0.00 C ATOM 320 OD1 ASP A 737 14.486 5.285 7.240 1.00 0.00 O ATOM 321 OD2 ASP A 737 16.572 4.630 7.156 1.00 0.00 O ATOM 0 H ASP A 737 16.305 1.084 6.316 1.00 0.00 H new ATOM 0 HA ASP A 737 14.627 2.435 8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 737 15.707 2.879 5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.032 3.380 5.636 1.00 0.00 H new ATOM 326 N HIS A 738 12.268 1.974 7.491 1.00 0.00 N ATOM 327 CA HIS A 738 10.898 1.637 7.156 1.00 0.00 C ATOM 328 C HIS A 738 10.288 2.870 6.519 1.00 0.00 C ATOM 329 O HIS A 738 10.704 3.988 6.826 1.00 0.00 O ATOM 330 CB HIS A 738 10.101 1.196 8.400 1.00 0.00 C ATOM 331 CG HIS A 738 9.667 2.306 9.320 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.473 2.838 10.304 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.487 2.969 9.409 1.00 0.00 C ATOM 334 CE1 HIS A 738 9.808 3.774 10.957 1.00 0.00 C ATOM 335 NE2 HIS A 738 8.603 3.874 10.433 1.00 0.00 N ATOM 0 H HIS A 738 12.355 2.679 8.223 1.00 0.00 H new ATOM 0 HA HIS A 738 10.870 0.792 6.469 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.215 0.655 8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 738 10.709 0.493 8.969 1.00 0.00 H new ATOM 0 HD2 HIS A 738 7.617 2.813 8.788 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.188 4.359 11.782 1.00 0.00 H new ATOM 0 HE2 HIS A 738 7.875 4.519 10.739 1.00 0.00 H new ATOM 344 N SER A 739 9.330 2.699 5.639 1.00 0.00 N ATOM 345 CA SER A 739 8.863 3.840 4.867 1.00 0.00 C ATOM 346 C SER A 739 7.480 4.280 5.295 1.00 0.00 C ATOM 347 O SER A 739 6.786 3.575 6.029 1.00 0.00 O ATOM 348 CB SER A 739 8.870 3.542 3.368 1.00 0.00 C ATOM 349 OG SER A 739 7.725 2.814 2.978 1.00 0.00 O ATOM 0 H SER A 739 8.867 1.813 5.439 1.00 0.00 H new ATOM 0 HA SER A 739 9.559 4.655 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 739 8.914 4.478 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 739 9.766 2.976 3.113 1.00 0.00 H new ATOM 0 HG SER A 739 7.140 3.388 2.440 1.00 0.00 H new ATOM 355 N SER A 740 7.100 5.451 4.826 1.00 0.00 N ATOM 356 CA SER A 740 5.784 5.987 5.061 1.00 0.00 C ATOM 357 C SER A 740 5.210 6.504 3.750 1.00 0.00 C ATOM 358 O SER A 740 5.543 7.596 3.283 1.00 0.00 O ATOM 359 CB SER A 740 5.834 7.091 6.124 1.00 0.00 C ATOM 360 OG SER A 740 6.873 8.022 5.860 1.00 0.00 O ATOM 0 H SER A 740 7.702 6.057 4.269 1.00 0.00 H new ATOM 0 HA SER A 740 5.132 5.200 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 740 4.877 7.612 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 740 5.985 6.644 7.107 1.00 0.00 H new ATOM 0 HG SER A 740 6.874 8.250 4.907 1.00 0.00 H new ATOM 366 N VAL A 741 4.365 5.691 3.153 1.00 0.00 N ATOM 367 CA VAL A 741 3.708 6.028 1.910 1.00 0.00 C ATOM 368 C VAL A 741 2.262 6.384 2.202 1.00 0.00 C ATOM 369 O VAL A 741 1.438 5.520 2.511 1.00 0.00 O ATOM 370 CB VAL A 741 3.812 4.875 0.878 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.719 3.522 1.561 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.740 5.000 -0.197 1.00 0.00 C ATOM 0 H VAL A 741 4.114 4.773 3.519 1.00 0.00 H new ATOM 0 HA VAL A 741 4.207 6.887 1.462 1.00 0.00 H new ATOM 0 HB VAL A 741 4.788 4.952 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.795 2.732 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.532 3.421 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.764 3.441 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 741 2.838 4.178 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.754 4.964 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 741 2.860 5.948 -0.722 1.00 0.00 H new ATOM 382 N PRO A 742 1.947 7.675 2.156 1.00 0.00 N ATOM 383 CA PRO A 742 0.624 8.152 2.470 1.00 0.00 C ATOM 384 C PRO A 742 -0.337 7.851 1.341 1.00 0.00 C ATOM 385 O PRO A 742 -0.008 8.060 0.182 1.00 0.00 O ATOM 386 CB PRO A 742 0.797 9.661 2.683 1.00 0.00 C ATOM 387 CG PRO A 742 2.246 9.961 2.436 1.00 0.00 C ATOM 388 CD PRO A 742 2.846 8.760 1.767 1.00 0.00 C ATOM 0 HA PRO A 742 0.202 7.668 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 742 0.162 10.225 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.509 9.946 3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.353 10.844 1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.759 10.174 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.886 8.881 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.866 8.578 2.106 1.00 0.00 H new ATOM 396 N VAL A 743 -1.491 7.298 1.666 1.00 0.00 N ATOM 397 CA VAL A 743 -2.497 7.020 0.656 1.00 0.00 C ATOM 398 C VAL A 743 -3.889 7.505 1.058 1.00 0.00 C ATOM 399 O VAL A 743 -4.442 7.108 2.081 1.00 0.00 O ATOM 400 CB VAL A 743 -2.551 5.525 0.296 1.00 0.00 C ATOM 401 CG1 VAL A 743 -2.447 4.659 1.526 1.00 0.00 C ATOM 402 CG2 VAL A 743 -3.806 5.208 -0.491 1.00 0.00 C ATOM 0 H VAL A 743 -1.755 7.034 2.615 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.189 7.583 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 743 -1.690 5.302 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -2.488 3.609 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -1.503 4.859 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.275 4.882 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -3.824 4.146 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -4.683 5.458 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -3.816 5.792 -1.411 1.00 0.00 H new ATOM 412 N ALA A 744 -4.438 8.380 0.240 1.00 0.00 N ATOM 413 CA ALA A 744 -5.832 8.755 0.335 1.00 0.00 C ATOM 414 C ALA A 744 -6.656 7.686 -0.354 1.00 0.00 C ATOM 415 O ALA A 744 -6.756 7.631 -1.579 1.00 0.00 O ATOM 416 CB ALA A 744 -6.069 10.127 -0.261 1.00 0.00 C ATOM 0 H ALA A 744 -3.930 8.850 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.133 8.822 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.125 10.383 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.472 10.865 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.780 10.122 -1.312 1.00 0.00 H new ATOM 422 N LEU A 745 -7.211 6.820 0.457 1.00 0.00 N ATOM 423 CA LEU A 745 -7.806 5.591 -0.010 1.00 0.00 C ATOM 424 C LEU A 745 -9.231 5.814 -0.484 1.00 0.00 C ATOM 425 O LEU A 745 -9.838 6.847 -0.204 1.00 0.00 O ATOM 426 CB LEU A 745 -7.769 4.588 1.131 1.00 0.00 C ATOM 427 CG LEU A 745 -6.512 4.699 1.981 1.00 0.00 C ATOM 428 CD1 LEU A 745 -6.870 4.856 3.432 1.00 0.00 C ATOM 429 CD2 LEU A 745 -5.614 3.498 1.783 1.00 0.00 C ATOM 0 H LEU A 745 -7.263 6.948 1.468 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.244 5.212 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.643 4.735 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -7.837 3.580 0.723 1.00 0.00 H new ATOM 0 HG LEU A 745 -5.965 5.585 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -5.959 4.934 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.467 5.758 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.444 3.990 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.723 3.604 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.149 2.592 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.321 3.431 0.735 1.00 0.00 H new ATOM 441 N LYS A 746 -9.753 4.840 -1.198 1.00 0.00 N ATOM 442 CA LYS A 746 -11.091 4.920 -1.738 1.00 0.00 C ATOM 443 C LYS A 746 -11.967 3.871 -1.088 1.00 0.00 C ATOM 444 O LYS A 746 -11.476 2.922 -0.477 1.00 0.00 O ATOM 445 CB LYS A 746 -11.071 4.709 -3.241 1.00 0.00 C ATOM 446 CG LYS A 746 -12.213 5.383 -3.995 1.00 0.00 C ATOM 447 CD LYS A 746 -12.144 6.896 -3.874 1.00 0.00 C ATOM 448 CE LYS A 746 -13.249 7.570 -4.667 1.00 0.00 C ATOM 449 NZ LYS A 746 -13.181 9.052 -4.565 1.00 0.00 N ATOM 0 H LYS A 746 -9.263 3.973 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.493 5.911 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.125 5.081 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -11.101 3.639 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -12.174 5.099 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.167 5.029 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -12.222 7.182 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -11.175 7.246 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -13.177 7.275 -5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -14.218 7.225 -4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -13.952 9.474 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -13.276 9.336 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -12.267 9.384 -4.934 1.00 0.00 H new ATOM 463 N GLY A 747 -13.252 4.034 -1.258 1.00 0.00 N ATOM 464 CA GLY A 747 -14.208 3.154 -0.617 1.00 0.00 C ATOM 465 C GLY A 747 -14.617 3.675 0.745 1.00 0.00 C ATOM 466 O GLY A 747 -13.772 3.993 1.574 1.00 0.00 O ATOM 0 H GLY A 747 -13.667 4.767 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.091 3.052 -1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.775 2.159 -0.512 1.00 0.00 H new ATOM 470 N GLN A 748 -15.911 3.748 0.985 1.00 0.00 N ATOM 471 CA GLN A 748 -16.417 4.356 2.208 1.00 0.00 C ATOM 472 C GLN A 748 -17.070 3.327 3.117 1.00 0.00 C ATOM 473 O GLN A 748 -18.102 2.741 2.781 1.00 0.00 O ATOM 474 CB GLN A 748 -17.395 5.479 1.869 1.00 0.00 C ATOM 475 CG GLN A 748 -18.405 5.104 0.795 1.00 0.00 C ATOM 476 CD GLN A 748 -18.339 6.028 -0.403 1.00 0.00 C ATOM 477 OE1 GLN A 748 -19.057 7.024 -0.475 1.00 0.00 O ATOM 478 NE2 GLN A 748 -17.458 5.717 -1.341 1.00 0.00 N ATOM 0 H GLN A 