USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 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 688 SER OG : rot -5:sc= 0.272 USER MOD Set 1.2: A 745 THR OG1 : rot 160:sc= 0 USER MOD Single : A 699 LYS NZ :NH3+ 160:sc= -0.0796 (180deg=-0.543) USER MOD Single : A 704 TYR OH : rot 130:sc= -0.573 USER MOD Single : A 709 SER OG : rot 180:sc= -0.148 USER MOD Single : A 711 ASN :FLIP amide:sc= 0.827 F(o=-0.088,f=0.83) USER MOD Single : A 714 SER OG : rot 180:sc= 0 USER MOD Single : A 715 ASN : amide:sc= -2.23 K(o=-2.2,f=-6.8!) USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 723 ASN : amide:sc= -0.737 K(o=-0.74,f=-2.4!) USER MOD Single : A 728 GLN : amide:sc= -1.22 K(o=-1.2,f=-3) USER MOD Single : A 735 MET CE :methyl 150:sc= -4.59! (180deg=-5.02!) USER MOD Single : A 736 LYS NZ :NH3+ -167:sc= -3.03 (180deg=-4.81!) USER MOD Single : A 738 LYS NZ :NH3+ -170:sc= 0.0163 (180deg=-0.163) USER MOD Single : A 741 SER OG : rot 170:sc= -0.04 USER MOD Single : A 742 SER OG : rot 180:sc= 0 USER MOD Single : A 747 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 748 GLN :FLIP amide:sc= -1.29 F(o=-2.4,f=-1.3) USER MOD Single : A 749 THR OG1 : rot -29:sc= 0.196 USER MOD Single : A 751 THR OG1 : rot 65:sc= 0.111 USER MOD Single : A 752 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 756 MET CE :methyl -159:sc= -0.196 (180deg=-1.18) USER MOD Single : A 759 ASN :FLIP amide:sc= -0.0496 F(o=-1.4!,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 685 -8.090 1.175 -10.663 1.00 0.00 N ATOM 2 CA GLY A 685 -6.952 1.659 -9.833 1.00 0.00 C ATOM 3 C GLY A 685 -5.976 2.507 -10.624 1.00 0.00 C ATOM 4 O GLY A 685 -4.941 2.016 -11.072 1.00 0.00 O ATOM 0 HA2 GLY A 685 -7.338 2.241 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 685 -6.425 0.804 -9.410 1.00 0.00 H new ATOM 8 N VAL A 686 -6.306 3.783 -10.800 1.00 0.00 N ATOM 9 CA VAL A 686 -5.445 4.699 -11.539 1.00 0.00 C ATOM 10 C VAL A 686 -4.141 4.930 -10.789 1.00 0.00 C ATOM 11 O VAL A 686 -3.076 5.078 -11.391 1.00 0.00 O ATOM 12 CB VAL A 686 -6.138 6.054 -11.785 1.00 0.00 C ATOM 13 CG1 VAL A 686 -5.245 6.980 -12.595 1.00 0.00 C ATOM 14 CG2 VAL A 686 -7.475 5.851 -12.481 1.00 0.00 C ATOM 0 H VAL A 686 -7.162 4.205 -10.441 1.00 0.00 H new ATOM 0 HA VAL A 686 -5.235 4.237 -12.503 1.00 0.00 H new ATOM 0 HB VAL A 686 -6.322 6.523 -10.818 1.00 0.00 H new ATOM 0 HG11 VAL A 686 -5.756 7.929 -12.756 1.00 0.00 H new ATOM 0 HG12 VAL A 686 -4.316 7.155 -12.053 1.00 0.00 H new ATOM 0 HG13 VAL A 686 -5.022 6.520 -13.558 1.00 0.00 H new ATOM 0 HG21 VAL A 686 -7.950 6.818 -12.646 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -7.315 5.357 -13.439 1.00 0.00 H new ATOM 0 HG23 VAL A 686 -8.120 5.232 -11.857 1.00 0.00 H new ATOM 24 N GLU A 687 -4.241 4.955 -9.471 1.00 0.00 N ATOM 25 CA GLU A 687 -3.079 5.155 -8.613 1.00 0.00 C ATOM 26 C GLU A 687 -2.148 3.953 -8.703 1.00 0.00 C ATOM 27 O GLU A 687 -0.944 4.092 -8.923 1.00 0.00 O ATOM 28 CB GLU A 687 -3.521 5.369 -7.163 1.00 0.00 C ATOM 29 CG GLU A 687 -4.269 6.674 -6.930 1.00 0.00 C ATOM 30 CD GLU A 687 -5.549 6.774 -7.737 1.00 0.00 C ATOM 31 OE1 GLU A 687 -6.596 6.300 -7.250 1.00 0.00 O ATOM 32 OE2 GLU A 687 -5.504 7.331 -8.854 1.00 0.00 O ATOM 0 H GLU A 687 -5.120 4.839 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 687 -2.544 6.042 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 687 -4.159 4.538 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 687 -2.642 5.346 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 687 -4.506 6.767 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 687 -3.618 7.510 -7.186 1.00 0.00 H new ATOM 39 N SER A 688 -2.719 2.769 -8.532 1.00 0.00 N ATOM 40 CA SER A 688 -1.952 1.537 -8.600 1.00 0.00 C ATOM 41 C SER A 688 -1.469 1.288 -10.024 1.00 0.00 C ATOM 42 O SER A 688 -0.478 0.594 -10.237 1.00 0.00 O ATOM 43 CB SER A 688 -2.792 0.356 -8.118 1.00 0.00 C ATOM 44 OG SER A 688 -3.976 0.224 -8.883 1.00 0.00 O ATOM 0 H SER A 688 -3.713 2.637 -8.345 1.00 0.00 H new ATOM 0 HA SER A 688 -1.084 1.638 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A 688 -2.207 -0.561 -8.186 1.00 0.00 H new ATOM 0 HB3 SER A 688 -3.048 0.493 -7.067 1.00 0.00 H new ATOM 0 HG SER A 688 -4.048 0.977 -9.506 1.00 0.00 H new ATOM 50 N ALA A 689 -2.188 1.846 -10.995 1.00 0.00 N ATOM 51 CA ALA A 689 -1.840 1.681 -12.404 1.00 0.00 C ATOM 52 C ALA A 689 -0.390 2.067 -12.675 1.00 0.00 C ATOM 53 O ALA A 689 0.392 1.251 -13.159 1.00 0.00 O ATOM 54 CB ALA A 689 -2.777 2.500 -13.281 1.00 0.00 C ATOM 0 H ALA A 689 -3.017 2.418 -10.831 1.00 0.00 H new ATOM 0 HA ALA A 689 -1.954 0.625 -12.650 1.00 0.00 H new ATOM 0 HB1 ALA A 689 -2.505 2.367 -14.328 1.00 0.00 H new ATOM 0 HB2 ALA A 689 -3.803 2.167 -13.128 1.00 0.00 H new ATOM 0 HB3 ALA A 689 -2.695 3.554 -13.016 1.00 0.00 H new ATOM 60 N VAL A 690 -0.032 3.312 -12.366 1.00 0.00 N ATOM 61 CA VAL A 690 1.334 3.782 -12.578 1.00 0.00 C ATOM 62 C VAL A 690 2.324 2.871 -11.869 1.00 0.00 C ATOM 63 O VAL A 690 3.345 2.474 -12.432 1.00 0.00 O ATOM 64 CB VAL A 690 1.534 5.222 -12.066 1.00 0.00 C ATOM 65 CG1 VAL A 690 0.786 6.217 -12.938 1.00 0.00 C ATOM 66 CG2 VAL A 690 1.097 5.348 -10.615 1.00 0.00 C ATOM 0 H VAL A 690 -0.664 4.008 -11.971 1.00 0.00 H new ATOM 0 HA VAL A 690 1.510 3.767 -13.654 1.00 0.00 H new ATOM 0 HB VAL A 690 2.598 5.452 -12.123 1.00 0.00 H new ATOM 0 HG11 VAL A 690 0.943 7.226 -12.556 1.00 0.00 H new ATOM 0 HG12 VAL A 690 1.157 6.155 -13.961 1.00 0.00 H new ATOM 0 HG13 VAL A 690 -0.279 5.985 -12.923 1.00 0.00 H new ATOM 0 HG21 VAL A 690 1.248 6.373 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 690 0.042 5.089 -10.529 1.00 0.00 H new ATOM 0 HG23 VAL A 690 1.688 4.672 -9.997 1.00 0.00 H new ATOM 76 N LEU A 691 2.005 2.554 -10.624 1.00 0.00 N ATOM 77 CA LEU A 691 2.837 1.689 -9.801 1.00 0.00 C ATOM 78 C LEU A 691 3.056 0.322 -10.449 1.00 0.00 C ATOM 79 O LEU A 691 4.172 -0.200 -10.454 1.00 0.00 O ATOM 80 CB LEU A 691 2.179 1.504 -8.441 1.00 0.00 C ATOM 81 CG LEU A 691 2.185 2.738 -7.538 1.00 0.00 C ATOM 82 CD1 LEU A 691 1.167 2.591 -6.417 1.00 0.00 C ATOM 83 CD2 LEU A 691 3.575 2.969 -6.970 1.00 0.00 C ATOM 0 H LEU A 691 1.163 2.888 -10.156 1.00 0.00 H new ATOM 0 HA LEU A 691 3.811 2.166 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 691 1.146 1.192 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 691 2.683 0.690 -7.920 1.00 0.00 H new ATOM 0 HG LEU A 691 1.906 3.604 -8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 691 1.189 3.480 -5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 691 0.171 2.472 -6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 691 1.411 1.715 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 691 3.564 3.851 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 691 3.879 2.100 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 691 4.281 3.122 -7.786 1.00 0.00 H new ATOM 95 N ARG A 692 1.982 -0.249 -10.984 1.00 0.00 N ATOM 96 CA ARG A 692 2.035 -1.561 -11.625 1.00 0.00 C ATOM 97 C ARG A 692 2.424 -2.654 -10.627 1.00 0.00 C ATOM 98 O ARG A 692 3.205 -3.546 -10.954 1.00 0.00 O ATOM 99 CB ARG A 692 3.025 -1.553 -12.793 1.00 0.00 C ATOM 100 CG ARG A 692 2.735 -0.490 -13.839 1.00 0.00 C ATOM 101 CD ARG A 692 3.612 -0.668 -15.069 1.00 0.00 C ATOM 102 NE ARG A 692 3.498 0.457 -15.993 1.00 0.00 N ATOM 103 CZ ARG A 692 3.877 0.405 -17.268 1.00 0.00 C ATOM 104 NH1 ARG A 692 4.373 -0.718 -17.770 1.00 0.00 N ATOM 105 NH2 ARG A 692 3.754 1.474 -18.044 1.00 0.00 N ATOM 0 H ARG A 692 1.056 0.179 -10.987 1.00 0.00 H new ATOM 0 HA ARG A 692 1.037 -1.779 -12.004 1.00 0.00 H new ATOM 0 HB2 ARG A 692 4.031 -1.400 -12.403 1.00 0.00 H new ATOM 0 HB3 ARG A 692 3.015 -2.532 -13.272 1.00 0.00 H new ATOM 0 HG2 ARG A 692 1.685 -0.539 -14.129 1.00 0.00 H new ATOM 0 HG3 ARG A 692 2.902 0.499 -13.411 1.00 0.00 H new ATOM 0 HD2 ARG A 692 4.651 -0.778 -14.760 1.00 0.00 H new ATOM 0 HD3 ARG A 692 3.333 -1.588 -15.583 1.00 0.00 H new ATOM 0 HE ARG A 692 3.106 1.331 -15.642 1.00 0.00 H new ATOM 0 HH11 ARG A 692 4.465 -1.544 -17.179 1.00 0.00 H new ATOM 0 HH12 ARG A 692 4.663 -0.756 -18.747 1.00 0.00 H new ATOM 0 HH21 ARG A 692 3.368 2.338 -17.664 1.00 0.00 H new ATOM 0 HH22 ARG A 692 4.045 1.431 -19.021 1.00 0.00 H new ATOM 119 N GLY A 693 1.873 -2.589 -9.412 1.00 0.00 N ATOM 120 CA GLY A 693 2.195 -3.597 -8.413 1.00 0.00 C ATOM 121 C GLY A 693 1.627 -3.300 -7.035 1.00 0.00 C ATOM 122 O GLY A 693 2.088 -3.862 -6.041 1.00 0.00 O ATOM 0 H GLY A 693 1.220 -1.868 -9.107 1.00 0.00 H new ATOM 0 HA2 GLY A 693 1.818 -4.563 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 693 3.279 -3.687 -8.337 1.00 0.00 H new ATOM 126 N PHE A 694 0.630 -2.422 -6.964 1.00 0.00 N ATOM 127 CA PHE A 694 0.014 -2.075 -5.686 1.00 0.00 C ATOM 128 C PHE A 694 -1.506 -2.077 -5.782 1.00 0.00 C ATOM 129 O PHE A 694 -2.076 -2.259 -6.858 1.00 0.00 O ATOM 130 CB PHE A 694 0.484 -0.703 -5.208 1.00 0.00 C ATOM 131 CG PHE A 694 1.942 -0.646 -4.864 1.00 0.00 C ATOM 132 CD1 PHE A 694 2.886 -0.487 -5.858 1.00 0.00 C ATOM 133 CD2 PHE A 694 2.367 -0.740 -3.550 1.00 0.00 C ATOM 134 CE1 PHE A 694 4.229 -0.422 -5.555 1.00 0.00 C ATOM 135 CE2 PHE A 694 3.710 -0.679 -3.241 1.00 0.00 C ATOM 136 CZ PHE A 694 4.639 -0.519 -4.244 1.00 0.00 C ATOM 0 H PHE A 694 0.233 -1.940 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 694 0.323 -2.834 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 694 0.275 0.033 -5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 694 -0.097 -0.416 -4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 694 2.568 -0.412 -6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 694 1.641 -0.862 -2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 694 4.957 -0.295 -6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 694 4.032 -0.757 -2.213 1.00 0.00 H new ATOM 0 HZ PHE A 694 5.690 -0.469 -4.003 1.00 0.00 H new ATOM 146 N LEU A 695 -2.152 -1.881 -4.639 1.00 0.00 N ATOM 147 CA LEU A 695 -3.608 -1.837 -4.565 1.00 0.00 C ATOM 148 C LEU A 695 -4.054 -0.520 -3.955 1.00 0.00 C ATOM 149 O LEU A 695 -3.307 0.096 -3.199 1.00 0.00 O ATOM 150 CB LEU A 695 -4.140 -2.982 -3.712 1.00 0.00 C ATOM 151 CG LEU A 695 -4.336 -4.312 -4.430 1.00 0.00 C ATOM 152 CD1 LEU A 695 -4.823 -5.357 -3.445 1.00 0.00 C ATOM 153 CD2 LEU A 695 -5.323 -4.163 -5.576 1.00 0.00 C ATOM 0 H LEU A 695 -1.685 -1.749 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 695 -4.003 -1.932 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 695 -3.454 -3.138 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 695 -5.095 -2.678 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 695 -3.381 -4.632 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 695 -4.962 -6.307 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 695 -4.086 -5.480 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 695 -5.771 -5.036 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 695 -5.449 -5.124 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 695 -6.284 -3.828 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 695 -4.945 -3.430 -6.289 1.00 0.00 H new ATOM 165 N ILE A 696 -5.272 -0.095 -4.256 1.00 0.00 N ATOM 166 CA ILE A 696 -5.757 1.159 -3.708 1.00 0.00 C ATOM 167 C ILE A 696 -6.350 0.960 -2.323 1.00 0.00 C ATOM 168 O ILE A 696 -7.466 0.462 -2.174 1.00 0.00 O ATOM 169 CB ILE A 696 -6.798 1.836 -4.624 1.00 0.00 C ATOM 170 CG1 ILE A 696 -6.118 2.340 -5.902 1.00 0.00 C ATOM 171 CG2 ILE A 696 -7.496 2.978 -3.891 1.00 0.00 C ATOM 172 CD1 ILE A 696 -6.965 3.299 -6.712 1.00 0.00 C ATOM 0 H ILE A 696 -5.928 -0.587 -4.862 1.00 0.00 H new ATOM 0 HA ILE A 696 -4.891 1.818 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 696 -7.556 1.103 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 696 -5.184 2.834 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 696 -5.859 1.484 -6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 696 -8.226 3.443 -4.553 1.00 0.00 H new ATOM 0 HG22 ILE A 696 -8.003 2.588 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 696 -6.758 3.720 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 696 -6.414 3.610 -7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 696 -7.888 2.804 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 696 -7.203 4.174 -6.107 1.00 0.00 H new ATOM 184 N LEU A 697 -5.591 1.360 -1.310 1.00 0.00 N ATOM 185 CA LEU A 697 -6.037 1.247 0.068 1.00 0.00 C ATOM 186 C LEU A 697 -6.910 2.447 0.407 1.00 0.00 C ATOM 187 O LEU A 697 -8.100 2.457 0.099 1.00 0.00 O ATOM 188 CB LEU A 697 -4.827 1.136 1.007 1.00 0.00 C ATOM 189 CG LEU A 697 -5.081 0.489 2.373 1.00 0.00 C ATOM 190 CD1 LEU A 697 -5.833 1.443 3.277 1.00 0.00 C ATOM 191 CD2 LEU A 697 -5.840 -0.822 2.227 1.00 0.00 C ATOM 0 H LEU A 697 -4.662 1.766 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 697 -6.631 0.342 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 697 -4.051 0.565 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 697 -4.430 2.138 1.172 1.00 0.00 H new ATOM 0 HG LEU A 697 -4.115 0.267 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 697 -6.006 0.969 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 697 -5.245 2.350 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 697 -6.790 1.698 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 697 -6.006 -1.258 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 697 -6.800 -0.635 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 697 -5.258 -1.513 1.617 1.00 0.00 H new ATOM 203 N GLY A 698 -6.324 3.465 1.019 1.00 0.00 N ATOM 204 CA GLY A 698 -7.096 4.651 1.346 1.00 0.00 C ATOM 205 C GLY A 698 -6.337 5.659 2.187 1.00 0.00 C ATOM 206 O GLY A 698 -5.145 5.501 2.431 1.00 0.00 O ATOM 0 H GLY A 698 -5.342 3.495 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 698 -7.417 5.131 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 698 -7.998 4.351 1.880 1.00 0.00 H new ATOM 210 N LYS A 699 -7.041 6.701 2.622 1.00 0.00 N ATOM 211 CA LYS A 699 -6.444 7.751 3.447 1.00 0.00 C ATOM 212 C LYS A 699 -6.710 7.486 4.922 1.00 0.00 C ATOM 213 O LYS A 699 -7.499 8.177 5.568 1.00 0.00 O ATOM 214 CB LYS A 699 -6.992 9.120 3.041 1.00 0.00 C ATOM 215 CG LYS A 699 -8.509 9.166 2.951 1.00 0.00 C ATOM 216 CD LYS A 699 -8.997 10.515 2.448 1.00 0.00 C ATOM 217 CE LYS A 699 -10.515 10.601 2.476 1.00 0.00 C ATOM 218 NZ LYS A 699 -11.057 10.365 3.843 1.00 0.00 N ATOM 0 H LYS A 699 -8.030 6.842 2.416 1.00 0.00 H new ATOM 0 HA LYS A 699 -5.366 7.747 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.656 9.865 3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -6.570 9.399 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -8.859 8.379 2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -8.939 8.965 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -8.575 11.309 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -8.641 10.676 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -10.830 11.584 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -10.933 9.867 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -12.020 10.753 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -11.082 9.343 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -10.448 10.834 4.544 1.00 0.00 H new ATOM 232 N GLU A 700 -6.042 6.469 5.441 1.00 0.00 N ATOM 233 CA GLU A 700 -6.189 6.068 6.831 1.00 0.00 C ATOM 234 C GLU A 700 -4.938 5.351 7.298 1.00 0.00 C ATOM 235 O GLU A 700 -3.897 5.440 6.660 1.00 0.00 O ATOM 236 CB GLU A 700 -7.398 5.159 7.012 1.00 0.00 C ATOM 237 CG GLU A 700 -7.367 3.930 6.120 1.00 0.00 C ATOM 238 CD GLU A 700 -8.467 2.942 6.449 1.00 0.00 C ATOM 239 OE1 GLU A 700 -9.606 3.139 5.973 1.00 0.00 O ATOM 240 OE2 GLU A 700 -8.192 1.970 7.183 1.00 0.00 O ATOM 0 H GLU A 700 -5.383 5.898 4.911 1.00 0.00 H new ATOM 0 HA GLU A 700 -6.339 6.966 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 700 -7.452 4.842 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 700 -8.305 5.727 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 700 -7.461 4.239 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 700 -6.400 3.438 6.220 1.00 0.00 H new ATOM 247 N ASP A 701 -5.020 4.703 8.446 1.00 0.00 N ATOM 248 CA ASP A 701 -3.882 3.958 8.961 1.00 0.00 C ATOM 249 C ASP A 701 -2.655 4.858 9.035 1.00 0.00 C ATOM 250 O ASP A 701 -1.565 4.493 8.595 1.00 0.00 O ATOM 251 CB ASP A 701 -3.617 2.743 8.064 1.00 0.00 C ATOM 252 CG ASP A 701 -2.707 1.720 8.719 1.00 0.00 C ATOM 253 OD1 ASP A 701 -1.777 2.127 9.446 1.00 0.00 O ATOM 254 OD2 ASP A 701 -2.933 0.509 8.512 1.00 0.00 O ATOM 0 H ASP A 701 -5.852 4.676 9.035 1.00 0.00 H new ATOM 0 HA ASP A 701 -4.104 3.607 9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 701 -4.566 2.270 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 701 -3.167 3.078 7.129 1.00 0.00 H new ATOM 259 N ARG A 702 -2.854 6.045 9.594 1.00 0.00 N ATOM 260 CA ARG A 702 -1.781 7.017 9.739 1.00 0.00 C ATOM 261 C ARG A 702 -0.702 6.490 10.677 1.00 0.00 C ATOM 262 O ARG A 702 0.357 7.099 10.829 1.00 0.00 O ATOM 263 CB ARG A 702 -2.333 8.346 10.264 1.00 0.00 C ATOM 264 CG ARG A 702 -3.332 9.015 9.327 1.00 0.00 C ATOM 265 CD ARG A 702 -4.708 8.365 9.399 1.00 0.00 C ATOM 266 NE ARG A 702 -5.240 8.357 10.760 1.00 0.00 N ATOM 267 CZ ARG A 702 -6.427 7.854 11.084 1.00 0.00 C ATOM 268 NH1 ARG A 702 -7.204 7.322 10.150 1.00 0.00 N ATOM 269 NH2 ARG A 702 -6.840 7.882 12.345 1.00 0.00 N ATOM 0 H ARG A 702 -3.755 6.358 9.956 1.00 0.00 H new ATOM 0 HA ARG A 702 -1.336 7.184 8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 702 -2.813 8.173 11.227 1.00 0.00 H new ATOM 0 HB3 ARG A 702 -1.502 9.029 10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 702 -3.417 10.071 9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 702 -2.960 8.963 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 702 -5.396 8.900 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 702 -4.645 7.342 9.028 1.00 0.00 H new ATOM 0 HE ARG A 702 -4.669 8.760 11.503 1.00 0.00 H new ATOM 0 HH11 ARG A 702 -6.891 7.298 9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 702 -8.114 6.937 10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 702 -6.246 8.290 13.067 1.00 0.00 H new ATOM 0 HH22 ARG A 702 -7.751 7.496 12.592 1.00 0.00 H new ATOM 283 N ARG A 703 -0.983 5.351 11.306 1.00 0.00 N ATOM 284 CA ARG A 703 -0.040 4.728 12.227 1.00 0.00 C ATOM 