USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 355 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.29 K(o=-1.3,f=-3!) USER MOD Single : A 14 MET CE :methyl -108:sc= -0.682 (180deg=-1.91!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.632 K(o=-0.63,f=-4.5!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-0.11) USER MOD Single : A 25 SER OG : rot 106:sc= 1.2 USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0.0101 (180deg=0.00549) USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.256 USER MOD Single : A 28 MET CE :methyl -174:sc= -6.52! (180deg=-6.77!) USER MOD Single : A 29 ASN : amide:sc= -0.294 K(o=-0.29,f=-3.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 65:sc= 0.065 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= -1.68 (180deg=-1.83) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.642 K(o=-0.64,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.103 51.611 16.042 1.00 0.00 N ATOM 2 CA GLY A 1 -30.747 51.641 17.385 1.00 0.00 C ATOM 3 C GLY A 1 -29.928 52.529 18.324 1.00 0.00 C ATOM 4 O GLY A 1 -29.626 52.151 19.441 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.660 51.007 15.404 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.060 52.576 15.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.140 51.229 16.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.765 52.022 17.303 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.816 50.631 17.790 1.00 0.00 H new ATOM 10 N ARG A 2 -29.569 53.705 17.877 1.00 0.00 N ATOM 11 CA ARG A 2 -28.769 54.626 18.737 1.00 0.00 C ATOM 12 C ARG A 2 -29.711 55.551 19.510 1.00 0.00 C ATOM 13 O ARG A 2 -30.563 56.203 18.936 1.00 0.00 O ATOM 14 CB ARG A 2 -27.839 55.465 17.857 1.00 0.00 C ATOM 15 CG ARG A 2 -26.495 54.751 17.707 1.00 0.00 C ATOM 16 CD ARG A 2 -25.557 55.603 16.851 1.00 0.00 C ATOM 17 NE ARG A 2 -26.119 55.730 15.471 1.00 0.00 N ATOM 18 CZ ARG A 2 -25.664 56.631 14.623 1.00 0.00 C ATOM 19 NH1 ARG A 2 -24.698 57.459 14.952 1.00 0.00 N ATOM 20 NH2 ARG A 2 -26.185 56.703 13.429 1.00 0.00 N ATOM 0 H ARG A 2 -29.796 54.067 16.951 1.00 0.00 H new ATOM 0 HA ARG A 2 -28.176 54.042 19.441 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -28.291 55.621 16.877 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -27.692 56.450 18.301 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -26.052 54.577 18.688 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -26.640 53.774 17.245 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -25.435 56.590 17.298 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -24.568 55.147 16.812 1.00 0.00 H new ATOM 0 HE ARG A 2 -26.871 55.106 15.179 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -24.282 57.414 15.882 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -24.364 58.147 14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -26.936 56.067 13.161 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -25.842 57.396 12.764 1.00 0.00 H new ATOM 34 N LYS A 3 -29.561 55.611 20.809 1.00 0.00 N ATOM 35 CA LYS A 3 -30.443 56.492 21.630 1.00 0.00 C ATOM 36 C LYS A 3 -29.584 57.510 22.385 1.00 0.00 C ATOM 37 O LYS A 3 -29.298 57.346 23.557 1.00 0.00 O ATOM 38 CB LYS A 3 -31.228 55.638 22.629 1.00 0.00 C ATOM 39 CG LYS A 3 -32.591 55.278 22.034 1.00 0.00 C ATOM 40 CD LYS A 3 -33.259 54.206 22.899 1.00 0.00 C ATOM 41 CE LYS A 3 -34.519 53.697 22.198 1.00 0.00 C ATOM 42 NZ LYS A 3 -34.718 52.255 22.519 1.00 0.00 N ATOM 0 H LYS A 3 -28.864 55.086 21.337 1.00 0.00 H new ATOM 0 HA LYS