748 -16.632 3.397 0.355 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.571 4.776 2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -17.930 5.769 2.773 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -16.832 6.352 1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -18.224 4.079 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -19.409 5.132 1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -16.882 4.881 -1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -17.356 6.313 -2.162 1.00 0.00 H new ATOM 487 N GLY A 749 -16.450 3.110 4.264 1.00 0.00 N ATOM 488 CA GLY A 749 -16.927 2.116 5.197 1.00 0.00 C ATOM 489 C GLY A 749 -15.849 1.114 5.518 1.00 0.00 C ATOM 490 O GLY A 749 -14.714 1.279 5.090 1.00 0.00 O ATOM 0 H GLY A 749 -15.615 3.611 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.260 2.603 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -17.792 1.603 4.776 1.00 0.00 H new ATOM 494 N PRO A 750 -16.168 0.073 6.286 1.00 0.00 N ATOM 495 CA PRO A 750 -15.202 -0.956 6.654 1.00 0.00 C ATOM 496 C PRO A 750 -14.800 -1.828 5.463 1.00 0.00 C ATOM 497 O PRO A 750 -15.465 -2.818 5.143 1.00 0.00 O ATOM 498 CB PRO A 750 -15.938 -1.786 7.715 1.00 0.00 C ATOM 499 CG PRO A 750 -17.145 -0.986 8.083 1.00 0.00 C ATOM 500 CD PRO A 750 -17.482 -0.169 6.879 1.00 0.00 C ATOM 0 HA PRO A 750 -14.268 -0.525 7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.220 -2.763 7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.304 -1.962 8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -17.975 -1.637 8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -16.942 -0.348 8.943 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.143 -0.704 6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -17.984 0.761 7.146 1.00 0.00 H new ATOM 508 N PHE A 751 -13.708 -1.450 4.816 1.00 0.00 N ATOM 509 CA PHE A 751 -13.166 -2.201 3.691 1.00 0.00 C ATOM 510 C PHE A 751 -11.857 -2.877 4.083 1.00 0.00 C ATOM 511 O PHE A 751 -11.042 -2.289 4.788 1.00 0.00 O ATOM 512 CB PHE A 751 -12.921 -1.266 2.503 1.00 0.00 C ATOM 513 CG PHE A 751 -14.181 -0.822 1.818 1.00 0.00 C ATOM 514 CD1 PHE A 751 -14.868 0.310 2.227 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.684 -1.553 0.760 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.028 0.695 1.589 1.00 0.00 C ATOM 517 CE2 PHE A 751 -15.841 -1.167 0.120 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.514 -0.042 0.535 1.00 0.00 C ATOM 0 H PHE A 751 -13.172 -0.615 5.055 1.00 0.00 H new ATOM 0 HA PHE A 751 -13.890 -2.965 3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.377 -0.387 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.283 -1.772 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.491 0.896 3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.163 -2.440 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.556 1.578 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.220 -1.748 -0.708 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.422 0.262 0.035 1.00 0.00 H new ATOM 528 N THR A 752 -11.649 -4.106 3.635 1.00 0.00 N ATOM 529 CA THR A 752 -10.393 -4.791 3.905 1.00 0.00 C ATOM 530 C THR A 752 -9.418 -4.518 2.783 1.00 0.00 C ATOM 531 O THR A 752 -9.583 -5.010 1.672 1.00 0.00 O ATOM 532 CB THR A 752 -10.573 -6.311 4.100 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.456 -6.557 5.202 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.234 -6.982 4.358 1.00 0.00 C ATOM 0 H THR A 752 -12.323 -4.644 3.090 1.00 0.00 H new ATOM 0 HA THR A 752 -10.001 -4.400 4.844 1.00 0.00 H new ATOM 0 HB THR A 752 -11.001 -6.728 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 752 -11.494 -5.763 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.384 -8.053 4.493 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.572 -6.812 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 752 -8.784 -6.563 5.258 1.00 0.00 H new ATOM 542 N LEU A 753 -8.418 -3.714 3.083 1.00 0.00 N ATOM 543 CA LEU A 753 -7.507 -3.226 2.073 1.00 0.00 C ATOM 544 C LEU A 753 -6.212 -4.033 2.101 1.00 0.00 C ATOM 545 O LEU A 753 -5.506 -4.061 3.111 1.00 0.00 O ATOM 546 CB LEU A 753 -7.242 -1.740 2.315 1.00 0.00 C ATOM 547 CG LEU A 753 -6.840 -0.926 1.082 1.00 0.00 C ATOM 548 CD1 LEU A 753 -6.968 0.544 1.380 1.00 0.00 C ATOM 549 CD2 LEU A 753 -5.423 -1.252 0.636 1.00 0.00 C ATOM 0 H LEU A 753 -8.217 -3.384 4.027 1.00 0.00 H new ATOM 0 HA LEU A 753 -7.949 -3.345 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.140 -1.295 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.453 -1.648 3.061 1.00 0.00 H new ATOM 0 HG LEU A 753 -7.512 -1.191 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -6.681 1.120 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -8.001 0.773 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -6.315 0.805 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -5.171 -0.656 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -4.726 -1.023 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -5.354 -2.311 0.387 1.00 0.00 H new ATOM 561 N THR A 754 -5.922 -4.699 0.997 1.00 0.00 N ATOM 562 CA THR A 754 -4.736 -5.529 0.882 1.00 0.00 C ATOM 563 C THR A 754 -3.772 -4.963 -0.157 1.00 0.00 C ATOM 564 O THR A 754 -4.197 -4.525 -1.231 1.00 0.00 O ATOM 565 CB THR A 754 -5.108 -6.955 0.466 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.353 -7.343 1.070 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.018 -7.905 0.895 1.00 0.00 C ATOM 0 H THR A 754 -6.500 -4.680 0.157 1.00 0.00 H new ATOM 0 HA THR A 754 -4.256 -5.542 1.861 1.00 0.00 H new ATOM 0 HB THR A 754 -5.218 -6.990 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.182 -7.996 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.283 -8.920 0.599 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.080 -7.621 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 754 -3.903 -7.861 1.978 1.00 0.00 H new ATOM 575 N TYR A 755 -2.480 -4.980 0.152 1.00 0.00 N ATOM 576 CA TYR A 755 -1.476 -4.497 -0.782 1.00 0.00 C ATOM 577 C TYR A 755 -0.173 -5.291 -0.661 1.00 0.00 C ATOM 578 O TYR A 755 0.131 -5.857 0.393 1.00 0.00 O ATOM 579 CB TYR A 755 -1.223 -2.999 -0.569 1.00 0.00 C ATOM 580 CG TYR A 755 -0.938 -2.615 0.868 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.337 -2.732 1.408 1.00 0.00 C ATOM 582 CD2 TYR A 755 -1.949 -2.124 1.683 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.591 -2.369 2.714 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.702 -1.763 2.992 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.427 -1.889 3.502 1.00 0.00 C ATOM 586 OH TYR A 755 -0.162 -1.528 4.802 1.00 0.00 O ATOM 0 H TYR A 755 -2.107 -5.322 1.038 1.00 0.00 H new ATOM 0 HA TYR A 755 -1.858 -4.644 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.380 -2.693 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.093 -2.442 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 755 1.141 -3.113 0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -2.948 -2.023 1.285 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.589 -2.462 3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.501 -1.385 3.612 1.00 0.00 H new ATOM 0 HH TYR A 755 -0.088 -2.333 5.356 1.00 0.00 H new ATOM 596 N ASP A 756 0.580 -5.326 -1.754 1.00 0.00 N ATOM 597 CA ASP A 756 1.839 -6.059 -1.820 1.00 0.00 C ATOM 598 C ASP A 756 3.014 -5.104 -1.940 1.00 0.00 C ATOM 599 O ASP A 756 3.091 -4.314 -2.880 1.00 0.00 O ATOM 600 CB ASP A 756 1.869 -7.013 -3.022 1.00 0.00 C ATOM 601 CG ASP A 756 1.199 -8.354 -2.771 1.00 0.00 C ATOM 602 OD1 ASP A 756 1.128 -8.794 -1.609 1.00 0.00 O ATOM 603 OD2 ASP A 756 0.767 -8.995 -3.757 1.00 0.00 O ATOM 0 H ASP A 756 0.335 -4.847 -2.620 1.00 0.00 H new ATOM 0 HA ASP A 756 1.918 -6.635 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 756 1.381 -6.529 -3.868 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.906 -7.186 -3.308 1.00 0.00 H new ATOM 608 N ILE A 757 3.917 -5.177 -0.983 1.00 0.00 N ATOM 609 CA ILE A 757 5.199 -4.506 -1.083 1.00 0.00 C ATOM 610 C ILE A 757 6.165 -5.447 -1.784 1.00 0.00 C ATOM 611 O ILE A 757 6.752 -6.326 -1.161 1.00 0.00 O ATOM 612 CB ILE A 757 5.748 -4.116 0.313 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.939 -2.963 0.901 1.00 0.00 C ATOM 614 CG2 ILE A 757 7.219 -3.755 0.252 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.638 -3.397 1.537 1.00 0.00 C ATOM 0 H ILE A 757 3.785 -5.700 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 757 5.081 -3.582 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 757 5.647 -4.985 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.545 -2.449 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.725 -2.241 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.570 -3.487 1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.788 -4.609 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 757 7.358 -2.909 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 757 3.118 -2.525 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 757 3.012 -3.884 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.845 -4.095 2.348 1.00 0.00 H new ATOM 627 N ILE A 758 6.311 -5.284 -3.082 1.00 0.00 N ATOM 628 CA ILE A 758 7.043 -6.250 -3.866 1.00 0.00 C ATOM 629 C ILE A 758 8.489 -5.836 -4.076 1.00 0.00 C ATOM 630 O ILE A 758 8.800 -4.665 -4.283 1.00 0.00 O ATOM 631 CB ILE A 758 6.340 -6.531 -5.208 