285 C ARG A 703 1.286 4.440 11.530 1.00 0.00 C ATOM 286 O ARG A 703 2.333 4.365 12.174 1.00 0.00 O ATOM 287 CB ARG A 703 -0.628 3.432 12.792 1.00 0.00 C ATOM 288 CG ARG A 703 0.285 2.732 13.785 1.00 0.00 C ATOM 289 CD ARG A 703 -0.313 1.419 14.260 1.00 0.00 C ATOM 290 NE ARG A 703 -1.591 1.613 14.940 1.00 0.00 N ATOM 291 CZ ARG A 703 -2.311 0.619 15.453 1.00 0.00 C ATOM 292 NH1 ARG A 703 -1.880 -0.633 15.365 1.00 0.00 N ATOM 293 NH2 ARG A 703 -3.463 0.875 16.056 1.00 0.00 N ATOM 0 H ARG A 703 -1.859 4.841 11.193 1.00 0.00 H new ATOM 0 HA ARG A 703 0.144 5.421 13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 703 -1.577 3.656 13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 703 -0.845 2.752 11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 703 1.254 2.545 13.321 1.00 0.00 H new ATOM 0 HG3 ARG A 703 0.461 3.384 14.641 1.00 0.00 H new ATOM 0 HD2 ARG A 703 -0.454 0.755 13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 703 0.386 0.926 14.936 1.00 0.00 H new ATOM 0 HE ARG A 703 -1.951 2.563 15.026 1.00 0.00 H new ATOM 0 HH11 ARG A 703 -0.994 -0.836 14.903 1.00 0.00 H new ATOM 0 HH12 ARG A 703 -2.435 -1.392 15.760 1.00 0.00 H new ATOM 0 HH21 ARG A 703 -3.799 1.835 16.127 1.00 0.00 H new ATOM 0 HH22 ARG A 703 -4.014 0.112 16.449 1.00 0.00 H new ATOM 307 N TYR A 704 1.234 4.280 10.210 1.00 0.00 N ATOM 308 CA TYR A 704 2.434 4.007 9.430 1.00 0.00 C ATOM 309 C TYR A 704 3.325 5.243 9.371 1.00 0.00 C ATOM 310 O TYR A 704 4.551 5.145 9.441 1.00 0.00 O ATOM 311 CB TYR A 704 2.058 3.575 8.009 1.00 0.00 C ATOM 312 CG TYR A 704 1.551 2.154 7.908 1.00 0.00 C ATOM 313 CD1 TYR A 704 2.301 1.098 8.407 1.00 0.00 C ATOM 314 CD2 TYR A 704 0.333 1.866 7.300 1.00 0.00 C ATOM 315 CE1 TYR A 704 1.853 -0.203 8.311 1.00 0.00 C ATOM 316 CE2 TYR A 704 -0.120 0.567 7.198 1.00 0.00 C ATOM 317 CZ TYR A 704 0.643 -0.465 7.706 1.00 0.00 C ATOM 318 OH TYR A 704 0.195 -1.762 7.607 1.00 0.00 O ATOM 0 H TYR A 704 0.376 4.335 9.661 1.00 0.00 H new ATOM 0 HA TYR A 704 2.981 3.199 9.916 1.00 0.00 H new ATOM 0 HB2 TYR A 704 1.293 4.250 7.626 1.00 0.00 H new ATOM 0 HB3 TYR A 704 2.931 3.684 7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 704 3.252 1.298 8.879 1.00 0.00 H new ATOM 0 HD2 TYR A 704 -0.267 2.671 6.902 1.00 0.00 H new ATOM 0 HE1 TYR A 704 2.448 -1.012 8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 704 -1.067 0.358 6.723 1.00 0.00 H new ATOM 0 HH TYR A 704 -0.728 -1.815 7.933 1.00 0.00 H new ATOM 328 N GLY A 705 2.687 6.406 9.250 1.00 0.00 N ATOM 329 CA GLY A 705 3.407 7.668 9.181 1.00 0.00 C ATOM 330 C GLY A 705 4.633 7.627 8.280 1.00 0.00 C ATOM 331 O GLY A 705 5.712 8.047 8.697 1.00 0.00 O ATOM 0 H GLY A 705 1.672 6.496 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 705 2.730 8.443 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 705 3.716 7.955 10.186 1.00 0.00 H new ATOM 335 N PRO A 706 4.508 7.127 7.034 1.00 0.00 N ATOM 336 CA PRO A 706 5.621 7.059 6.100 1.00 0.00 C ATOM 337 C PRO A 706 5.710 8.300 5.220 1.00 0.00 C ATOM 338 O PRO A 706 6.684 9.048 5.284 1.00 0.00 O ATOM 339 CB PRO A 706 5.284 5.823 5.272 1.00 0.00 C ATOM 340 CG PRO A 706 3.788 5.742 5.274 1.00 0.00 C ATOM 341 CD PRO A 706 3.283 6.574 6.434 1.00 0.00 C ATOM 0 HA PRO A 706 6.589 7.006 6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 706 5.672 5.912 4.257 1.00 0.00 H new ATOM 0 HB3 PRO A 706 5.727 4.926 5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 706 3.384 6.114 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 706 3.461 4.707 5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 706 2.612 7.364 6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 706 2.727 5.967 7.149 1.00 0.00 H new ATOM 349 N ALA A 707 4.686 8.510 4.394 1.00 0.00 N ATOM 350 CA ALA A 707 4.639 9.665 3.510 1.00 0.00 C ATOM 351 C ALA A 707 5.840 9.698 2.570 1.00 0.00 C ATOM 352 O ALA A 707 6.246 10.765 2.104 1.00 0.00 O ATOM 353 CB ALA A 707 4.573 10.939 4.336 1.00 0.00 C ATOM 0 H ALA A 707 3.878 7.892 4.321 1.00 0.00 H new ATOM 0 HA ALA A 707 3.744 9.589 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 707 4.538 11.802 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.678 10.923 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 707 5.456 11.006 4.972 1.00 0.00 H new ATOM 359 N LEU A 708 6.399 8.526 2.285 1.00 0.00 N ATOM 360 CA LEU A 708 7.553 8.428 1.396 1.00 0.00 C ATOM 361 C LEU A 708 7.135 8.575 -0.063 1.00 0.00 C ATOM 362 O LEU A 708 6.011 8.984 -0.358 1.00 0.00 O ATOM 363 CB LEU A 708 8.295 7.102 1.607 1.00 0.00 C ATOM 364 CG LEU A 708 7.410 5.872 1.827 1.00 0.00 C ATOM 365 CD1 LEU A 708 6.416 5.711 0.691 1.00 0.00 C ATOM 366 CD2 LEU A 708 8.266 4.623 1.964 1.00 0.00 C ATOM 0 H LEU A 708 6.073 7.633 2.655 1.00 0.00 H new ATOM 0 HA LEU A 708 8.231 9.246 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 708 8.929 6.920 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 708 8.956 7.210 2.467 1.00 0.00 H new ATOM 0 HG LEU A 708 6.850 6.015 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 708 5.799 4.831 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 708 5.780 6.595 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 708 6.954 5.592 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 708 7.623 3.757 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 708 8.851 4.482 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 708 8.938 4.734 2.815 1.00 0.00 H new ATOM 378 N SER A 709 8.046 8.244 -0.969 1.00 0.00 N ATOM 379 CA SER A 709 7.776 8.343 -2.397 1.00 0.00 C ATOM 380 C SER A 709 7.597 6.963 -3.023 1.00 0.00 C ATOM 381 O SER A 709 7.870 5.942 -2.391 1.00 0.00 O ATOM 382 CB SER A 709 8.916 9.087 -3.091 1.00 0.00 C ATOM 383 OG SER A 709 8.612 9.334 -4.453 1.00 0.00 O ATOM 0 H SER A 709 8.980 7.904 -0.739 1.00 0.00 H new ATOM 0 HA SER A 709 6.847 8.897 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 709 9.102 10.032 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 709 9.832 8.501 -3.021 1.00 0.00 H new ATOM 0 HG SER A 709 9.357 9.813 -4.873 1.00 0.00 H new ATOM 389 N ILE A 710 7.134 6.944 -4.268 1.00 0.00 N ATOM 390 CA ILE A 710 6.913 5.694 -4.990 1.00 0.00 C ATOM 391 C ILE A 710 8.224 4.965 -5.245 1.00 0.00 C ATOM 392 O ILE A 710 8.296 3.741 -5.139 1.00 0.00 O ATOM 393 CB ILE A 710 6.215 5.945 -6.344 1.00 0.00 C ATOM 394 CG1 ILE A 710 4.713 6.147 -6.148 1.00 0.00 C ATOM 395 CG2 ILE A 710 6.475 4.791 -7.303 1.00 0.00 C ATOM 396 CD1 ILE A 710 4.365 7.299 -5.230 1.00 0.00 C ATOM 0 H ILE A 710 6.903 7.783 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 710 6.272 5.077 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 710 6.631 6.855 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 710 4.249 6.316 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 710 4.282 5.231 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 710 5.975 4.986 -8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 710 7.547 4.693 -7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 710 6.089 3.867 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 710 3.282 7.379 -5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 710 4.798 7.123 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 710 4.764 8.226 -5.642 1.00 0.00 H new ATOM 408 N ASN A 711 9.253 5.723 -5.597 1.00 0.00 N ATOM 409 CA ASN A 711 10.561 5.150 -5.878 1.00 0.00 C ATOM 410 C ASN A 711 11.019 4.250 -4.733 1.00 0.00 C ATOM 411 O ASN A 711 11.887 3.395 -4.906 1.00 0.00 O ATOM 412 CB ASN A 711 11.582 6.261 -6.120 1.00 0.00 C ATOM 413 CG ASN A 711 12.967 5.720 -6.417 1.00 0.00 C ATOM 414 OD1 ASN A 711 13.274 5.555 -7.699 1.00 0.00 O flip ATOM 415 ND2 ASN A 711 13.754 5.457 -5.508 1.00 0.00 N flip ATOM 0 H ASN A 711 9.207 6.737 -5.695 1.00 0.00 H new ATOM 0 HA ASN A 711 10.481 4.541 -6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 711 11.250 6.880 -6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 711 11.628 6.906 -5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 711 13.477 5.599 -4.537 1.00 0.00 H new ATOM 0 HD22 ASN A 711 14.683 5.097 -5.726 1.00 0.00 H new ATOM 422 N GLU A 712 10.422 4.455 -3.564 1.00 0.00 N ATOM 423 CA GLU A 712 10.754 3.675 -2.375 1.00 0.00 C ATOM 424 C GLU A 712 9.740 2.553 -2.176 1.00 0.00 C ATOM 425 O GLU A 712 10.045 1.517 -1.593 1.00 0.00 O ATOM 426 CB GLU A 712 10.768 4.578 -1.141 1.00 0.00 C ATOM 427 CG GLU A 712 11.100 6.027 -1.453 1.00 0.00 C ATOM 428 CD GLU A 712 12.513 6.207 -1.975 1.00 0.00 C ATOM 429 OE1 GLU A 712 13.462 6.104 -1.169 1.00 0.00 O ATOM 430 OE2 GLU A 712 12.670 6.453 -3.188 1.00 0.00 O ATOM 0 H GLU A 712 9.700 5.160 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 712 11.743 3.239 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 712 9.792 4.533 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 712 11.496 4.193 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 712 10.394 6.406 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 712 10.971 6.627 -0.552 1.00 0.00 H new ATOM 437 N LEU A 713 8.532 2.789 -2.663 1.00 0.00 N ATOM 438 CA LEU A 713 7.436 1.827 -2.560 1.00 0.00 C ATOM 439 C LEU A 713 7.833 0.426 -3.034 1.00 0.00 C ATOM 440 O LEU A 713 