A 3 -31.141 57.020 20.980 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -30.671 54.731 22.864 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -31.360 56.183 23.564 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -33.223 56.165 21.983 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -32.470 54.914 21.014 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -32.568 53.381 23.072 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -33.514 54.618 23.875 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -35.385 54.275 22.519 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -34.428 53.831 21.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -35.575 51.908 22.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -33.895 51.710 22.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -34.823 52.140 23.547 1.00 0.00 H new ATOM 56 N ARG A 4 -29.174 58.559 21.720 1.00 0.00 N ATOM 57 CA ARG A 4 -28.334 59.596 22.389 1.00 0.00 C ATOM 58 C ARG A 4 -29.211 60.440 23.315 1.00 0.00 C ATOM 59 O ARG A 4 -29.794 61.425 22.902 1.00 0.00 O ATOM 60 CB ARG A 4 -27.696 60.496 21.328 1.00 0.00 C ATOM 61 CG ARG A 4 -26.532 61.274 21.949 1.00 0.00 C ATOM 62 CD ARG A 4 -25.318 60.352 22.111 1.00 0.00 C ATOM 63 NE ARG A 4 -24.068 61.073 21.687 1.00 0.00 N ATOM 64 CZ ARG A 4 -23.952 61.649 20.508 1.00 0.00 C ATOM 65 NH1 ARG A 4 -24.844 61.463 19.563 1.00 0.00 N ATOM 66 NH2 ARG A 4 -22.896 62.372 20.253 1.00 0.00 N ATOM 0 H ARG A 4 -29.386 58.742 20.739 1.00 0.00 H new ATOM 0 HA ARG A 4 -27.551 59.111 22.972 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -27.340 59.894 20.492 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -28.438 61.188 20.929 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -26.273 62.124 21.318 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -26.827 61.675 22.918 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -25.229 60.032 23.149 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -25.451 59.452 21.510 1.00 0.00 H new ATOM 0 HE ARG A 4 -23.282 61.118 22.336 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -25.650 60.861 19.733 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -24.731 61.920 18.658 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -22.172 62.486 20.963 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -22.794 62.823 19.344 1.00 0.00 H new ATOM 80 N LYS A 5 -29.309 60.059 24.563 1.00 0.00 N ATOM 81 CA LYS A 5 -30.149 60.832 25.525 1.00 0.00 C ATOM 82 C LYS A 5 -29.247 61.674 26.431 1.00 0.00 C ATOM 83 O LYS A 5 -28.084 61.372 26.617 1.00 0.00 O ATOM 84 CB LYS A 5 -30.969 59.862 26.379 1.00 0.00 C ATOM 85 CG LYS A 5 -32.322 60.494 26.723 1.00 0.00 C ATOM 86 CD LYS A 5 -33.396 59.975 25.761 1.00 0.00 C ATOM 87 CE LYS A 5 -33.636 61.001 24.651 1.00 0.00 C ATOM 88 NZ LYS A 5 -33.937 60.293 23.375 1.00 0.00 N ATOM 0 H LYS A 5 -28.842 59.243 24.958 1.00 0.00 H new ATOM 0 HA LYS A 5 -30.822 61.489 24.973 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -31.120 58.927 25.840 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -30.427 59.620 27.293 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -32.595 60.255 27.751 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -32.254 61.580 26.656 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -33.082 59.025 25.329 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -34.323 59.788 26.303 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -34.465 61.656 24.920 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -32.756 61.633 24.