1.00 0.00 C ATOM 632 CG1 ILE A 758 6.318 -5.307 -6.115 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.926 -6.999 -4.951 1.00 0.00 C ATOM 634 CD1 ILE A 758 7.415 -5.317 -7.156 1.00 0.00 C ATOM 0 H ILE A 758 5.935 -4.497 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 758 7.057 -7.179 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 758 6.907 -7.308 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.351 -5.251 -6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.413 -4.409 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.430 -7.197 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.947 -7.912 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.379 -6.226 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 758 7.343 -4.418 -7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.386 -5.342 -6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 758 7.308 -6.198 -7.789 1.00 0.00 H new ATOM 646 N GLU A 759 9.361 -6.819 -4.007 1.00 0.00 N ATOM 647 CA GLU A 759 10.787 -6.600 -4.118 1.00 0.00 C ATOM 648 C GLU A 759 11.221 -6.835 -5.552 1.00 0.00 C ATOM 649 O GLU A 759 11.359 -7.974 -5.997 1.00 0.00 O ATOM 650 CB GLU A 759 11.511 -7.546 -3.176 1.00 0.00 C ATOM 651 CG GLU A 759 10.811 -7.680 -1.839 1.00 0.00 C ATOM 652 CD GLU A 759 11.472 -8.675 -0.913 1.00 0.00 C ATOM 653 OE1 GLU A 759 10.751 -9.380 -0.173 1.00 0.00 O ATOM 654 OE2 GLU A 759 12.717 -8.771 -0.916 1.00 0.00 O ATOM 0 H GLU A 759 9.100 -7.796 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 759 11.033 -5.574 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 759 11.589 -8.528 -3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 759 12.528 -7.187 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.783 -6.705 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 759 9.777 -7.982 -2.007 1.00 0.00 H new ATOM 661 N THR A 760 11.452 -5.752 -6.261 1.00 0.00 N ATOM 662 CA THR A 760 11.639 -5.810 -7.702 1.00 0.00 C ATOM 663 C THR A 760 13.060 -6.232 -8.055 1.00 0.00 C ATOM 664 O THR A 760 13.356 -6.573 -9.201 1.00 0.00 O ATOM 665 CB THR A 760 11.284 -4.450 -8.353 1.00 0.00 C ATOM 666 OG1 THR A 760 12.318 -4.004 -9.242 1.00 0.00 O ATOM 667 CG2 THR A 760 11.043 -3.401 -7.285 1.00 0.00 C ATOM 0 H THR A 760 11.516 -4.814 -5.865 1.00 0.00 H new ATOM 0 HA THR A 760 10.962 -6.565 -8.101 1.00 0.00 H new ATOM 0 HB THR A 760 10.373 -4.594 -8.934 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.062 -3.145 -9.637 1.00 0.00 H new ATOM 0 HG21 THR A 760 10.795 -2.451 -7.758 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.218 -3.715 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 760 11.943 -3.282 -6.682 1.00 0.00 H new ATOM 739 N ARG A 765 8.454 -10.649 -2.464 1.00 0.00 N ATOM 740 CA ARG A 765 7.290 -9.822 -2.254 1.00 0.00 C ATOM 741 C ARG A 765 6.753 -9.960 -0.828 1.00 0.00 C ATOM 742 O ARG A 765 6.856 -11.022 -0.212 1.00 0.00 O ATOM 743 CB ARG A 765 6.229 -10.203 -3.287 1.00 0.00 C ATOM 744 CG ARG A 765 4.821 -9.865 -2.873 1.00 0.00 C ATOM 745 CD ARG A 765 3.849 -10.004 -4.033 1.00 0.00 C ATOM 746 NE ARG A 765 3.798 -11.367 -4.557 1.00 0.00 N ATOM 747 CZ ARG A 765 2.672 -12.001 -4.890 1.00 0.00 C ATOM 748 NH1 ARG A 765 1.488 -11.424 -4.706 1.00 0.00 N ATOM 749 NH2 ARG A 765 2.733 -13.223 -5.398 1.00 0.00 N ATOM 0 HA ARG A 765 7.564 -8.775 -2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.452 -9.696 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 765 6.293 -11.274 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 765 4.513 -10.521 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.788 -8.845 -2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 765 2.853 -9.706 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 765 4.140 -9.321 -4.831 1.00 0.00 H new ATOM 0 HE ARG A 765 4.680 -11.866 -4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 765 1.434 -10.487 -4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 765 0.634 -11.918 -4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 765 3.638 -13.675 -5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 765 1.875 -13.712 -5.654 1.00 0.00 H new ATOM 763 N LYS A 766 6.208 -8.867 -0.313 1.00 0.00 N ATOM 764 CA LYS A 766 5.604 -8.825 1.002 1.00 0.00 C ATOM 765 C LYS A 766 4.133 -8.481 0.851 1.00 0.00 C ATOM 766 O LYS A 766 3.755 -7.750 -0.051 1.00 0.00 O ATOM 767 CB LYS A 766 6.306 -7.776 1.879 1.00 0.00 C ATOM 768 CG LYS A 766 6.036 -7.936 3.373 1.00 0.00 C ATOM 769 CD LYS A 766 4.804 -7.169 3.828 1.00 0.00 C ATOM 770 CE LYS A 766 4.532 -7.380 5.313 1.00 0.00 C ATOM 771 NZ LYS A 766 4.144 -8.783 5.623 1.00 0.00 N ATOM 0 H LYS A 766 6.175 -7.975 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 766 5.709 -9.797 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 766 7.381 -7.833 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.985 -6.782 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.908 -8.993 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.904 -7.590 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.942 -6.106 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.939 -7.492 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 766 5.422 -7.117 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 766 3.737 -6.706 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 3.904 -8.862 6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 3.319 -9.050 5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 4.938 -9.419 5.405 1.00 0.00 H new ATOM 785 N THR A 767 3.313 -9.022 1.714 1.00 0.00 N ATOM 786 CA THR A 767 1.887 -8.751 1.684 1.00 0.00 C ATOM 787 C THR A 767 1.431 -8.144 3.008 1.00 0.00 C ATOM 788 O THR A 767 1.814 -8.618 4.079 1.00 0.00 O ATOM 789 CB THR A 767 1.094 -10.041 1.406 1.00 0.00 C ATOM 790 OG1 THR A 767 1.526 -10.611 0.163 1.00 0.00 O ATOM 791 CG2 THR A 767 -0.403 -9.769 1.352 1.00 0.00 C ATOM 0 H THR A 767 3.605 -9.659 2.455 1.00 0.00 H new ATOM 0 HA THR A 767 1.696 -8.039 0.881 1.00 0.00 H new ATOM 0 HB THR A 767 1.283 -10.740 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 767 1.239 -10.037 -0.578 1.00 0.00 H new ATOM 0 HG21 THR A 767 -0.935 -10.700 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 767 -0.733 -9.358 2.306 1.00 0.00 H new ATOM 0 HG23 THR A 767 -0.614 -9.054 0.557 1.00 0.00 H new ATOM 799 N PHE A 768 0.639 -7.084 2.932 1.00 0.00 N ATOM 800 CA PHE A 768 0.104 -6.446 4.114 1.00 0.00 C ATOM 801 C PHE A 768 -1.376 -6.163 3.902 1.00 0.00 C ATOM 802 O PHE A 768 -1.784 -5.701 2.835 1.00 0.00 O ATOM 803 CB PHE A 768 0.845 -5.142 4.398 1.00 0.00 C ATOM 804 CG PHE A 768 0.867 -4.758 5.848 1.00 0.00 C ATOM 805 CD1 PHE A 768 -0.316 -4.579 6.534 1.00 0.00 C ATOM 806 CD2 PHE A 768 2.063 -4.565 6.518 1.00 0.00 C ATOM 807 CE1 PHE A 768 -0.316 -4.217 7.868 1.00 0.00 C ATOM 808 CE2 PHE A 768 2.074 -4.203 7.852 1.00 0.00 C ATOM 809 CZ PHE A 768 0.882 -4.028 8.528 1.00 0.00 C ATOM 0 H PHE A 768 0.354 -6.649 2.054 1.00 0.00 H new ATOM 0 HA PHE A 768 0.234 -7.110 4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.871 -5.233 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 768 0.379 -4.339 3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 768 -1.256 -4.724 6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 768 2.997 -4.699 5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 768 -1.250 -4.082 8.393 1.00 0.00 H new ATOM 0 HE2 PHE A 768 3.013 -4.057 8.365 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.887 -3.744 9.570 1.00 0.00 H new ATOM 819 N GLU A 769 -2.169 -6.451 4.912 1.00 0.00 N ATOM 820 CA GLU A 769 -3.601 -6.267 4.839 1.00 0.00 C ATOM 821 C GLU A 769 -4.121 -5.533 6.066 1.00 0.00 C ATOM 822 O GLU A 769 -3.733 -5.839 7.195 1.00 0.00 O ATOM 823 CB GLU A 769 -4.262 -7.631 4.716 1.00 0.00 C ATOM 824 CG GLU A 769 -5.778 -7.585 4.664 1.00 0.00 C ATOM 825 CD GLU A 769 -6.381 -8.948 4.425 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.502 -9.727 5.391 1.00 0.00 O ATOM 827 OE2 GLU A 769 -6.735 -9.247 3.268 1.00 0.00 O ATOM 0 H GLU A 769 -1.839 -6.818 5.805 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.842 -5.658 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -3.893 -8.121 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -3.957 -8.248 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.160 -7.180 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.092 -6.906 3.871 1.00 0.00 H new ATOM 834 N ILE A 770 -4.990 -4.563 5.840 1.00 0.00 N ATOM 835 CA ILE A 770 -5.624 -3.831 6.916 1.00 0.00 C ATOM 836 C ILE A 770 -7.129 -3.879 6.715 1.00 0.00 C ATOM 837 O ILE A 770 -7.649 -3.342 5.739 1.00 0.00 O ATOM 838 CB ILE A 770 -5.131 -2.366 6.955 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.641 -2.322 7.295 1.00 0.00 C ATOM 840 CG2 ILE A 770 -5.920 -1.548 7.967 1.00 0.00 C ATOM 841 CD1 ILE A 770 -2.830 -1.500 6.328 1.00 0.00 C ATOM 0 H ILE A 770 -5.274 -4.263 4.907 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.362 -4.291 7.869 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.288 -1.930 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.517 -1.915 8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.250 -3.339 7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.551 -0.522 7.972 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -6.976 -1.553 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -5.799 -1.982 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -1.783 -1.512 6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -2.924 -1.919 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.195 -0.473 6.328 1.00 0.00 H new ATOM 853 N LYS A 771 -7.824 -4.574 7.597 1.00 0.00 N ATOM 854 CA LYS A 771 -9.250 -4.732 7.468 1.00 0.00 C ATOM 855 C LYS A 771 -9.980 -3.539 8.047 1.00 0.00 C ATOM 856 O LYS A 771 -9.464 -2.842 8.921 1.00 0.00 O ATOM 857 CB LYS A 771 -9.706 -6.008 8.156 1.00 0.00 C ATOM 858 CG LYS A 771 -8.623 -7.069 8.202 1.00 0.00 C ATOM 859 CD LYS A 771 -9.182 -8.446 8.487 1.00 0.00 C ATOM 860 CE LYS A 771 -9.921 -9.005 7.279 1.00 0.00 C ATOM 861 NZ LYS A 771 -10.396 -10.396 7.501 1.00 0.00 N ATOM 0 H LYS A 771 -7.417 -5.037 8.410 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.488 -4.799 6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.023 -5.774 9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.576 -6.406 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.092 -7.085 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -7.894 -6.809 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.371 -9.120 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -9.860 -8.396 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -10.773 -8.365 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.262 -8.983 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -10.893 -10.733 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -9.582 -11.014 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -11.046 -10.416 8.313 1.00 0.00 H new ATOM 875 N GLU A 772 -11.182 -3.330 7.542 1.00 0.00 N ATOM 876 CA GLU A 772 -12.065 -2.262 7.995 1.00 0.00 C ATOM 877 C GLU A 772 -11.380 -0.898 7.950 1.00 0.00 C ATOM 878 O GLU A 772 -11.428 -0.156 8.933 1.00 0.00 O ATOM 879 CB GLU A 772 -12.551 -2.513 9.428 1.00 0.00 C ATOM 880 CG GLU A 772 -12.711 -3.974 9.801 1.00 0.00 C ATOM 881 CD GLU A 772 -13.271 -4.142 11.194 1.00 0.00 C ATOM 882 OE1 GLU A 772 -14.476 -4.432 11.332 1.00 0.00 O ATOM 883 OE2 GLU A 772 -12.506 -3.974 12.166 1.00 0.00 O ATOM 0 H GLU A 772 -11.580 -3.902 6.797 1.00 0.00 H new ATOM 0 HA GLU A 772 -12.914 -2.259 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -11.848 -2.051 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -13.509 -2.011 9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.371 -4.462 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -11.744 -4.473 9.736 1.00 0.00 H new ATOM 890 N ILE A 773 -10.732 -0.552 6.842 1.00 0.00 N ATOM 891 CA ILE A 773 -10.182 0.783 6.729 1.00 0.00 C ATOM 892 C ILE A 773 -11.332 1.744 6.478 1.00 0.00 C ATOM 893 O ILE A 773 -12.061 1.639 5.494 1.00 0.00 O ATOM 894 CB ILE A 773 -9.040 0.914 5.660 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.524 1.451 4.309 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.328 -0.417 5.453 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.572 2.972 4.225 1.00 0.00 C ATOM 0 H ILE A 773 -10.581 -1.159 6.036 1.00 0.00 H new ATOM 0 HA ILE A 773 -9.683 1.034 7.665 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.344 1.647 6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -8.867 1.075 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.520 1.055 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.542 -0.297 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -7.888 -0.745 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.044 -1.163 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -9.924 3.271 3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.252 3.357 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.574 3.377 4.392 1.00 0.00 H new ATOM 909 N LYS A 774 -11.542 2.623 7.431 1.00 0.00 N ATOM 910 CA LYS A 774 -12.619 3.588 7.368 1.00 0.00 C ATOM 911 C LYS A 774 -12.002 4.972 7.316 1.00 0.00 C ATOM 912 O LYS A 774 -12.546 5.949 7.836 1.00 0.00 O ATOM 913 CB LYS A 774 -13.509 3.421 8.602 1.00 0.00 C ATOM 914 CG LYS A 774 -13.850 1.964 8.886 1.00 0.00 C ATOM 915 CD LYS A 774 -14.450 1.776 10.265 1.00 0.00 C ATOM 916 CE LYS A 774 -14.562 0.301 10.619 1.00 0.00 C ATOM 917 NZ LYS A 774 -15.093 0.099 11.993 1.00 0.00 N ATOM 0 H LYS A 774 -10.971 2.690 8.273 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.237 3.439 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.005 3.848 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -14.431 3.985 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -14.552 1.603 8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -12.949 1.358 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -13.833 2.285 11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -15.437 2.237 10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.214 -0.196 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -13.581 -0.168 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -15.154 -0.919 12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -14.457 0.551 12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -16.040 0.524 12.065 1.00 0.00 H new ATOM 931 N THR A 775 -10.838 5.024 6.689 1.00 0.00 N ATOM 932 CA THR A 775 -10.009 6.211 6.687 1.00 0.00 C ATOM 933 C THR A 775 -10.210 7.063 5.435 1.00 0.00 C ATOM 934 O THR A 775 -10.778 8.151 5.501 1.00 0.00 O ATOM 935 CB THR A 775 -8.535 5.813 6.761 1.00 0.00 C ATOM 936 OG1 THR A 775 -8.407 4.544 7.416 1.00 0.00 O ATOM 937 CG2 THR A 775 -7.738 6.865 7.512 1.00 0.00 C ATOM 0 H THR A 775 -10.444 4.241 6.167 1.00 0.00 H new ATOM 0 HA THR A 775 -10.303 6.801 7.556 1.00 0.00 H new ATOM 0 HB THR A 775 -8.142 5.737 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 775 -7.461 4.292 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 775 -6.691 6.566 7.555 1.00 0.00 H new ATOM 0 HG22 THR A 775 -7.821 7.822 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.129 6.964 8.525 1.00 0.00 H new ATOM 945 N ASN A 776 -9.695 6.555 4.312 1.00 0.00 N ATOM 946 CA ASN A 776 -9.718 7.241 3.013 1.00 0.00 C ATOM 947 C ASN A 776 -8.624 8.288 2.946 1.00 0.00 C ATOM 948 O ASN A 776 -8.511 9.026 1.973 1.00 0.00 O ATOM 949 CB ASN A 776 -11.081 7.862 2.703 1.00 0.00 C ATOM 950 CG ASN A 776 -12.190 6.830 2.622 1.00 0.00 C ATOM 951 OD1 ASN A 776 -13.360 7.143 2.844 1.00 0.00 O ATOM 952 ND2 ASN A 776 -11.829 5.586 2.343 1.00 0.00 N ATOM 0 H ASN A 776 -9.243 5.641 4.277 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.534 6.486 2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.326 8.593 3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.023 8.402 1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -12.531 4.847 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -10.849 5.367 2.165 1.00 0.00 H new ATOM 959 N GLU A 777 -7.812 8.306 3.989 1.00 0.00 N ATOM 960 CA GLU A 777 -6.650 9.173 4.093 1.00 0.00 C ATOM 961 C GLU A 777 -5.707 8.606 5.143 1.00 0.00 C ATOM 962 O GLU A 777 -5.670 9.067 6.283 1.00 0.00 O ATOM 963 CB GLU A 777 -7.073 10.590 4.461 1.00 0.00 C ATOM 964 CG GLU A 777 -7.424 11.434 3.251 1.00 0.00 C ATOM 965 CD GLU A 777 -7.705 12.877 3.596 1.00 0.00 C ATOM 966 OE1 GLU A 777 -8.887 13.221 3.801 1.00 0.00 O ATOM 967 OE2 GLU A 777 -6.746 13.675 3.651 1.00 0.00 O ATOM 0 H GLU A 777 -7.944 7.707 4.804 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.139 9.217 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.934 10.545 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -6.267 11.073 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -6.603 11.391 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -8.298 11.007 2.759 1.00 0.00 H new ATOM 974 N TYR A 778 -4.946 7.600 4.752 1.00 0.00 N ATOM 975 CA TYR A 778 -4.129 6.851 5.705 1.00 0.00 C ATOM 976 C TYR A 778 -2.727 6.691 5.168 1.00 0.00 C ATOM 977 O TYR A 778 -2.546 6.303 4.023 1.00 0.00 O ATOM 978 CB TYR A 778 -4.732 5.473 6.006 1.00 0.00 C ATOM 979 CG TYR A 778 -3.911 4.651 6.975 1.00 0.00 C ATOM 980 CD1 TYR A 778 -3.961 4.895 8.341 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.078 3.633 6.522 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.203 4.153 9.226 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.320 2.885 7.402 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.386 3.149 8.752 1.00 0.00 C ATOM 985 OH TYR A 778 -1.621 2.414 9.631 1.00 0.00 O ATOM 0 H TYR A 778 -4.873 7.279 3.786 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.102 7.416 6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.734 5.605 6.413 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -4.838 4.920 5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.603 5.678 8.718 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.023 3.424 5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.250 4.359 10.285 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -1.679 2.098 7.033 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.103 1.746 9.135 1.00 0.00 H new ATOM 995 N VAL A 779 -1.728 6.998 5.971 1.00 0.00 N ATOM 996 CA VAL A 779 -0.378 6.792 5.518 1.00 0.00 C ATOM 997 C VAL A 779 0.149 5.454 6.003 1.00 0.00 C ATOM 998 O VAL A 779 0.081 5.106 7.190 1.00 0.00 O ATOM 999 CB VAL A 779 0.578 7.965 5.832 1.00 0.00 C ATOM 1000 CG1 VAL A 779 -0.172 9.167 6.348 1.00 0.00 C ATOM 1001 CG2 VAL A 779 1.695 7.532 6.733 1.00 0.00 C ATOM 0 H VAL A 779 -1.824 7.380 6.912 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.414 6.765 