7.289 -0.572 -2.560 1.00 0.00 O ATOM 441 CB LEU A 713 6.250 2.332 -3.388 1.00 0.00 C ATOM 442 CG LEU A 713 4.983 2.672 -2.602 1.00 0.00 C ATOM 443 CD1 LEU A 713 5.313 3.509 -1.383 1.00 0.00 C ATOM 444 CD2 LEU A 713 4.002 3.418 -3.488 1.00 0.00 C ATOM 0 H LEU A 713 8.279 3.653 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 713 7.167 1.744 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 713 6.565 3.221 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 713 6.001 1.574 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 713 4.529 1.739 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 713 4.396 3.738 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 713 5.990 2.955 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 713 5.790 4.437 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 713 3.104 3.655 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.461 4.341 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 713 3.736 2.795 -4.342 1.00 0.00 H new ATOM 456 N SER A 714 8.780 0.356 -3.961 1.00 0.00 N ATOM 457 CA SER A 714 9.217 -0.924 -4.518 1.00 0.00 C ATOM 458 C SER A 714 9.971 -1.793 -3.505 1.00 0.00 C ATOM 459 O SER A 714 10.081 -3.005 -3.692 1.00 0.00 O ATOM 460 CB SER A 714 10.092 -0.683 -5.748 1.00 0.00 C ATOM 461 OG SER A 714 10.633 -1.898 -6.237 1.00 0.00 O ATOM 0 H SER A 714 9.262 1.169 -4.345 1.00 0.00 H new ATOM 0 HA SER A 714 8.317 -1.472 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 714 9.502 -0.204 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 714 10.901 0.002 -5.494 1.00 0.00 H new ATOM 0 HG SER A 714 11.187 -1.716 -7.024 1.00 0.00 H new ATOM 467 N ASN A 715 10.486 -1.187 -2.437 1.00 0.00 N ATOM 468 CA ASN A 715 11.230 -1.944 -1.428 1.00 0.00 C ATOM 469 C ASN A 715 10.336 -2.362 -0.260 1.00 0.00 C ATOM 470 O ASN A 715 10.819 -2.889 0.742 1.00 0.00 O ATOM 471 CB ASN A 715 12.429 -1.133 -0.914 1.00 0.00 C ATOM 472 CG ASN A 715 12.026 0.141 -0.193 1.00 0.00 C ATOM 473 OD1 ASN A 715 10.992 0.197 0.472 1.00 0.00 O ATOM 474 ND2 ASN A 715 12.849 1.176 -0.322 1.00 0.00 N ATOM 0 H ASN A 715 10.405 -0.188 -2.248 1.00 0.00 H new ATOM 0 HA ASN A 715 11.597 -2.851 -1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 715 13.017 -1.755 -0.238 1.00 0.00 H new ATOM 0 HB3 ASN A 715 13.074 -0.878 -1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 715 12.634 2.060 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 715 13.696 1.087 -0.883 1.00 0.00 H new ATOM 481 N LEU A 716 9.034 -2.130 -0.398 1.00 0.00 N ATOM 482 CA LEU A 716 8.076 -2.481 0.649 1.00 0.00 C ATOM 483 C LEU A 716 7.822 -3.983 0.703 1.00 0.00 C ATOM 484 O LEU A 716 7.957 -4.687 -0.298 1.00 0.00 O ATOM 485 CB LEU A 716 6.758 -1.743 0.422 1.00 0.00 C ATOM 486 CG LEU A 716 6.813 -0.243 0.702 1.00 0.00 C ATOM 487 CD1 LEU A 716 5.610 0.461 0.102 1.00 0.00 C ATOM 488 CD2 LEU A 716 6.880 0.008 2.200 1.00 0.00 C ATOM 0 H LEU A 716 8.617 -1.701 -1.224 1.00 0.00 H new ATOM 0 HA LEU A 716 8.507 -2.179 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 716 6.445 -1.895 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 716 5.993 -2.190 1.056 1.00 0.00 H new ATOM 0 HG LEU A 716 7.712 0.162 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 716 5.670 1.529 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 716 5.598 0.305 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 716 4.697 0.056 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 716 6.919 1.081 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 716 5.996 -0.412 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 716 7.773 -0.464 2.608 1.00 0.00 H new ATOM 500 N ALA A 717 7.450 -4.462 1.887 1.00 0.00 N ATOM 501 CA ALA A 717 7.165 -5.876 2.096 1.00 0.00 C ATOM 502 C ALA A 717 5.721 -6.192 1.726 1.00 0.00 C ATOM 503 O ALA A 717 4.816 -5.409 2.008 1.00 0.00 O ATOM 504 CB ALA A 717 7.431 -6.252 3.543 1.00 0.00 C ATOM 0 H ALA A 717 7.339 -3.886 2.721 1.00 0.00 H new ATOM 0 HA ALA A 717 7.821 -6.462 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 717 7.215 -7.310 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 717 8.476 -6.058 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 717 6.793 -5.658 4.197 1.00 0.00 H new ATOM 510 N LYS A 718 5.506 -7.343 1.100 1.00 0.00 N ATOM 511 CA LYS A 718 4.164 -7.744 0.695 1.00 0.00 C ATOM 512 C LYS A 718 3.233 -7.858 1.894 1.00 0.00 C ATOM 513 O LYS A 718 3.676 -8.079 3.022 1.00 0.00 O ATOM 514 CB LYS A 718 4.203 -9.068 -0.062 1.00 0.00 C ATOM 515 CG LYS A 718 3.912 -8.912 -1.542 1.00 0.00 C ATOM 516 CD LYS A 718 5.060 -8.227 -2.270 1.00 0.00 C ATOM 517 CE LYS A 718 4.644 -7.772 -3.659 1.00 0.00 C ATOM 518 NZ LYS A 718 5.780 -7.172 -4.411 1.00 0.00 N ATOM 0 H LYS A 718 6.239 -8.012 0.863 1.00 0.00 H new ATOM 0 HA LYS A 718 3.776 -6.969 0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 718 5.185 -9.523 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 718 3.476 -9.752 0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 718 3.734 -9.892 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 718 2.999 -8.332 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 718 5.399 -7.368 -1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 718 5.904 -8.912 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 718 4.249 -8.622 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 718 3.838 -7.043 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 5.454 -6.875 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 6.141 -6.346 -3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 6.539 -7.876 -4.513 1.00 0.00 H new ATOM 532 N GLY A 719 1.938 -7.704 1.640 1.00 0.00 N ATOM 533 CA GLY A 719 0.956 -7.784 2.703 1.00 0.00 C ATOM 534 C GLY A 719 0.970 -6.550 3.582 1.00 0.00 C ATOM 535 O GLY A 719 0.179 -6.432 4.517 1.00 0.00 O ATOM 0 H GLY A 719 1.551 -7.525 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -0.037 -7.910 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 719 1.153 -8.666 3.313 1.00 0.00 H new ATOM 539 N GLU A 720 1.879 -5.629 3.275 1.00 0.00 N ATOM 540 CA GLU A 720 2.006 -4.390 4.032 1.00 0.00 C ATOM 541 C GLU A 720 1.478 -3.206 3.236 1.00 0.00 C ATOM 542 O GLU A 720 1.155 -3.329 2.052 1.00 0.00 O ATOM 543 CB GLU A 720 3.465 -4.142 4.417 1.00 0.00 C ATOM 544 CG GLU A 720 4.032 -5.184 5.365 1.00 0.00 C ATOM 545 CD GLU A 720 3.196 -5.351 6.619 1.00 0.00 C ATOM 546 OE1 GLU A 720 3.366 -4.544 7.558 1.00 0.00 O ATOM 547 OE2 GLU A 720 2.371 -6.287 6.663 1.00 0.00 O ATOM 0 H GLU A 720 2.540 -5.719 2.504 1.00 0.00 H new ATOM 0 HA GLU A 720 1.410 -4.494 4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 720 4.072 -4.119 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.547 -3.159 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 720 4.099 -6.141 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 720 5.047 -4.901 5.645 1.00 0.00 H new ATOM 554 N LYS A 721 1.377 -2.063 3.902 1.00 0.00 N ATOM 555 CA LYS A 721 0.892 -0.848 3.265 1.00 0.00 C ATOM 556 C LYS A 721 1.892 0.288 3.412 1.00 0.00 C ATOM 557 O LYS A 721 2.931 0.135 4.054 1.00 0.00 O ATOM 558 CB LYS A 721 -0.442 -0.425 3.872 1.00 0.00 C ATOM 559 CG LYS A 721 -1.642 -1.165 3.308 1.00 0.00 C ATOM 560 CD LYS A 721 -2.628 -1.520 4.406 1.00 0.00 C ATOM 561 CE LYS A 721 -2.074 -2.602 5.321 1.00 0.00 C ATOM 562 NZ LYS A 721 -3.051 -2.994 6.374 1.00 0.00 N ATOM 0 H LYS A 721 1.625 -1.953 4.885 1.00 0.00 H new ATOM 0 HA LYS A 721 0.760 -1.063 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 721 -0.405 -0.583 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 721 -0.579 0.644 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 721 -2.135 -0.547 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 721 -1.310 -2.073 2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 721 -2.859 -0.630 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 721 -3.563 -1.861 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 721 -1.809 -3.477 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 721 -1.157 -2.245 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 -2.635 -3.733 6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 -3.285 -2.165 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 -3.916 -3.358 5.926 1.00 0.00 H new ATOM 576 N ALA A 722 1.566 1.432 2.814 1.00 0.00 N ATOM 577 CA ALA A 722 2.439 2.605 2.893 1.00 0.00 C ATOM 578 C ALA A 722 1.769 3.837 2.302 1.00 0.00 C ATOM 579 O ALA A 722 1.344 3.827 1.149 1.00 0.00 O ATOM 580 CB ALA A 722 3.757 2.335 2.185 1.00 0.00 C ATOM 0 H ALA A 722 0.712 1.573 2.274 1.00 0.00 H new ATOM 0 HA ALA A 722 2.636 2.801 3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 722 4.394 3.217 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 722 4.257 1.489 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 722 3.566 2.105 1.137 1.00 0.00 H new ATOM 586 N ASN A 723 1.727 4.911 3.089 1.00 0.00 N ATOM 587 CA ASN A 723 1.097 6.157 2.668 1.00 0.00 C ATOM 588 C ASN A 723 1.931 6.918 1.652 1.00 0.00 C ATOM 589 O ASN A 723 3.093 7.247 1.890 1.00 0.00 O ATOM 590 CB ASN A 723 0.815 7.048 3.879 1.00 0.00 C ATOM 591 CG ASN A 723 -0.277 6.486 4.767 1.00 0.00 C ATOM 592 OD1 