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -34.100 60.991 22.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -33.133 59.686 23.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -34.788 59.708 23.495 1.00 0.00 H new ATOM 102 N ILE A 6 -29.780 62.730 26.994 1.00 0.00 N ATOM 103 CA ILE A 6 -28.965 63.609 27.894 1.00 0.00 C ATOM 104 C ILE A 6 -27.777 64.171 27.106 1.00 0.00 C ATOM 105 O ILE A 6 -27.565 63.820 25.960 1.00 0.00 O ATOM 106 CB ILE A 6 -28.446 62.818 29.100 1.00 0.00 C ATOM 107 CG1 ILE A 6 -29.524 61.856 29.609 1.00 0.00 C ATOM 108 CG2 ILE A 6 -28.083 63.795 30.227 1.00 0.00 C ATOM 109 CD1 ILE A 6 -28.931 60.991 30.714 1.00 0.00 C ATOM 0 H ILE A 6 -30.749 63.024 26.869 1.00 0.00 H new ATOM 0 HA ILE A 6 -29.595 64.422 28.256 1.00 0.00 H new ATOM 0 HB ILE A 6 -27.569 62.247 28.796 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -30.380 62.415 29.986 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -29.886 61.230 28.794 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -27.713 63.237 31.087 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -27.310 64.480 29.879 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -28.968 64.362 30.516 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -29.690 60.302 31.084 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -28.088 60.424 30.319 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -28.590 61.627 31.531 1.00 0.00 H new ATOM 121 N ASP A 7 -27.007 65.043 27.706 1.00 0.00 N ATOM 122 CA ASP A 7 -25.841 65.634 26.993 1.00 0.00 C ATOM 123 C ASP A 7 -24.568 65.413 27.817 1.00 0.00 C ATOM 124 O ASP A 7 -23.780 66.318 28.015 1.00 0.00 O ATOM 125 CB ASP A 7 -26.089 67.131 26.809 1.00 0.00 C ATOM 126 CG ASP A 7 -25.618 67.567 25.420 1.00 0.00 C ATOM 127 OD1 ASP A 7 -24.457 67.919 25.295 1.00 0.00 O ATOM 128 OD2 ASP A 7 -26.425 67.541 24.506 1.00 0.00 O ATOM 0 H ASP A 7 -27.139 65.370 28.663 1.00 0.00 H new ATOM 0 HA ASP A 7 -25.717 65.158 26.020 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -27.150 67.351 26.929 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -25.558 67.694 27.577 1.00 0.00 H new ATOM 133 N ARG A 8 -24.368 64.215 28.297 1.00 0.00 N ATOM 134 CA ARG A 8 -23.158 63.919 29.108 1.00 0.00 C ATOM 135 C ARG A 8 -21.917 63.934 28.208 1.00 0.00 C ATOM 136 O ARG A 8 -21.158 64.887 28.195 1.00 0.00 O ATOM 137 CB ARG A 8 -23.305 62.543 29.765 1.00 0.00 C ATOM 138 CG ARG A 8 -24.233 62.650 30.977 1.00 0.00 C ATOM 139 CD ARG A 8 -23.400 62.849 32.245 1.00 0.00 C ATOM 140 NE ARG A 8 -24.307 62.939 33.430 1.00 0.00 N ATOM 141 CZ ARG A 8 -23.845 62.825 34.660 1.00 0.00 C ATOM 142 NH1 ARG A 8 -22.569 62.626 34.900 1.00 0.00 N ATOM 143 NH2 ARG A 8 -24.676 62.911 35.663 1.00 0.00 N ATOM 0 H ARG A 8 -24.998 63.424 28.159 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.047 64.678 29.883 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.708 61.828 29.048 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.328 62.170 30.074 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.922 63.485 30.848 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.838 61.748 31.065 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -22.704 62.020 32.369 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -22.803 63.757 32.161 1.00 0.00 H new ATOM 0 HE ARG A 8 -25.305 63.092 33.284 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.909 62.556 34.125 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.238 62.541 35.861 