4.429 1.00 0.00 H new ATOM 0 HB VAL A 779 1.045 8.281 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 779 0.532 9.972 6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -0.889 9.499 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -0.702 8.900 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 779 2.349 8.380 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 779 1.283 7.161 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 779 2.266 6.740 6.249 1.00 0.00 H new ATOM 1011 N ILE A 780 0.615 4.693 5.039 1.00 0.00 N ATOM 1012 CA ILE A 780 1.058 3.337 5.247 1.00 0.00 C ATOM 1013 C ILE A 780 2.530 3.310 5.611 1.00 0.00 C ATOM 1014 O ILE A 780 3.309 4.124 5.134 1.00 0.00 O ATOM 1015 CB ILE A 780 0.823 2.518 3.965 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.660 2.323 3.701 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.523 1.172 4.015 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.903 1.630 2.388 1.00 0.00 C ATOM 0 H ILE A 780 0.697 5.007 4.072 1.00 0.00 H new ATOM 0 HA ILE A 780 0.489 2.902 6.068 1.00 0.00 H new ATOM 0 HB ILE A 780 1.253 3.091 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -1.100 1.738 4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -1.160 3.291 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.331 0.627 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.596 1.324 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.146 0.597 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.975 1.508 2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.486 2.228 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.424 0.651 2.399 1.00 0.00 H new ATOM 1030 N LYS A 781 2.904 2.376 6.460 1.00 0.00 N ATOM 1031 CA LYS A 781 4.288 2.218 6.839 1.00 0.00 C ATOM 1032 C LYS A 781 4.772 0.849 6.414 1.00 0.00 C ATOM 1033 O LYS A 781 4.310 -0.169 6.933 1.00 0.00 O ATOM 1034 CB LYS A 781 4.490 2.405 8.351 1.00 0.00 C ATOM 1035 CG LYS A 781 4.443 3.856 8.826 1.00 0.00 C ATOM 1036 CD LYS A 781 3.035 4.437 8.818 1.00 0.00 C ATOM 1037 CE LYS A 781 2.121 3.731 9.808 1.00 0.00 C ATOM 1038 NZ LYS A 781 0.785 4.375 9.885 1.00 0.00 N ATOM 0 H LYS A 781 2.265 1.714 6.901 1.00 0.00 H new ATOM 0 HA LYS A 781 4.869 2.990 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.723 1.839 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.452 1.976 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.850 3.916 9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 781 5.085 4.463 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 781 3.080 5.499 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.615 4.356 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 781 2.005 2.688 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 781 2.583 3.735 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 0.059 3.650 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 0.776 5.064 10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 0.583 4.863 8.989 1.00 0.00 H new ATOM 1052 N THR A 782 5.670 0.818 5.448 1.00 0.00 N ATOM 1053 CA THR A 782 6.225 -0.442 5.005 1.00 0.00 C ATOM 1054 C THR A 782 7.215 -0.940 6.044 1.00 0.00 C ATOM 1055 O THR A 782 7.936 -0.135 6.645 1.00 0.00 O ATOM 1056 CB THR A 782 6.931 -0.337 3.644 1.00 0.00 C ATOM 1057 OG1 THR A 782 8.140 0.419 3.756 1.00 0.00 O ATOM 1058 CG2 THR A 782 6.010 0.293 2.630 1.00 0.00 C ATOM 0 H THR A 782 6.026 1.641 4.961 1.00 0.00 H new ATOM 0 HA THR A 782 5.396 -1.139 4.886 1.00 0.00 H new ATOM 0 HB THR A 782 7.189 -1.342 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.112 1.176 3.134 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.520 0.363 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 782 5.115 -0.319 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.729 1.291 2.965 1.00 0.00 H new ATOM 1066 N PRO A 783 7.250 -2.262 6.261 1.00 0.00 N ATOM 1067 CA PRO A 783 8.110 -2.901 7.270 1.00 0.00 C ATOM 1068 C PRO A 783 9.576 -2.490 7.157 1.00 0.00 C ATOM 1069 O PRO A 783 10.017 -1.977 6.131 1.00 0.00 O ATOM 1070 CB PRO A 783 7.963 -4.392 6.960 1.00 0.00 C ATOM 1071 CG PRO A 783 6.638 -4.516 6.296 1.00 0.00 C ATOM 1072 CD PRO A 783 6.441 -3.249 5.525 1.00 0.00 C ATOM 0 HA PRO A 783 7.816 -2.616 8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.765 -4.741 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 783 8.007 -4.991 7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.613 -5.382 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.845 -4.652 7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.777 -3.352 4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.390 -2.960 5.491 1.00 0.00 H new ATOM 1080 N VAL A 784 10.318 -2.712 8.231 1.00 0.00 N ATOM 1081 CA VAL A 784 11.738 -2.431 8.264 1.00 0.00 C ATOM 1082 C VAL A 784 12.487 -3.294 7.268 1.00 0.00 C ATOM 1083 O VAL A 784 12.544 -4.516 7.411 1.00 0.00 O ATOM 1084 CB VAL A 784 12.303 -2.656 9.679 1.00 0.00 C ATOM 1085 CG1 VAL A 784 13.824 -2.638 9.691 1.00 0.00 C ATOM 1086 CG2 VAL A 784 11.743 -1.605 10.609 1.00 0.00 C ATOM 0 H VAL A 784 9.949 -3.092 9.103 1.00 0.00 H new ATOM 0 HA VAL A 784 11.876 -1.385 7.989 1.00 0.00 H new ATOM 0 HB VAL A 784 11.999 -3.645 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 784 14.182 -2.800 10.708 1.00 0.00 H new ATOM 0 HG12 VAL A 784 14.202 -3.428 9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 784 14.179 -1.672 9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 784 12.139 -1.759 11.613 1.00 0.00 H new ATOM 0 HG22 VAL A 784 12.029 -0.615 10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 784 10.656 -1.682 10.632 1.00 0.00 H new ATOM 1096 N PHE A 785 13.049 -2.652 6.259 1.00 0.00 N ATOM 1097 CA PHE A 785 13.832 -3.352 5.257 1.00 0.00 C ATOM 1098 C PHE A 785 15.314 -3.114 5.484 1.00 0.00 C ATOM 1099 O PHE A 785 15.852 -2.062 5.140 1.00 0.00 O ATOM 1100 CB PHE A 785 13.431 -2.944 3.841 1.00 0.00 C ATOM 1101 CG PHE A 785 12.112 -3.522 3.427 1.00 0.00 C ATOM 1102 CD1 PHE A 785 10.969 -2.763 3.506 1.00 0.00 C ATOM 1103 CD2 PHE A 785 12.019 -4.826 2.969 1.00 0.00 C ATOM 1104 CE1 PHE A 785 9.744 -3.284 3.136 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.800 -5.357 2.595 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.659 -4.584 2.680 1.00 0.00 C ATOM 0 H PHE A 785 12.977 -1.645 6.112 1.00 0.00 H new ATOM 0 HA PHE A 785 13.627 -4.418 5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 785 13.382 -1.857 3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.201 -3.268 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.029 -1.745 3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.909 -5.434 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 785 8.855 -2.675 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.739 -6.374 2.237 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.703 -4.995 2.391 1.00 0.00 H new ATOM 1116 N THR A 786 15.974 -4.105 6.058 1.00 0.00 N ATOM 1117 CA THR A 786 17.380 -3.993 6.409 1.00 0.00 C ATOM 1118 C THR A 786 18.268 -4.357 5.230 1.00 0.00 C ATOM 1119 O THR A 786 19.413 -4.777 5.387 1.00 0.00 O ATOM 1120 CB THR A 786 17.690 -4.882 7.613 1.00 0.00 C ATOM 1121 OG1 THR A 786 17.401 -6.254 7.307 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.847 -4.433 8.788 1.00 0.00 C ATOM 0 H THR A 786 15.554 -5.004 6.293 1.00 0.00 H new ATOM 0 HA THR A 786 17.588 -2.956 6.674 1.00 0.00 H new ATOM 0 HB THR A 786 18.748 -4.796 7.861 1.00 0.00 H new ATOM 0 HG1 THR A 786 17.605 -6.813 8.086 1.00 0.00 H new ATOM 0 HG21 THR A 786 17.062 -5.062 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.080 -3.396 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.791 -4.517 8.532 1.00 0.00 H new ATOM 1130 N THR A 787 17.722 -4.164 4.050 1.00 0.00 N ATOM 1131 CA THR A 787 18.416 -4.465 2.815 1.00 0.00 C ATOM 1132 C THR A 787 18.044 -3.453 1.745 1.00 0.00 C ATOM 1133 O THR A 787 16.887 -3.389 1.324 1.00 0.00 O ATOM 1134 CB THR A 787 18.094 -5.879 2.312 1.00 0.00 C ATOM 1135 OG1 THR A 787 18.477 -6.856 3.290 1.00 0.00 O ATOM 1136 CG2 THR A 787 18.813 -6.161 1.004 1.00 0.00 C ATOM 0 H THR A 787 16.781 -3.793 3.918 1.00 0.00 H new ATOM 0 HA THR A 787 19.485 -4.411 3.020 1.00 0.00 H new ATOM 0 HB THR A 787 17.019 -5.941 2.144 1.00 0.00 H new ATOM 0 HG1 THR A 787 18.265 -7.753 2.957 1.00 0.00 H new ATOM 0 HG21 THR A 787 18.571 -7.168 0.665 1.00 0.00 H new ATOM 0 HG22 THR A 787 18.496 -5.439 0.251 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.889 -6.078 1.155 1.00 0.00 H new ATOM 1144 N GLY A 788 19.010 -2.619 1.366 1.00 0.00 N ATOM 1145 CA GLY A 788 18.829 -1.735 0.236 1.00 0.00 C ATOM 1146 C GLY A 788 18.314 -2.444 -1.000 1.00 0.00 C ATOM 1147 O GLY A 788 18.933 -3.386 -1.497 1.00 0.00 O ATOM 0 H GLY A 788 19.917 -2.543 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.131 -0.944 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 788 19.779 -1.255 0.002 1.00 0.00 H new ATOM 1151 N GLY A 789 17.171 -1.987 -1.474 1.00 0.00 N ATOM 1152 CA GLY A 789 16.556 -2.533 -2.663 1.00 0.00 C ATOM 1153 C GLY A 789 15.326 -1.734 -3.023 1.00 0.00 C ATOM 1154 O GLY A 789 14.933 -0.848 -2.267 1.00 0.00 O ATOM 0 H GLY A 789 16.644 -1.227 -1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.266 -2.516 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.286 -3.576 -2.496 1.00 0.00 H new ATOM 1158 N ASP A 790 14.713 -2.024 -4.154 1.00 