ASN A 723 -1.453 6.814 4.605 1.00 0.00 O ATOM 593 ND2 ASN A 723 0.105 5.634 5.711 1.00 0.00 N ATOM 0 H ASN A 723 2.125 4.941 4.028 1.00 0.00 H new ATOM 0 HA ASN A 723 0.159 5.887 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 723 1.729 7.165 4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 723 0.526 8.042 3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 723 -0.587 5.223 6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 723 1.091 5.390 5.810 1.00 0.00 H new ATOM 600 N VAL A 724 1.308 7.189 0.513 1.00 0.00 N ATOM 601 CA VAL A 724 1.934 7.930 -0.563 1.00 0.00 C ATOM 602 C VAL A 724 0.934 8.893 -1.185 1.00 0.00 C ATOM 603 O VAL A 724 -0.230 8.545 -1.390 1.00 0.00 O ATOM 604 CB VAL A 724 2.496 7.006 -1.658 1.00 0.00 C ATOM 605 CG1 VAL A 724 3.812 6.402 -1.211 1.00 0.00 C ATOM 606 CG2 VAL A 724 1.499 5.914 -2.012 1.00 0.00 C ATOM 0 H VAL A 724 0.351 6.898 0.313 1.00 0.00 H new ATOM 0 HA VAL A 724 2.768 8.481 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 724 2.672 7.603 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 724 4.198 5.751 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 724 4.530 7.198 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 724 3.656 5.822 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 724 1.920 5.275 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 724 1.284 5.316 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.577 6.367 -2.376 1.00 0.00 H new ATOM 616 N LEU A 725 1.384 10.106 -1.471 1.00 0.00 N ATOM 617 CA LEU A 725 0.512 11.111 -2.064 1.00 0.00 C ATOM 618 C LEU A 725 0.224 10.785 -3.521 1.00 0.00 C ATOM 619 O LEU A 725 1.074 10.245 -4.230 1.00 0.00 O ATOM 620 CB LEU A 725 1.132 12.504 -1.978 1.00 0.00 C ATOM 621 CG LEU A 725 2.315 12.648 -1.024 1.00 0.00 C ATOM 622 CD1 LEU A 725 3.032 13.964 -1.275 1.00 0.00 C ATOM 623 CD2 LEU A 725 1.849 12.559 0.420 1.00 0.00 C ATOM 0 H LEU A 725 2.341 10.417 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 725 -0.420 11.102 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 725 1.457 12.799 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.357 13.208 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 725 3.013 11.831 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 725 3.874 14.056 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 725 3.396 13.990 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 725 2.341 14.791 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 725 2.706 12.664 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 725 1.133 13.356 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.373 11.593 0.590 1.00 0.00 H new ATOM 635 N ILE A 726 -0.979 11.121 -3.960 1.00 0.00 N ATOM 636 CA ILE A 726 -1.387 10.880 -5.334 1.00 0.00 C ATOM 637 C ILE A 726 -1.914 12.157 -5.969 1.00 0.00 C ATOM 638 O ILE A 726 -2.445 12.147 -7.080 1.00 0.00 O ATOM 639 CB ILE A 726 -2.465 9.793 -5.414 1.00 0.00 C ATOM 640 CG1 ILE A 726 -3.540 10.026 -4.348 1.00 0.00 C ATOM 641 CG2 ILE A 726 -1.832 8.417 -5.259 1.00 0.00 C ATOM 642 CD1 ILE A 726 -4.681 9.033 -4.404 1.00 0.00 C ATOM 0 H ILE A 726 -1.693 11.564 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 726 -0.506 10.540 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 726 -2.945 9.842 -6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 726 -3.077 9.978 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 726 -3.941 11.033 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 726 -2.606 7.652 -5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 726 -1.105 8.259 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 726 -1.331 8.354 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -5.402 9.262 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -5.171 9.096 -5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 726 -4.293 8.025 -4.257 1.00 0.00 H new ATOM 654 N GLY A 727 -1.755 13.256 -5.247 1.00 0.00 N ATOM 655 CA GLY A 727 -2.207 14.547 -5.731 1.00 0.00 C ATOM 656 C GLY A 727 -1.786 15.677 -4.815 1.00 0.00 C ATOM 657 O GLY A 727 -0.791 15.564 -4.098 1.00 0.00 O ATOM 0 H GLY A 727 -1.317 13.278 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 727 -1.805 14.721 -6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 727 -3.293 14.540 -5.822 1.00 0.00 H new ATOM 661 N GLN A 728 -2.541 16.771 -4.836 1.00 0.00 N ATOM 662 CA GLN A 728 -2.236 17.921 -3.994 1.00 0.00 C ATOM 663 C GLN A 728 -3.119 17.928 -2.749 1.00 0.00 C ATOM 664 O GLN A 728 -4.147 18.606 -2.708 1.00 0.00 O ATOM 665 CB GLN A 728 -2.418 19.226 -4.776 1.00 0.00 C ATOM 666 CG GLN A 728 -1.409 19.410 -5.899 1.00 0.00 C ATOM 667 CD GLN A 728 -1.599 18.414 -7.027 1.00 0.00 C ATOM 668 OE1 GLN A 728 -2.716 17.973 -7.300 1.00 0.00 O ATOM 669 NE2 GLN A 728 -0.506 18.053 -7.689 1.00 0.00 N ATOM 0 H GLN A 728 -3.366 16.885 -5.425 1.00 0.00 H new ATOM 0 HA GLN A 728 -1.195 17.844 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 728 -3.424 19.251 -5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 728 -2.339 20.067 -4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 728 -1.494 20.422 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 728 -0.401 19.309 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 728 0.400 18.443 -7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 728 -0.572 17.385 -8.457 1.00 0.00 H new ATOM 678 N GLY A 729 -2.713 17.163 -1.741 1.00 0.00 N ATOM 679 CA GLY A 729 -3.476 17.094 -0.507 1.00 0.00 C ATOM 680 C GLY A 729 -4.263 15.803 -0.377 1.00 0.00 C ATOM 681 O GLY A 729 -5.415 15.815 0.056 1.00 0.00 O ATOM 0 H GLY A 729 -1.870 16.590 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 729 -2.797 17.188 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 729 -4.162 17.939 -0.461 1.00 0.00 H new ATOM 685 N ASP A 730 -3.642 14.688 -0.753 1.00 0.00 N ATOM 686 CA ASP A 730 -4.293 13.384 -0.671 1.00 0.00 C ATOM 687 C ASP A 730 -3.289 12.303 -0.286 1.00 0.00 C ATOM 688 O ASP A 730 -2.598 11.748 -1.141 1.00 0.00 O ATOM 689 CB ASP A 730 -4.957 13.030 -2.003 1.00 0.00 C ATOM 690 CG ASP A 730 -6.052 14.009 -2.382 1.00 0.00 C ATOM 691 OD1 ASP A 730 -5.733 15.044 -3.005 1.00 0.00 O ATOM 692 OD2 ASP A 730 -7.227 13.741 -2.056 1.00 0.00 O ATOM 0 H ASP A 730 -2.690 14.662 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 730 -5.061 13.438 0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -4.202 13.012 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -5.377 12.026 -1.941 1.00 0.00 H new ATOM 697 N VAL A 731 -3.211 12.015 1.010 1.00 0.00 N ATOM 698 CA VAL A 731 -2.293 11.006 1.519 1.00 0.00 C ATOM 699 C VAL A 731 -3.003 9.672 1.719 1.00 0.00 C ATOM 700 O VAL A 731 -3.816 9.522 2.630 1.00 0.00 O ATOM 701 CB VAL A 731 -1.665 11.449 2.853 1.00 0.00 C ATOM 702 CG1 VAL A 731 -0.649 10.426 3.333 1.00 0.00 C ATOM 703 CG2 VAL A 731 -1.023 12.820 2.712 1.00 0.00 C ATOM 0 H VAL A 731 -3.776 12.469 1.728 1.00 0.00 H new ATOM 0 HA VAL A 731 -1.504 10.885 0.776 1.00 0.00 H new ATOM 0 HB VAL A 731 -2.457 11.518 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 731 -0.217 10.758 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 731 -1.141 9.464 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 731 0.141 10.321 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 731 -0.585 13.116 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 731 -0.244 12.780 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 731 -1.780 13.548 2.419 1.00 0.00 H new ATOM 713 N VAL A 732 -2.689 8.708 0.860 1.00 0.00 N ATOM 714 CA VAL A 732 -3.301 7.386 0.943 1.00 0.00 C ATOM 715 C VAL A 732 -2.247 6.288 0.841 1.00 0.00 C ATOM 716 O VAL A 732 -1.305 6.393 0.060 1.00 0.00 O ATOM 717 CB VAL A 732 -4.348 7.184 -0.169 1.00 0.00 C ATOM 718 CG1 VAL A 732 -5.483 8.184 -0.021 1.00 0.00 C ATOM 719 CG2 VAL A 732 -3.704 7.303 -1.542 1.00 0.00 C ATOM 0 H VAL A 732 -2.017 8.816 0.101 1.00 0.00 H new ATOM 0 HA VAL A 732 -3.795 7.323 1.913 1.00 0.00 H new ATOM 0 HB VAL A 732 -4.760 6.180 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 732 -6.213 8.026 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 732 -5.965 8.047 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 732 -5.087 9.197 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 732 -4.461 7.157 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 732 -3.261 8.293 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 732 -2.928 6.545 -1.647 1.00 0.00 H new ATOM 729 N LEU A 733 -2.425 5.226 1.619 1.00 0.00 N ATOM 730 CA LEU A 733 -1.480 4.113 1.616 1.00 0.00 C ATOM 731 C LEU A 733 -1.835 3.108 0.539 1.00 0.00 C ATOM 732 O LEU A 733 -2.966 3.072 0.062 1.00 0.00 O ATOM 733 CB LEU A 733 -1.402 3.413 2.984 1.00 0.00 C ATOM 734 CG LEU A 733 -2.736 3.140 3.678 1.00 0.00 C ATOM 735 CD1 LEU A 733 -2.585 2.043 4.719 1.00 0.00 C ATOM 736 CD2 LEU A 733 -3.262 4.399 4.330 1.00 0.00 C ATOM 0 H LEU A 733 -3.212 5.111 2.258 1.00 0.00 H new ATOM 0 HA LEU A 733 -0.497 4.534 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -0.882 2.464 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -0.789 4.024 3.647 1.00 0.00 H new ATOM 0 HG LEU A 733 -3.449 2.810 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -3.546 