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -25.669 63.065 35.490 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -24.332 62.825 36.619 1.00 0.00 H new ATOM 157 N ASP A 9 -21.709 62.883 27.454 1.00 0.00 N ATOM 158 CA ASP A 9 -20.523 62.823 26.551 1.00 0.00 C ATOM 159 C ASP A 9 -20.618 63.927 25.493 1.00 0.00 C ATOM 160 O ASP A 9 -19.620 64.358 24.951 1.00 0.00 O ATOM 161 CB ASP A 9 -20.480 61.459 25.858 1.00 0.00 C ATOM 162 CG ASP A 9 -20.032 60.391 26.857 1.00 0.00 C ATOM 163 OD1 ASP A 9 -20.487 60.437 27.988 1.00 0.00 O ATOM 164 OD2 ASP A 9 -19.240 59.545 26.475 1.00 0.00 O ATOM 0 H ASP A 9 -22.313 62.062 27.426 1.00 0.00 H new ATOM 0 HA ASP A 9 -19.617 62.966 27.139 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -21.464 61.210 25.461 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -19.794 61.491 25.012 1.00 0.00 H new ATOM 169 N ALA A 10 -21.810 64.382 25.192 1.00 0.00 N ATOM 170 CA ALA A 10 -21.972 65.453 24.165 1.00 0.00 C ATOM 171 C ALA A 10 -21.258 66.727 24.626 1.00 0.00 C ATOM 172 O ALA A 10 -20.556 67.364 23.860 1.00 0.00 O ATOM 173 CB ALA A 10 -23.460 65.743 23.964 1.00 0.00 C ATOM 0 H ALA A 10 -22.679 64.056 25.616 1.00 0.00 H new ATOM 0 HA ALA A 10 -21.535 65.119 23.224 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.580 66.525 23.214 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -23.965 64.837 23.628 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -23.897 66.074 24.906 1.00 0.00 H new ATOM 179 N VAL A 11 -21.426 67.104 25.871 1.00 0.00 N ATOM 180 CA VAL A 11 -20.754 68.336 26.382 1.00 0.00 C ATOM 181 C VAL A 11 -19.241 68.144 26.308 1.00 0.00 C ATOM 182 O VAL A 11 -18.530 68.981 25.797 1.00 0.00 O ATOM 183 CB VAL A 11 -21.171 68.590 27.842 1.00 0.00 C ATOM 184 CG1 VAL A 11 -20.441 69.826 28.402 1.00 0.00 C ATOM 185 CG2 VAL A 11 -22.682 68.824 27.900 1.00 0.00 C ATOM 0 H VAL A 11 -22.000 66.610 26.554 1.00 0.00 H new ATOM 0 HA VAL A 11 -21.048 69.192 25.774 1.00 0.00 H new ATOM 0 HB VAL A 11 -20.904 67.721 28.444 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -20.747 69.992 29.435 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.364 69.661 28.364 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.695 70.701 27.803 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -22.983 69.004 28.932 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -22.940 69.690 27.290 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -23.201 67.945 27.519 1.00 0.00 H new ATOM 195 N LEU A 12 -18.754 67.046 26.825 1.00 0.00 N ATOM 196 CA LEU A 12 -17.283 66.782 26.815 1.00 0.00 C ATOM 197 C LEU A 12 -16.734 66.835 25.387 1.00 0.00 C ATOM 198 O LEU A 12 -15.587 67.168 25.172 1.00 0.00 O ATOM 199 CB LEU A 12 -17.018 65.396 27.406 1.00 0.00 C ATOM 200 CG LEU A 12 -15.570 65.314 27.893 1.00 0.00 C ATOM 201 CD1 LEU A 12 -15.498 64.421 29.133 1.00 0.00 C ATOM 202 CD2 LEU A 12 -14.694 64.721 26.787 1.00 0.00 C ATOM 0 H LEU A 12 -19.317 66.314 27.258 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.785 67.547 27.410 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.702 65.205 28.233 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.204 64.628 26.655 1.00 0.00 H new ATOM 0 HG LEU A 12 -15.214 66.313 28.144 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.466 64.363 29.480 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.123 64.842 29.921 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.854 63.422 28.883 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.662 64.662 