0.00 N ATOM 1159 CA ASP A 790 13.534 -1.282 -4.566 1.00 0.00 C ATOM 1160 C ASP A 790 12.290 -2.083 -4.241 1.00 0.00 C ATOM 1161 O ASP A 790 12.237 -3.293 -4.491 1.00 0.00 O ATOM 1162 CB ASP A 790 13.584 -0.970 -6.058 1.00 0.00 C ATOM 1163 CG ASP A 790 12.624 0.131 -6.458 1.00 0.00 C ATOM 1164 OD1 ASP A 790 11.618 -0.163 -7.134 1.00 0.00 O ATOM 1165 OD2 ASP A 790 12.889 1.305 -6.123 1.00 0.00 O ATOM 0 H ASP A 790 15.006 -2.759 -4.798 1.00 0.00 H new ATOM 0 HA ASP A 790 13.508 -0.337 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 790 14.598 -0.678 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.350 -1.873 -6.622 1.00 0.00 H new ATOM 1170 N TYR A 791 11.307 -1.423 -3.659 1.00 0.00 N ATOM 1171 CA TYR A 791 10.082 -2.086 -3.259 1.00 0.00 C ATOM 1172 C TYR A 791 8.871 -1.332 -3.775 1.00 0.00 C ATOM 1173 O TYR A 791 8.647 -0.176 -3.424 1.00 0.00 O ATOM 1174 CB TYR A 791 10.013 -2.206 -1.735 1.00 0.00 C ATOM 1175 CG TYR A 791 11.215 -2.894 -1.132 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.309 -2.161 -0.699 1.00 0.00 C ATOM 1177 CD2 TYR A 791 11.259 -4.272 -1.012 1.00 0.00 C ATOM 1178 CE1 TYR A 791 13.419 -2.789 -0.162 1.00 0.00 C ATOM 1179 CE2 TYR A 791 12.363 -4.906 -0.473 1.00 0.00 C ATOM 1180 CZ TYR A 791 13.440 -4.161 -0.052 1.00 0.00 C ATOM 1181 OH TYR A 791 14.543 -4.791 0.484 1.00 0.00 O ATOM 0 H TYR A 791 11.334 -0.425 -3.452 1.00 0.00 H new ATOM 0 HA TYR A 791 10.080 -3.086 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 791 9.920 -1.209 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 791 9.113 -2.757 -1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.295 -1.084 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 791 10.417 -4.862 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 791 14.265 -2.205 0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 791 12.380 -5.982 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 791 15.226 -4.124 0.703 1.00 0.00 H new ATOM 1191 N ILE A 792 8.090 -1.993 -4.603 1.00 0.00 N ATOM 1192 CA ILE A 792 6.901 -1.392 -5.165 1.00 0.00 C ATOM 1193 C ILE A 792 5.683 -1.798 -4.360 1.00 0.00 C ATOM 1194 O ILE A 792 5.337 -2.975 -4.285 1.00 0.00 O ATOM 1195 CB ILE A 792 6.709 -1.785 -6.644 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.793 -1.135 -7.498 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.334 -1.358 -7.133 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.184 -1.940 -8.711 1.00 0.00 C ATOM 0 H ILE A 792 8.260 -2.953 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 792 7.023 -0.310 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 792 6.787 -2.869 -6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.446 -0.154 -7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.678 -0.973 -6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.215 -1.643 -8.178 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.566 -1.848 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.234 -0.277 -7.038 1.00 0.00 H new ATOM 0 HD11 ILE A 792 8.959 -1.410 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.563 -2.912 -8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.313 -2.081 -9.351 1.00 0.00 H new ATOM 1210 N LEU A 793 5.051 -0.822 -3.744 1.00 0.00 N ATOM 1211 CA LEU A 793 3.824 -1.064 -3.028 1.00 0.00 C ATOM 1212 C LEU A 793 2.675 -1.011 -4.019 1.00 0.00 C ATOM 1213 O LEU A 793 2.306 0.055 -4.512 1.00 0.00 O ATOM 1214 CB LEU A 793 3.650 -0.036 -1.904 1.00 0.00 C ATOM 1215 CG LEU A 793 2.434 -0.251 -0.993 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.723 0.243 0.416 1.00 0.00 C ATOM 1217 CD2 LEU A 793 1.223 0.473 -1.548 1.00 0.00 C ATOM 0 H LEU A 793 5.370 0.147 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 793 3.845 -2.048 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.549 -0.042 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.576 0.956 -2.351 1.00 0.00 H new ATOM 0 HG LEU A 793 2.226 -1.320 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 793 1.848 0.081 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 793 3.571 -0.304 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 793 2.957 1.307 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 793 0.369 0.311 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 793 1.435 1.540 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 793 0.994 0.089 -2.542 1.00 0.00 H new ATOM 1229 N SER A 794 2.143 -2.175 -4.324 1.00 0.00 N ATOM 1230 CA SER A 794 1.075 -2.307 -5.293 1.00 0.00 C ATOM 1231 C SER A 794 -0.179 -2.821 -4.597 1.00 0.00 C ATOM 1232 O SER A 794 -0.094 -3.569 -3.625 1.00 0.00 O ATOM 1233 CB SER A 794 1.512 -3.271 -6.403 1.00 0.00 C ATOM 1234 OG SER A 794 0.571 -3.316 -7.462 1.00 0.00 O ATOM 0 H SER A 794 2.439 -3.058 -3.907 1.00 0.00 H new ATOM 0 HA SER A 794 0.854 -1.337 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 794 2.482 -2.962 -6.792 1.00 0.00 H new ATOM 0 HB3 SER A 794 1.639 -4.270 -5.987 1.00 0.00 H new ATOM 0 HG SER A 794 0.884 -3.939 -8.151 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.337 -2.418 -5.086 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.595 -2.776 -4.456 1.00 0.00 C ATOM 1242 C LEU A 795 -3.036 -4.170 -4.888 1.00 0.00 C ATOM 1243 O LEU A 795 -2.990 -4.508 -6.071 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.658 -1.746 -4.825 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.253 -0.292 -4.598 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -4.386 0.630 -4.992 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.840 -0.065 -3.150 1.00 0.00 C ATOM 0 H LEU A 795 -1.433 -1.840 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.460 -2.784 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -3.919 -1.875 -5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.558 -1.951 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 795 -2.391 -0.067 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -4.087 1.665 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -4.623 0.485 -6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -5.265 0.405 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.556 0.978 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -3.675 -0.303 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -1.993 -0.707 -2.908 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.460 -4.980 -3.921 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.851 -6.355 -4.199 1.00 0.00 C ATOM 1261 C VAL A 796 -5.349 -6.477 -4.393 1.00 0.00 C ATOM 1262 O VAL A 796 -5.814 -6.934 -5.439 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.411 -7.304 -3.064 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.979 -8.703 -3.259 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.908 -7.352 -3.020 1.00 0.00 C ATOM 0 H VAL A 796 -3.541 -4.707 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.348 -6.643 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.797 -6.923 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.650 -9.346 -2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -5.068 -8.656 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.626 -9.110 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.589 -8.021 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.528 -7.719 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.517 -6.352 -2.834 1.00 0.00 H new ATOM 1275 N SER A 797 -6.102 -6.033 -3.402 1.00 0.00 N ATOM 1276 CA SER A 797 -7.535 -6.235 -3.405 1.00 0.00 C ATOM 1277 C SER A 797 -8.164 -5.582 -2.185 1.00 0.00 C ATOM 1278 O SER A 797 -7.468 -5.268 -1.223 1.00 0.00 O ATOM 1279 CB SER A 797 -7.825 -7.737 -3.403 1.00 0.00 C ATOM 1280 OG SER A 797 -7.330 -8.346 -2.218 1.00 0.00 O ATOM 0 H SER A 797 -5.744 -5.532 -2.589 1.00 0.00 H new ATOM 0 HA SER A 797 -7.963 -5.778 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 797 -8.899 -7.904 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 797 -7.365 -8.202 -4.275 1.00 0.00 H new ATOM 0 HG SER A 797 -7.527 -9.306 -2.236 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.464 -5.376 -2.229 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.175 -4.786 -1.112 1.00 0.00 C ATOM 1288 C ILE A 798 -11.460 -5.566 -0.854 1.00 0.00 C ATOM 1289 O ILE A 798 -11.838 -6.405 -1.660 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.489 -3.298 -1.369 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.784 -2.570 -0.060 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.670 -3.177 -2.312 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.547 -1.079 -0.130 1.00 0.00 C ATOM 0 H ILE A 798 -10.052 -5.609 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.537 -4.839 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.615 -2.834 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.821 -2.752 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.161 -2.992 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -11.887 -2.124 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.432 -3.663 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.542 -3.657 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -10.777 -0.628 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.503 -0.888 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.189 -0.644 -0.896 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.111 -5.314 0.266 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.314 -6.043 0.620 1.00 0.00 C ATOM 1307 C LYS A 799 -14.405 -5.107 1.087 1.00 0.00 C ATOM 1308 O LYS A 799 -14.266 -4.441 2.113 1.00 0.00 O ATOM 1309 CB LYS A 799 -12.999 -7.044 1.712 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.192 -7.742 2.330 1.00 0.00 C ATOM 1311 CD LYS A 799 -13.928 -7.968 3.807 1.00 0.00 C ATOM 1312 CE LYS A 799 -14.735 -9.114 4.363 1.00 0.00 C ATOM 1313 NZ LYS A 799 -14.380 -9.411 5.776 1.00 0.00 N ATOM 0 H LYS A 799 -11.827 -4.609 0.947 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.671 -6.564 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.331 -7.801 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.452 -6.530 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -15.090 -7.139 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.370 -8.694 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -12.867 -8.167 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -14.164 -7.058 4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -15.796 -8.875 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.571 -10.003 3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -14.957 -10.205 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -13.373 -9.664 5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -14.561 -8.572 6.363 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.472 -5.055 0.316 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.689 -4.372 0.720 1.00 0.00 C ATOM 1329 C ASP A 800 -17.204 -4.973 2.013 1.00 0.00 C ATOM 1330 O ASP A 800 -16.988 -6.160 2.282 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.764 -4.515 -0.348 1.00 0.00 C ATOM 1332 CG ASP A 800 -17.729 -3.437 -1.416 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -17.135 -3.674 -2.489 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -18.322 -2.359 -1.196 1.00 0.00 O ATOM 0 H ASP A 800 -15.522 -5.484 -0.608 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.460 -3.316 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.657 -5.488 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -18.742 -4.502 0.133 1.00 0.00 H new ATOM 1339 N SER A 801 -17.924 -4.166 2.778 1.00 0.00 N ATOM 1340 CA SER A 801 -18.363 -4.537 4.117 1.00 0.00 C ATOM 1341 C SER A 801 -19.373 -5.686 4.095 1.00 0.00 C ATOM 1342 O SER A 801 -19.780 -6.183 5.144 1.00 0.00 O ATOM 1343 CB SER A 801 -18.968 -3.317 4.800 1.00 0.00 C ATOM 1344 OG SER A 801 -18.129 -2.187 4.632 1.00 0.00 O ATOM 0 H SER A 801 -18.221 -3.234 2.488 1.00 0.00 H new ATOM 0 HA SER A 801 -17.494 -4.887 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 801 -19.954 -3.111 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 801 -19.107 -3.519 5.862 1.00 0.00 H new ATOM 0 HG SER A 801 -17.200 -2.438 4.819 1.00 0.00 H new ATOM 1350 N THR A 802 -19.767 -6.099 2.900 1.00 0.00 N ATOM 1351 CA THR A 802 -20.650 -7.237 2.724 1.00 0.00 C ATOM 1352 C THR A 802 -19.829 -8.495 2.462 1.00 0.00 C ATOM 1353 O THR A 802 -20.363 -9.562 2.160 1.00 0.00 O ATOM 1354 CB THR A 802 -21.615 -6.997 1.550 1.00 0.00 C ATOM 1355 OG1 THR A 802 -20.875 -6.549 0.405 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.666 -5.961 1.917 1.00 0.00 C ATOM 0 H THR A 802 -19.483 -5.654 2.027 1.00 0.00 H new ATOM 0 HA THR A 802 -21.233 -7.366 3.636 1.00 0.00 H new ATOM 0 HB THR A 802 -22.121 -7.934 1.319 1.00 0.00 H new ATOM 0 HG1 THR A 802 -21.490 -6.398 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.337 -5.808 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.239 -6.312 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.177 -5.020 2.167 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.516 -8.343 2.577 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.601 -9.431 2.321 1.00 0.00 C ATOM 1366 C GLY A 803 -17.457 -9.703 0.846 1.00 0.00 C ATOM 1367 O GLY A 803 -17.414 -10.856 0.414 1.00 0.00 O ATOM 0 H GLY A 803 -18.066 -7.469 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.625 -9.193 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -17.956 -10.331 2.824 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.382 -8.636 0.072 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.226 -8.754 -1.367 1.00 0.00 C ATOM 1373 C CYS A 804 -15.879 -8.186 -1.781 1.00 0.00 C ATOM 1374 O CYS A 804 -15.599 -7.014 -1.552 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.364 -8.030 -2.092 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.293 -8.153 -3.894 1.00 0.00 S ATOM 0 H CYS A 804 -17.427 -7.677 0.416 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.267 -9.807 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.315 -8.437 -1.749 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.347 -6.977 -1.810 1.00 0.00 H new ATOM 0 HG CYS A 804 -19.298 -7.511 -4.413 1.00 0.00 H new ATOM 1382 N VAL A 805 -15.045 -9.011 -2.389 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.700 -8.589 -2.734 1.00 0.00 C ATOM 1384 C VAL A 805 -13.691 -7.861 -4.073 1.00 0.00 C ATOM 1385 O VAL A 805 -14.326 -8.285 -5.042 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.717 -9.789 -2.761 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -13.131 -10.822 -3.801 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -11.290 -9.319 -3.007 1.00 0.00 C ATOM 0 H VAL A 805 -15.273 -9.970 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.362 -7.899 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.755 -10.267 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -12.422 -11.650 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -14.127 -11.196 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -13.141 -10.360 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -10.621 -10.179 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -11.237 -8.802 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -10.989 -8.638 -2.211 1.00 0.00 H new ATOM 1398 N VAL A 806 -13.003 -6.738 -4.095 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.879 -5.921 -5.279 1.00 0.00 C ATOM 1400 C VAL A 806 -11.424 -5.851 -5.712 1.00 0.00 C ATOM 1401 O VAL A 806 -10.522 -5.688 -4.887 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.444 -4.504 -5.028 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -12.988 -3.517 -6.089 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.960 -4.556 -4.985 1.00 0.00 C ATOM 0 H VAL A 806 -12.511 -6.366 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.460 -6.377 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 806 -13.060 -4.157 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.407 -2.534 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.900 -3.456 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.330 -3.852 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.354 -3.555 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.338 -4.932 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.279 -5.219 -4.180 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.213 -6.005 -7.006 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.873 -5.983 -7.556 1.00 0.00 C ATOM 1416 C GLY A 807 -9.309 -4.580 -7.610 1.00 0.00 C ATOM 1417 O GLY A 807 -9.908 -3.691 -8.215 1.00 0.00 O ATOM 0 H GLY A 807 -11.952 -6.146 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.222 -6.613 -6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.885 -6.408 -8.559 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.171 -4.373 -6.968 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.569 -3.058 -6.901 1.00 0.00 C ATOM 1423 C LEU A 808 -6.632 -2.797 -8.068 1.00 0.00 C ATOM 1424 O LEU A 808 -5.742 -3.595 -8.358 1.00 0.00 O ATOM 1425 CB LEU A 808 -6.816 -2.896 -5.591 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.691 -2.967 -4.347 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -6.884 -2.630 -3.110 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -8.885 -2.051 -4.497 1.00 0.00 C ATOM 0 H LEU A 808 -7.647 -5.103 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.376 -2.328 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.052 -3.671 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.297 -1.937 -5.601 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.061 -3.986 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.526 -2.686 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -6.064 -3.340 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -6.481 -1.621 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -9.504 -2.110 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -8.542 -1.026 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -9.471 -2.356 -5.364 1.00 0.00 H new ATOM 1440 N SER A 809 -6.852 -1.682 -8.746 1.00 0.00 N ATOM 1441 CA SER A 809 -5.941 -1.224 -9.775 1.00 0.00 C ATOM 1442 C SER A 809 -5.865 0.300 -9.760 1.00 0.00 C ATOM 1443 O SER A 809 -6.577 0.983 -10.499 1.00 0.00 O ATOM 1444 CB SER A 809 -6.404 -1.723 -11.145 1.00 0.00 C ATOM 1445 OG SER A 809 -6.571 -3.132 -11.138 1.00 0.00 O ATOM 0 H SER A 809 -7.659 -1.076 -8.599 1.00 0.00 H new ATOM 0 HA SER A 809 -4.947 -1.626 -9.577 1.00 0.00 H new ATOM 0 HB2 SER A 809 -7.345 -1.242 -11.413 1.00 0.00 H new ATOM 0 HB3 SER A 809 -5.675 -1.442 -11.905 1.00 0.00 H new ATOM 0 HG SER A 809 -6.869 -3.431 -12.023 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.995 0.819 -8.910 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.759 