1.864 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -2.246 1.127 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -1.855 2.350 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -4.212 4.186 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -2.544 4.753 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -3.409 5.168 3.571 1.00 0.00 H new ATOM 748 N VAL A 734 -0.850 2.321 0.124 1.00 0.00 N ATOM 749 CA VAL A 734 -1.076 1.316 -0.891 1.00 0.00 C ATOM 750 C VAL A 734 -0.967 -0.061 -0.296 1.00 0.00 C ATOM 751 O VAL A 734 -0.501 -0.220 0.829 1.00 0.00 O ATOM 752 CB VAL A 734 -0.098 1.428 -2.068 1.00 0.00 C ATOM 753 CG1 VAL A 734 -0.858 1.853 -3.301 1.00 0.00 C ATOM 754 CG2 VAL A 734 1.032 2.398 -1.758 1.00 0.00 C ATOM 0 H VAL A 734 0.106 2.363 0.476 1.00 0.00 H new ATOM 0 HA VAL A 734 -2.082 1.487 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 734 0.360 0.455 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -0.170 1.935 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -1.624 1.112 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -1.330 2.819 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 734 1.707 2.455 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 734 0.618 3.386 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 734 1.581 2.049 -0.883 1.00 0.00 H new ATOM 764 N MET A 735 -1.406 -1.045 -1.060 1.00 0.00 N ATOM 765 CA MET A 735 -1.369 -2.427 -0.631 1.00 0.00 C ATOM 766 C MET A 735 -0.630 -3.284 -1.646 1.00 0.00 C ATOM 767 O MET A 735 -1.074 -3.442 -2.782 1.00 0.00 O ATOM 768 CB MET A 735 -2.789 -2.937 -0.446 1.00 0.00 C ATOM 769 CG MET A 735 -3.064 -3.442 0.960 1.00 0.00 C ATOM 770 SD MET A 735 -3.042 -5.240 1.082 1.00 0.00 S ATOM 771 CE MET A 735 -1.331 -5.578 0.692 1.00 0.00 C ATOM 0 H MET A 735 -1.797 -0.907 -1.992 1.00 0.00 H new ATOM 0 HA MET A 735 -0.836 -2.489 0.318 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.490 -2.136 -0.681 1.00 0.00 H new ATOM 0 HB3 MET A 735 -2.975 -3.742 -1.157 1.00 0.00 H new ATOM 0 HG2 MET A 735 -2.320 -3.028 1.640 1.00 0.00 H new ATOM 0 HG3 MET A 735 -4.036 -3.073 1.289 1.00 0.00 H new ATOM 0 HE1 MET A 735 -1.012 -6.483 1.209 1.00 0.00 H new ATOM 0 HE2 MET A 735 -1.224 -5.717 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 735 -0.712 -4.740 1.013 1.00 0.00 H new ATOM 781 N LYS A 736 0.498 -3.839 -1.226 1.00 0.00 N ATOM 782 CA LYS A 736 1.305 -4.671 -2.108 1.00 0.00 C ATOM 783 C LYS A 736 0.541 -5.919 -2.553 1.00 0.00 C ATOM 784 O LYS A 736 -0.599 -6.140 -2.148 1.00 0.00 O ATOM 785 CB LYS A 736 2.613 -5.066 -1.420 1.00 0.00 C ATOM 786 CG LYS A 736 2.999 -4.152 -0.269 1.00 0.00 C ATOM 787 CD LYS A 736 3.587 -2.852 -0.770 1.00 0.00 C ATOM 788 CE LYS A 736 3.085 -1.672 0.042 1.00 0.00 C ATOM 789 NZ LYS A 736 1.604 -1.559 -0.005 1.00 0.00 N ATOM 0 H LYS A 736 0.874 -3.729 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 736 1.536 -4.085 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 736 2.523 -6.086 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 736 3.416 -5.065 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.121 -3.944 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 736 3.722 -4.657 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 736 4.675 -2.897 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 736 3.326 -2.712 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 736 3.409 -1.779 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 736 3.532 -0.753 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 1.315 -0.633 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 1.280 -1.652 -0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 1.180 -2.313 0.572 1.00 0.00 H new ATOM 803 N ARG A 737 1.175 -6.729 -3.395 1.00 0.00 N ATOM 804 CA ARG A 737 0.555 -7.951 -3.902 1.00 0.00 C ATOM 805 C ARG A 737 0.260 -8.938 -2.782 1.00 0.00 C ATOM 806 O ARG A 737 0.972 -8.995 -1.782 1.00 0.00 O ATOM 807 CB ARG A 737 1.458 -8.622 -4.940 1.00 0.00 C ATOM 808 CG ARG A 737 1.796 -7.732 -6.125 1.00 0.00 C ATOM 809 CD ARG A 737 2.622 -8.474 -7.164 1.00 0.00 C ATOM 810 NE ARG A 737 3.833 -9.051 -6.589 1.00 0.00 N ATOM 811 CZ ARG A 737 4.833 -9.544 -7.314 1.00 0.00 C ATOM 812 NH1 ARG A 737 4.766 -9.529 -8.639 1.00 0.00 N ATOM 813 NH2 ARG A 737 5.900 -10.054 -6.715 1.00 0.00 N ATOM 0 H ARG A 737 2.120 -6.562 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.388 -7.663 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 737 2.383 -8.934 -4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 737 0.969 -9.526 -5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 737 0.876 -7.369 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 737 2.346 -6.857 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 737 2.019 -9.266 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 737 2.893 -7.790 -7.968 1.00 0.00 H new ATOM 0 HE ARG A 737 3.917 -9.078 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 737 3.946 -9.139 -9.104 1.00 0.00 H new ATOM 0 HH12 ARG A 737 5.534 -9.908 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 737 5.955 -10.069 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 737 6.666 -10.432 -7.273 1.00 0.00 H new ATOM 827 N LYS A 738 -0.807 -9.708 -2.957 1.00 0.00 N ATOM 828 CA LYS A 738 -1.182 -10.717 -1.983 1.00 0.00 C ATOM 829 C LYS A 738 -0.422 -12.003 -2.282 1.00 0.00 C ATOM 830 O LYS A 738 -0.326 -12.899 -1.443 1.00 0.00 O ATOM 831 CB LYS A 738 -2.694 -10.967 -2.023 1.00 0.00 C ATOM 832 CG LYS A 738 -3.161 -12.092 -1.110 1.00 0.00 C ATOM 833 CD LYS A 738 -2.938 -11.757 0.358 1.00 0.00 C ATOM 834 CE LYS A 738 -3.292 -12.932 1.255 1.00 0.00 C ATOM 835 NZ LYS A 738 -4.704 -13.369 1.067 1.00 0.00 N ATOM 0 H LYS A 738 -1.426 -9.650 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 738 -0.926 -10.368 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 738 -3.211 -10.049 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 738 -2.986 -11.199 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 738 -4.220 -12.284 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 738 -2.626 -13.008 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 738 -1.896 -11.479 0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 738 -3.544 -10.893 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 738 -2.623 -13.766 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 738 -3.134 -12.654 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 738 -4.957 -14.053 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 738 -5.334 -12.544 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 738 -4.808 -13.816 0.133 1.00 0.00 H new ATOM 849 N ARG A 739 0.125 -12.070 -3.494 1.00 0.00 N ATOM 850 CA ARG A 739 0.886 -13.231 -3.936 1.00 0.00 C ATOM 851 C ARG A 739 1.612 -12.935 -5.245 1.00 0.00 C ATOM 852 O ARG A 739 2.824 -12.719 -5.259 1.00 0.00 O ATOM 853 CB ARG A 739 -0.042 -14.435 -4.109 1.00 0.00 C ATOM 854 CG ARG A 739 0.677 -15.713 -4.509 1.00 0.00 C ATOM 855 CD ARG A 739 -0.307 -16.800 -4.911 1.00 0.00 C ATOM 856 NE ARG A 739 -1.238 -17.121 -3.834 1.00 0.00 N ATOM 857 CZ ARG A 739 -2.442 -17.651 -4.032 1.00 0.00 C ATOM 858 NH1 ARG A 739 -2.861 -17.917 -5.263 1.00 0.00 N ATOM 859 NH2 ARG A 739 -3.228 -17.916 -2.998 1.00 0.00 N ATOM 0 H ARG A 739 0.053 -11.327 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 739 1.631 -13.464 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 739 -0.576 -14.607 -3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 739 -0.791 -14.199 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 739 1.353 -15.507 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 739 1.289 -16.063 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 739 -0.866 -16.476 -5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 739 0.241 -17.698 -5.196 1.00 0.00 H new ATOM 0 HE ARG A 739 -0.949 -16.928 -2.875 1.00 0.00 H new ATOM 0 HH11 ARG A 739 -2.259 -17.715 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 739 -3.785 -18.323 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 739 -2.910 -17.714 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 739 -4.151 -18.322 -3.150 1.00 0.00 H new ATOM 873 N ASP A 740 0.863 -12.925 -6.344 1.00 0.00 N ATOM 874 CA ASP A 740 1.432 -12.649 -7.659 1.00 0.00 C ATOM 875 C ASP A 740 0.461 -11.835 -8.510 1.00 0.00 C ATOM 876 O ASP A 740 -0.679 -12.243 -8.730 1.00 0.00 O ATOM 877 CB ASP A 740 1.783 -13.955 -8.377 1.00 0.00 C ATOM 878 CG ASP A 740 2.887 -14.725 -7.679 1.00 0.00 C ATOM 879 OD1 ASP A 740 4.052 -14.280 -7.740 1.00 0.00 O ATOM 880 OD2 ASP A 740 2.587 -15.777 -7.076 1.00 0.00 O ATOM 0 H ASP A 740 -0.141 -13.105 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 740 2.343 -12.067 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 740 0.893 -14.581 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 740 2.090 -13.732 -9.399 1.00 0.00 H new ATOM 885 N SER A 741 0.923 -10.682 -8.985 1.00 0.00 N ATOM 886 CA SER A 741 0.099 -9.807 -9.813 1.00 0.00 C ATOM 887 C SER A 741 0.969 -8.960 -10.736 1.00 0.00 C ATOM 888 O SER A 741 1.911 -8.305 -10.290 1.00 0.00 O ATOM 889 CB SER A 741 -0.764 -8.902 -8.933 1.00 0.00 C ATOM 890 OG SER A 741 -1.617 -9.664 -8.097 1.00 0.00 O ATOM 0 H SER A 741 1.865 -10.331 -8.810 1.00 0.00 H new ATOM 0 HA SER A 741 -0.551 -10.431 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 741 -0.123 -8.267 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 741 -1.361 -8.241 -9.561 1.00 0.00 H new ATOM 0 HG SER A 741 -2.038 -9.076 -7.436 1.00 0.00 H new ATOM 896 N SER A 742 0.647 -8.978 -12.024 1.00 0.00 N ATOM 897 CA SER A 742 1.400 -8.215 -13.012 1.00 0.00 C ATOM 898 C SER A 742 1.237 -6.715 -12.789 1.00 0.00 C ATOM 899 O SER A 742 2.189 -5.949 -12.943 1.00 0.00 O ATOM 900 CB SER A 742 0.950 -8.586 -14.427 1.00 0.00 C ATOM 901 OG SER A 742 1.152 -9.965 -14.682 1.00 0.00 O ATOM 0 H SER A 742 -0.131 -9.513 -12.409 1.00 0.00 H new ATOM 0 HA SER A 742 2.455 -8.465 -12.896 1.00 0.00 H new ATOM 0 HB2 SER A 742 -0.105 -8.341 -14.553 1.00 0.00 H new ATOM 0 HB3 SER A 742 1.504 -7.994 -15.155 1.00 0.00 H new ATOM 0 HG SER A 742 0.855 -10.176 -15.592 1.00 0.00 H new ATOM 907 N ILE A 743 0.027 -6.299 -12.427 1.00 0.00 N ATOM 908 CA ILE A 743 -0.256 -4.890 -12.189 1.00 0.00 C ATOM 909 C ILE A 743 -0.950 -4.687 -10.858 1.00 0.00 C ATOM 910 O ILE A 743 -0.848 -3.624 -10.245 1.00 0.00 O ATOM 911 CB ILE A 743 -1.128 -4.306 -13.312 1.00 0.00 C ATOM 912 CG1 ILE A 743 -2.522 -4.944 -13.298 1.00 0.00 C ATOM 913 CG2 ILE A 743 -0.457 -4.526 -14.657 1.00 0.00 C ATOM 914 CD1 ILE A 743 -3.503 -4.288 -14.246 1.00 0.00 C ATOM 0 H ILE A 743 -0.772 -6.918 -12.292 1.00 0.00 H new ATOM 0 HA ILE A 743 0.701 -4.368 -12.171 1.00 0.00 H new ATOM 0 HB ILE A 743 -1.242 -3.235 -13.146 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -2.431 -5.999 -13.556 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -2.923 -4.897 -12.285 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -1.081 -4.109 -15.447 1.00 0.00 H new ATOM 0 HG22 ILE A 743 0.515 -4.032 -14.664 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -0.322 -5.594 -14.826 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -4.466 -4.794 -14.180 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -3.625 -3.239 -13.975 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -3.125 -4.358 -15.266 1.00 0.00 H new ATOM 926 N LEU A 744 -1.663 -5.714 -10.434 1.00 0.00 N ATOM 927 CA LEU A 744 -2.386 -5.694 -9.173 1.00 0.00 C ATOM 928 C LEU A 744 -3.607 -4.777 -9.236 1.00 0.00 C ATOM 929 O LEU A 744 -4.470 -4.827 -8.361 1.00 0.00 O ATOM 930 CB LEU A 744 -1.472 -5.257 -8.021 1.00 0.00 C ATOM 931 CG LEU A 744 -1.467 -6.169 -6.788 1.00 0.00 C ATOM 932 CD1 LEU A 744 -0.887 -5.432 -5.591 1.00 0.00 C ATOM 933 CD2 LEU A 744 -2.867 -6.677 -6.471 1.00 0.00 C ATOM 0 H LEU A 744 -1.758 -6.587 -10.953 1.00 0.00 H new ATOM 0 HA LEU A 744 -2.730 -6.712 -8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 744 -0.452 -5.184 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 744 -1.768 -4.256 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 744 -0.840 -7.033 -7.010 1.00 0.00 H new ATOM 0 HD11 LEU A 744 -0.889 -6.090 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 744 0.136 -5.127 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 744 -1.491 -4.550 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 744 -2.830 -7.321 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 744 -3.525 -5.831 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 744 -3.249 -7.244 -7.320 1.00 0.00 H new ATOM 945 N THR A 745 -3.676 -3.943 -10.269 1.00 0.00 N ATOM 946 CA THR A 745 -4.794 -3.016 -10.428 1.00 0.00 C ATOM 947 C THR A 745 -6.121 -3.764 -10.505 1.00 0.00 C ATOM 948 O THR A 745 -6.198 -4.856 -11.067 1.00 0.00 O ATOM 949 CB THR A 745 -4.630 -2.148 -11.691 1.00 0.00 C ATOM 950 OG1 THR A 745 -3.339 -1.530 -11.695 1.00 0.00 O ATOM 951 CG2 THR A 745 -5.708 -1.076 -11.757 1.00 0.00 C ATOM 0 H THR A 745 -2.974 -3.889 -11.007 1.00 0.00 H new ATOM 0 HA THR A 745 -4.796 -2.369 -9.551 1.00 0.00 H new ATOM 0 HB THR A 745 -4.728 -2.794 -12.563 1.00 0.00 H new ATOM 0 HG1 THR A 745 -3.111 -1.255 -12.607 1.00 0.00 H new ATOM 0 HG21 THR A 745 -5.571 -0.477 -12.657 1.00 0.00 H new ATOM 0 HG22 THR A 745 -6.690 -1.549 -11.782 1.00 0.00 H new ATOM 0 HG23 THR A 745 -5.637 -0.434 -10.879 1.00 0.00 H new ATOM 959 N ASP A 746 -7.163 -3.168 -9.934 1.00 0.00 N ATOM 960 CA ASP A 746 -8.489 -3.777 -9.935 1.00 0.00 C ATOM 961 C ASP A 746 -9.579 -2.724 -10.106 1.00 0.00 C ATOM 962 O ASP A 746 -10.175 -2.604 -11.177 1.00 0.00 O ATOM 963 CB ASP A 746 -8.715 -4.555 -8.637 1.00 0.00 C ATOM 964 CG ASP A 746 -7.913 -5.839 -8.582 1.00 0.00 C ATOM 965 OD1 ASP A 746 -8.348 -6.838 -9.192 1.00 0.00 O ATOM 966 OD2 ASP A 746 -6.850 -5.847 -7.926 1.00 0.00 O ATOM 0 H ASP A 746 -7.115 -2.264 -9.465 1.00 0.00 H new ATOM 0 HA ASP A 746 -8.542 -4.464 -10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -8.446 -3.926 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -9.775 -4.788 -8.537 1.00 0.00 H new ATOM 971 N SER A 747 -9.836 -1.962 -9.047 1.00 0.00 N ATOM 972 CA SER A 747 -10.859 -0.923 -9.084 1.00 0.00 C ATOM 973 C SER A 747 -10.544 0.200 -8.103 1.00 0.00 C ATOM 974 O SER A 747 -10.161 -0.049 -6.960 1.00 0.00 O ATOM 975 CB SER A 747 -12.232 -1.520 -8.767 1.00 0.00 C ATOM 976 OG SER A 747 -12.589 -2.511 -9.715 1.00 0.00 O ATOM 0 H SER A 747 -9.350 -2.045 -8.154 1.00 0.00 H new ATOM 0 HA SER A 747 -10.872 -0.503 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 747 -12.221 -1.956 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 747 -12.983 -0.730 -8.762 1.00 0.00 H new ATOM 0 HG SER A 747 -13.469 -2.878 -9.489 1.00 0.00 H new ATOM 982 N GLN A 748 -10.707 1.438 -8.561 1.00 0.00 N ATOM 983 CA GLN A 748 -10.446 2.604 -7.727 1.00 0.00 C ATOM 984 C GLN A 748 -11.721 3.066 -7.029 1.00 0.00 C ATOM 985 O GLN A 748 -11.740 4.108 -6.373 1.00 0.00 O ATOM 986 CB GLN A 748 -9.860 3.743 -8.566 1.00 0.00 C ATOM 987 CG GLN A 748 -10.579 3.970 -9.889 1.00 0.00 C ATOM 988 CD GLN A 748 -11.975 4.535 -9.713 1.00 0.00 C ATOM 989 OE1 GLN A 748 -12.967 3.654 -9.635 1.00 0.00 O flip ATOM 990 NE2 GLN A 748 -12.163 5.750 -9.657 1.00 0.00 N flip ATOM 0 H GLN A 748 -11.019 1.658 -9.507 1.00 0.00 H new ATOM 0 HA GLN A 748 -9.719 2.321 -6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -9.893 4.664 -7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -8.810 3.530 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -9.991 4.652 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -10.640 3.026 -10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -11.373 6.392 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -13.109 6.115 -9.547 1.00 0.00 H new ATOM 999 N THR A 749 -12.782 2.279 -7.175 1.00 0.00 N ATOM 1000 CA THR A 749 -14.066 2.601 -6.562 1.00 0.00 C ATOM 1001 C THR A 749 -13.967 2.585 -5.041 1.00 0.00 C ATOM 1002 O THR A 749 -14.850 3.089 -4.345 1.00 0.00 O ATOM 1003 CB THR A 749 -15.164 1.617 -7.006 1.00 0.00 C ATOM 1004 OG1 THR A 749 -16.403 1.943 -6.366 1.00 0.00 O ATOM 1005 CG2 THR A 749 -14.778 0.183 -6.673 1.00 0.00 C ATOM 0 H THR A 749 -12.778 1.413 -7.713 1.00 0.00 H new ATOM 0 HA THR A 749 -14.333 3.604 -6.895 1.00 0.00 H new ATOM 0 HB THR A 749 -15.279 1.703 -8.087 1.00 0.00 H new ATOM 0 HG1 THR A 749 -16.223 2.366 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 749 -15.570 -0.492 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 749 -13.851 -0.073 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 749 -14.636 0.085 -5.597 1.00 0.00 H new ATOM 1013 N ALA A 750 -12.886 2.004 -4.531 1.00 0.00 N ATOM 1014 CA ALA A 750 -12.666 1.923 -3.093 1.00 0.00 C ATOM 1015 C ALA A 750 -12.149 3.251 -2.545 1.00 0.00 C ATOM 1016 O ALA A 750 -12.917 4.053 -2.013 1.00 0.00 O ATOM 1017 CB ALA A 750 -11.690 0.799 -2.777 1.00 0.00 C ATOM 0 H ALA A 750 -12.148 1.582 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 750 -13.619 1.708 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 750 -11.532 0.746 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 750 -12.099 -0.148 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 750 -10.739 0.992 -3.274 1.00 0.00 H new ATOM 1023 N THR A 751 -10.841 3.464 -2.674 1.00 0.00 N ATOM 1024 CA THR A 751 -10.194 4.691 -2.207 1.00 0.00 C ATOM 1025 C THR A 751 -10.188 4.793 -0.681 1.00 0.00 C ATOM 1026 O THR A 751 -9.436 5.583 -0.112 1.00 0.00 O ATOM 1027 CB THR A 751 -10.861 5.949 -2.801 1.00 0.00 C ATOM 1028 OG1 THR A 751 -11.010 5.800 -4.218 1.00 0.00 O ATOM 1029 CG2 THR A 751 -10.035 7.192 -2.505 1.00 0.00 C ATOM 0 H THR A 751 -10.201 2.795 -3.103 1.00 0.00 H new ATOM 0 HA THR A 751 -9.162 4.639 -2.555 1.00 0.00 H new ATOM 0 HB THR A 751 -11.842 6.064 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 751 -11.633 5.067 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 751 -10.526 8.066 -2.934 1.00 0.00 H new ATOM 0 HG22 THR A 751 -9.944 7.320 -1.426 1.00 0.00 H new ATOM 0 HG23 THR A 751 -9.043 7.082 -2.942 1.00 0.00 H new ATOM 1037 N LYS A 752 -11.029 4.005 -0.022 1.00 0.00 N ATOM 1038 CA LYS A 752 -11.085 4.003 1.436 1.00 0.00 C ATOM 1039 C LYS A 752 -10.239 2.857 1.975 1.00 0.00 C ATOM 1040 O LYS A 752 -9.493 3.015 2.941 1.00 0.00 O ATOM 1041 CB LYS A 