2.254 -8.802 1.00 0.00 C ATOM 1453 C GLN A 810 -3.282 2.500 -8.471 1.00 0.00 C ATOM 1454 O GLN A 810 -2.572 1.538 -8.191 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.723 2.872 -7.771 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.846 3.666 -8.433 1.00 0.00 C ATOM 1457 CD GLN A 810 -8.046 3.939 -7.538 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -9.172 4.032 -8.027 1.00 0.00 O ATOM 1459 NE2 GLN A 810 -7.829 4.095 -6.240 1.00 0.00 N ATOM 0 H GLN A 810 -4.430 0.258 -8.273 1.00 0.00 H new ATOM 0 HA GLN A 810 -4.965 2.749 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -6.153 2.080 -7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -5.165 3.526 -7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.444 4.618 -8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.184 3.123 -9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -6.883 4.011 -5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -8.608 4.299 -5.614 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.793 3.764 -8.507 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.353 4.077 -8.412 1.00 0.00 C ATOM 1470 C PRO A 811 -0.577 3.281 -7.353 1.00 0.00 C ATOM 1471 O PRO A 811 -1.057 3.034 -6.244 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.350 5.557 -8.046 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.581 6.108 -8.678 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.596 4.993 -8.693 1.00 0.00 C ATOM 0 HA PRO A 811 -0.850 3.818 -9.344 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.364 5.697 -6.965 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.456 6.055 -8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -2.955 6.964 -8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.374 6.457 -9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.330 5.113 -7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.147 4.969 -9.633 1.00 0.00 H new ATOM 1482 N ASP A 812 0.634 2.886 -7.738 1.00 0.00 N ATOM 1483 CA ASP A 812 1.558 2.149 -6.876 1.00 0.00 C ATOM 1484 C ASP A 812 2.644 3.074 -6.360 1.00 0.00 C ATOM 1485 O ASP A 812 2.807 4.193 -6.845 1.00 0.00 O ATOM 1486 CB ASP A 812 2.226 1.004 -7.635 1.00 0.00 C ATOM 1487 CG ASP A 812 3.024 1.482 -8.836 1.00 0.00 C ATOM 1488 OD1 ASP A 812 2.406 1.840 -9.862 1.00 0.00 O ATOM 1489 OD2 ASP A 812 4.272 1.504 -8.764 1.00 0.00 O ATOM 0 H ASP A 812 1.007 3.071 -8.669 1.00 0.00 H new ATOM 0 HA ASP A 812 0.978 1.744 -6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 812 2.886 0.462 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.463 0.301 -7.968 1.00 0.00 H new ATOM 1494 N ALA A 813 3.382 2.601 -5.377 1.00 0.00 N ATOM 1495 CA ALA A 813 4.485 3.366 -4.807 1.00 0.00 C ATOM 1496 C ALA A 813 5.800 2.651 -5.042 1.00 0.00 C ATOM 1497 O ALA A 813 5.836 1.428 -5.114 1.00 0.00 O ATOM 1498 CB ALA A 813 4.291 3.584 -3.318 1.00 0.00 C ATOM 0 H ALA A 813 3.241 1.685 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 813 4.504 4.337 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.129 4.157 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.364 4.132 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.240 2.620 -2.813 1.00 0.00 H new ATOM 1504 N LYS A 814 6.873 3.405 -5.157 1.00 0.00 N ATOM 1505 CA LYS A 814 8.191 2.820 -5.301 1.00 0.00 C ATOM 1506 C LYS A 814 9.124 3.306 -4.215 1.00 0.00 C ATOM 1507 O LYS A 814 9.724 4.375 -4.301 1.00 0.00 O ATOM 1508 CB LYS A 814 8.765 3.102 -6.681 1.00 0.00 C ATOM 1509 CG LYS A 814 8.185 2.198 -7.748 1.00 0.00 C ATOM 1510 CD LYS A 814 8.549 2.666 -9.145 1.00 0.00 C ATOM 1511 CE LYS A 814 7.966 1.754 -10.212 1.00 0.00 C ATOM 1512 NZ LYS A 814 6.491 1.901 -10.330 1.00 0.00 N ATOM 0 H LYS A 814 6.859 4.425 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 814 8.090 1.740 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.571 4.141 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 814 9.847 2.977 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 814 8.549 1.181 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 814 7.100 2.166 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 814 8.184 3.682 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 814 9.634 2.699 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 814 8.430 1.978 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 814 8.209 0.718 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 6.145 1.312 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 6.040 1.598 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 6.255 2.897 -10.515 1.00 0.00 H new ATOM 1526 N ILE A 815 9.229 2.488 -3.199 1.00 0.00 N ATOM 1527 CA ILE A 815 10.066 2.763 -2.050 1.00 0.00 C ATOM 1528 C ILE A 815 11.471 2.247 -2.326 1.00 0.00 C ATOM 1529 O ILE A 815 11.695 1.040 -2.403 1.00 0.00 O ATOM 1530 CB ILE A 815 9.516 2.087 -0.775 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.080 2.545 -0.483 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.417 2.379 0.413 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.007 1.731 -1.185 1.00 0.00 C ATOM 0 H ILE A 815 8.731 1.600 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 815 10.078 3.840 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 815 9.500 1.010 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 815 7.908 2.499 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 815 7.978 3.589 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.014 1.895 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.418 1.996 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.466 3.456 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.024 2.122 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.148 1.796 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.078 0.689 -0.872 1.00 0.00 H new ATOM 1545 N GLN A 816 12.408 3.157 -2.487 1.00 0.00 N ATOM 1546 CA GLN A 816 13.759 2.784 -2.850 1.00 0.00 C ATOM 1547 C GLN A 816 14.656 2.793 -1.620 1.00 0.00 C ATOM 1548 O GLN A 816 15.005 3.847 -1.094 1.00 0.00 O ATOM 1549 CB GLN A 816 14.295 3.737 -3.917 1.00 0.00 C ATOM 1550 CG GLN A 816 15.595 3.279 -4.556 1.00 0.00 C ATOM 1551 CD GLN A 816 16.785 4.096 -4.102 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.103 5.129 -4.692 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.462 3.637 -3.065 1.00 0.00 N ATOM 0 H GLN A 816 12.260 4.160 -2.372 1.00 0.00 H new ATOM 0 HA GLN A 816 13.751 1.774 -3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.541 3.856 -4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.448 4.719 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 816 15.765 2.230 -4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.506 3.345 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.166 2.777 -2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.280 4.143 -2.726 1.00 0.00 H new ATOM 1562 N VAL A 817 15.025 1.608 -1.177 1.00 0.00 N ATOM 1563 CA VAL A 817 15.915 1.444 -0.041 1.00 0.00 C ATOM 1564 C VAL A 817 17.346 1.314 -0.540 1.00 0.00 C ATOM 1565 O VAL A 817 17.584 0.785 -1.625 1.00 0.00 O ATOM 1566 CB VAL A 817 15.529 0.196 0.791 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.444 0.016 1.992 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.088 0.298 1.249 1.00 0.00 C ATOM 0 H VAL A 817 14.717 0.729 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 817 15.826 2.319 0.603 1.00 0.00 H new ATOM 0 HB VAL A 817 15.645 -0.677 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 817 16.141 -0.870 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.472 -0.104 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 817 16.375 0.892 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 817 13.828 -0.585 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 817 13.964 1.189 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.434 0.363 0.380 1.00 0.00 H new ATOM 1578 N ARG A 818 18.291 1.827 0.221 1.00 0.00 N ATOM 1579 CA ARG A 818 19.693 1.734 -0.153 1.00 0.00 C ATOM 1580 C ARG A 818 20.544 1.376 1.050 1.00 0.00 C ATOM 1581 O ARG A 818 20.518 2.057 2.069 1.00 0.00 O ATOM 1582 CB ARG A 818 20.162 3.058 -0.763 1.00 0.00 C ATOM 1583 CG ARG A 818 21.561 3.015 -1.355 1.00 0.00 C ATOM 1584 CD ARG A 818 21.618 2.097 -2.561 1.00 0.00 C ATOM 1585 NE ARG A 818 22.918 2.133 -3.223 1.00 0.00 N ATOM 1586 CZ ARG A 818 23.266 1.325 -4.225 1.00 0.00 C ATOM 1587 NH1 ARG A 818 22.413 0.406 -4.672 1.00 0.00 N ATOM 1588 NH2 ARG A 818 24.462 1.442 -4.783 1.00 0.00 N ATOM 0 H ARG A 818 18.117 2.312 1.101 1.00 0.00 H new ATOM 0 HA ARG A 818 19.803 0.945 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 818 19.460 3.354 -1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.129 3.830 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 818 21.867 4.020 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.268 2.672 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 818 21.400 1.076 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 818 20.843 2.385 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 818 23.602 2.817 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 818 21.490 0.318 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 818 22.683 -0.210 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 818 25.115 2.149 -4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 818 24.730 0.825 -5.550 1.00 0.00 H new