752 -12.531 3.877 1.923 1.00 0.00 C ATOM 1042 CG LYS A 752 -13.275 2.689 1.335 1.00 0.00 C ATOM 1043 CD LYS A 752 -14.727 2.656 1.792 1.00 0.00 C ATOM 1044 CE LYS A 752 -14.841 2.399 3.286 1.00 0.00 C ATOM 1045 NZ LYS A 752 -16.258 2.411 3.745 1.00 0.00 N ATOM 0 H LYS A 752 -11.680 3.361 -0.472 1.00 0.00 H new ATOM 0 HA LYS A 752 -10.688 4.948 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 752 -12.533 3.793 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 752 -13.070 4.791 1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 752 -13.236 2.737 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 752 -12.778 1.765 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 752 -15.207 3.604 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 752 -15.262 1.878 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 752 -14.390 1.435 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 752 -14.277 3.157 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 752 -16.293 2.232 4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 752 -16.681 3.339 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 752 -16.791 1.670 3.246 1.00 0.00 H new ATOM 1059 N ARG A 753 -10.364 1.708 1.320 1.00 0.00 N ATOM 1060 CA ARG A 753 -9.611 0.509 1.669 1.00 0.00 C ATOM 1061 C ARG A 753 -9.775 -0.531 0.568 1.00 0.00 C ATOM 1062 O ARG A 753 -10.881 -0.757 0.078 1.00 0.00 O ATOM 1063 CB ARG A 753 -10.055 -0.060 3.019 1.00 0.00 C ATOM 1064 CG ARG A 753 -9.188 0.400 4.184 1.00 0.00 C ATOM 1065 CD ARG A 753 -9.286 -0.556 5.362 1.00 0.00 C ATOM 1066 NE ARG A 753 -8.843 -1.903 5.011 1.00 0.00 N ATOM 1067 CZ ARG A 753 -8.749 -2.901 5.884 1.00 0.00 C ATOM 1068 NH1 ARG A 753 -9.064 -2.707 7.159 1.00 0.00 N ATOM 1069 NH2 ARG A 753 -8.336 -4.095 5.483 1.00 0.00 N ATOM 0 H ARG A 753 -10.994 1.582 0.528 1.00 0.00 H new ATOM 0 HA ARG A 753 -8.558 0.776 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 753 -11.088 0.233 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 753 -10.037 -1.149 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 753 -8.150 0.474 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 753 -9.496 1.398 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 753 -8.681 -0.179 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 753 -10.317 -0.593 5.714 1.00 0.00 H new ATOM 0 HE ARG A 753 -8.591 -2.088 4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 753 -9.380 -1.789 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 753 -8.990 -3.476 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 753 -8.090 -4.248 4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 753 -8.264 -4.861 6.153 1.00 0.00 H new ATOM 1083 N ILE A 754 -8.664 -1.149 0.181 1.00 0.00 N ATOM 1084 CA ILE A 754 -8.662 -2.150 -0.883 1.00 0.00 C ATOM 1085 C ILE A 754 -9.841 -3.110 -0.785 1.00 0.00 C ATOM 1086 O ILE A 754 -10.370 -3.367 0.296 1.00 0.00 O ATOM 1087 CB ILE A 754 -7.360 -2.966 -0.882 1.00 0.00 C ATOM 1088 CG1 ILE A 754 -7.214 -3.742 0.426 1.00 0.00 C ATOM 1089 CG2 ILE A 754 -6.170 -2.045 -1.096 1.00 0.00 C ATOM 1090 CD1 ILE A 754 -6.213 -4.873 0.347 1.00 0.00 C ATOM 0 H ILE A 754 -7.747 -0.973 0.591 1.00 0.00 H new ATOM 0 HA ILE A 754 -8.747 -1.591 -1.815 1.00 0.00 H new ATOM 0 HB ILE A 754 -7.396 -3.686 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 754 -6.912 -3.054 1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 754 -8.186 -4.146 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 754 -5.251 -2.631 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 754 -6.273 -1.535 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 754 -6.132 -1.308 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 754 -6.160 -5.380 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 754 -6.525 -5.582 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 754 -5.231 -4.473 0.094 1.00 0.00 H new ATOM 1102 N ARG A 755 -10.238 -3.638 -1.936 1.00 0.00 N ATOM 1103 CA ARG A 755 -11.349 -4.576 -2.018 1.00 0.00 C ATOM 1104 C ARG A 755 -10.889 -5.993 -1.683 1.00 0.00 C ATOM 1105 O ARG A 755 -11.662 -6.947 -1.777 1.00 0.00 O ATOM 1106 CB ARG A 755 -11.967 -4.534 -3.420 1.00 0.00 C ATOM 1107 CG ARG A 755 -10.951 -4.334 -4.540 1.00 0.00 C ATOM 1108 CD ARG A 755 -10.025 -5.533 -4.687 1.00 0.00 C ATOM 1109 NE ARG A 755 -10.746 -6.737 -5.090 1.00 0.00 N ATOM 1110 CZ ARG A 755 -10.160 -7.911 -5.306 1.00 0.00 C ATOM 1111 NH1 ARG A 755 -8.849 -8.041 -5.147 1.00 0.00 N ATOM 1112 NH2 ARG A 755 -10.884 -8.956 -5.679 1.00 0.00 N ATOM 0 H ARG A 755 -9.801 -3.429 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 755 -12.104 -4.283 -1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 755 -12.508 -5.464 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 755 -12.699 -3.727 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 755 -11.476 -4.163 -5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 755 -10.359 -3.441 -4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 755 -9.255 -5.308 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 755 -9.516 -5.715 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 755 -11.757 -6.674 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 755 -8.288 -7.239 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 755 -8.402 -8.943 -5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 755 -11.892 -8.861 -5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 755 -10.433 -9.856 -5.844 1.00 0.00 H new ATOM 1126 N MET A 756 -9.624 -6.117 -1.294 1.00 0.00 N ATOM 1127 CA MET A 756 -9.050 -7.412 -0.943 1.00 0.00 C ATOM 1128 C MET A 756 -8.584 -7.411 0.511 1.00 0.00 C ATOM 1129 O MET A 756 -8.692 -6.399 1.203 1.00 0.00 O ATOM 1130 CB MET A 756 -7.881 -7.738 -1.877 1.00 0.00 C ATOM 1131 CG MET A 756 -7.561 -9.222 -1.964 1.00 0.00 C ATOM 1132 SD MET A 756 -6.217 -9.576 -3.114 1.00 0.00 S ATOM 1133 CE MET A 756 -6.150 -11.363 -3.018 1.00 0.00 C ATOM 0 H MET A 756 -8.975 -5.334 -1.214 1.00 0.00 H new ATOM 0 HA MET A 756 -9.816 -8.178 -1.059 1.00 0.00 H new ATOM 0 HB2 MET A 756 -8.111 -7.366 -2.875 1.00 0.00 H new ATOM 0 HB3 MET A 756 -6.995 -7.204 -1.535 1.00 0.00 H new ATOM 0 HG2 MET A 756 -7.293 -9.591 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 756 -8.453 -9.765 -2.276 1.00 0.00 H new ATOM 0 HE1 MET A 756 -5.173 -11.709 -3.355 1.00 0.00 H new ATOM 0 HE2 MET A 756 -6.311 -11.678 -1.987 1.00 0.00 H new ATOM 0 HE3 MET A 756 -6.925 -11.791 -3.653 1.00 0.00 H new ATOM 1143 N ALA A 757 -8.072 -8.547 0.973 1.00 0.00 N ATOM 1144 CA ALA A 757 -7.594 -8.664 2.345 1.00 0.00 C ATOM 1145 C ALA A 757 -6.352 -9.546 2.429 1.00 0.00 C ATOM 1146 O ALA A 757 -6.186 -10.479 1.644 1.00 0.00 O ATOM 1147 CB ALA A 757 -8.693 -9.214 3.240 1.00 0.00 C ATOM 0 H ALA A 757 -7.978 -9.398 0.418 1.00 0.00 H new ATOM 0 HA ALA A 757 -7.319 -7.667 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -8.323 -9.296 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -9.551 -8.542 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -8.994 -10.199 2.883 1.00 0.00 H new ATOM 1153 N ILE A 758 -5.481 -9.238 3.386 1.00 0.00 N ATOM 1154 CA ILE A 758 -4.257 -10.004 3.584 1.00 0.00 C ATOM 1155 C ILE A 758 -4.474 -11.112 4.607 1.00 0.00 C ATOM 1156 O ILE A 758 -5.520 -11.174 5.254 1.00 0.00 O ATOM 1157 CB ILE A 758 -3.099 -9.103 4.059 1.00 0.00 C ATOM 1158 CG1 ILE A 758 -3.525 -8.296 5.289 1.00 0.00 C ATOM 1159 CG2 ILE A 758 -2.651 -8.182 2.935 1.00 0.00 C ATOM 1160 CD1 ILE A 758 -2.407 -7.477 5.900 1.00 0.00 C ATOM 0 H ILE A 758 -5.602 -8.462 4.037 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.993 -10.441 2.621 1.00 0.00 H new ATOM 0 HB ILE A 758 -2.255 -9.733 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -4.341 -7.629 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -3.916 -8.979 6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -1.833 -7.552 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -2.312 -8.779 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -3.486 -7.554 2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -2.785 -6.934 6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -1.599 -8.139 6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -2.031 -6.768 5.163 1.00 0.00 H new ATOM 1172 N ASN A 759 -3.484 -11.986 4.752 1.00 0.00 N ATOM 1173 CA ASN A 759 -3.575 -13.087 5.701 1.00 0.00 C ATOM 1174 C ASN A 759 -2.713 -12.816 6.930 1.00 0.00 C ATOM 1175 O ASN A 759 -3.248 -12.270 7.918 1.00 0.00 O ATOM 1176 CB ASN A 759 -3.147 -14.400 5.042 1.00 0.00 C ATOM 1177 CG ASN A 759 -3.446 -15.608 5.910 1.00 0.00 C ATOM 1178 OD1 ASN A 759 -4.521 -15.530 6.687 1.00 0.00 O flip ATOM 1179 ND2 ASN A 759 -2.718 -16.601 5.883 1.00 0.00 N flip ATOM 1180 OXT ASN A 759 -1.511 -13.152 6.897 1.00 0.00 O ATOM 0 H ASN A 759 -2.611 -11.953 4.225 1.00 0.00 H new ATOM 0 HA ASN A 759 -4.614 -13.174 6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 759 -3.659 -14.507 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 759 -2.079 -14.365 4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 759 -1.902 -16.619 5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 759 -2.931 -17.406 6.472 1.00 0.00 H new TER 1187 ASN A 759