27.133 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.051 63.722 26.537 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.745 65.356 25.903 1.00 0.00 H new ATOM 214 N ASN A 13 -17.541 66.503 24.415 1.00 0.00 N ATOM 215 CA ASN A 13 -17.062 66.524 22.998 1.00 0.00 C ATOM 216 C ASN A 13 -16.851 67.969 22.535 1.00 0.00 C ATOM 217 O ASN A 13 -15.972 68.254 21.743 1.00 0.00 O ATOM 218 CB ASN A 13 -18.100 65.850 22.099 1.00 0.00 C ATOM 219 CG ASN A 13 -18.103 64.342 22.358 1.00 0.00 C ATOM 220 OD1 ASN A 13 -19.142 63.755 22.584 1.00 0.00 O ATOM 221 ND2 ASN A 13 -16.975 63.685 22.331 1.00 0.00 N ATOM 0 H ASN A 13 -18.512 66.218 24.539 1.00 0.00 H new ATOM 0 HA ASN A 13 -16.116 65.987 22.935 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.089 66.265 22.295 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.872 66.049 21.052 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.967 62.679 22.500 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.102 64.178 22.141 1.00 0.00 H new ATOM 228 N MET A 14 -17.660 68.875 23.013 1.00 0.00 N ATOM 229 CA MET A 14 -17.547 70.292 22.612 1.00 0.00 C ATOM 230 C MET A 14 -16.211 70.874 23.106 1.00 0.00 C ATOM 231 O MET A 14 -15.495 71.503 22.353 1.00 0.00 O ATOM 232 CB MET A 14 -18.738 71.033 23.221 1.00 0.00 C ATOM 233 CG MET A 14 -20.034 70.339 22.771 1.00 0.00 C ATOM 234 SD MET A 14 -20.380 70.758 21.045 1.00 0.00 S ATOM 235 CE MET A 14 -19.698 69.254 20.305 1.00 0.00 C ATOM 0 H MET A 14 -18.408 68.681 23.679 1.00 0.00 H new ATOM 0 HA MET A 14 -17.561 70.398 21.527 1.00 0.00 H new ATOM 0 HB2 MET A 14 -18.667 71.032 24.309 1.00 0.00 H new ATOM 0 HB3 MET A 14 -18.737 72.075 22.902 1.00 0.00 H new ATOM 0 HG2 MET A 14 -19.937 69.259 22.881 1.00 0.00 H new ATOM 0 HG3 MET A 14 -20.864 70.651 23.405 1.00 0.00 H new ATOM 0 HE1 MET A 14 -18.763 69.490 19.797 1.00 0.00 H new ATOM 0 HE2 MET A 14 -19.510 68.517 21.086 1.00 0.00 H new ATOM 0 HE3 MET A 14 -20.409 68.848 19.586 1.00 0.00 H new ATOM 245 N TRP A 15 -15.864 70.664 24.355 1.00 0.00 N ATOM 246 CA TRP A 15 -14.572 71.207 24.884 1.00 0.00 C ATOM 247 C TRP A 15 -13.392 70.590 24.130 1.00 0.00 C ATOM 248 O TRP A 15 -12.365 71.214 23.951 1.00 0.00 O ATOM 249 CB TRP A 15 -14.431 70.838 26.358 1.00 0.00 C ATOM 250 CG TRP A 15 -15.576 71.372 27.133 1.00 0.00 C ATOM 251 CD1 TRP A 15 -16.729 70.721 27.334 1.00 0.00 C ATOM 252 CD2 TRP A 15 -15.691 72.631 27.837 1.00 0.00 C ATOM 253 NE1 TRP A 15 -17.566 71.518 28.083 1.00 0.00 N ATOM 254 CE2 TRP A 15 -16.969 72.707 28.412 1.00 0.00 C ATOM 255 CE3 TRP A 15 -14.827 73.709 28.017 1.00 0.00 C ATOM 256 CZ2 TRP A 15 -17.370 73.816 29.132 1.00 0.00 C ATOM 257 CZ3 TRP A 15 -15.225 74.821 28.752 1.00 0.00 C ATOM 258 CH2 TRP A 15 -16.497 74.876 29.309 1.00 0.00 C ATOM 0 H TRP A 15 -16.420 70.140 25.030 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.573 72.289 24.755 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -14.384 69.754 26.466 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -13.497 71.239 26.753 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.964 69.732 26.968 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -18.512 71.256 28.359 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -13.839 73.681 27.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -18.363 73.856 29.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -14.542 75.646 28.890 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.803 75.742 29.877 1.00 0.00 H new ATOM 269 N GLN A 16 -13.526 69.358 23.720 1.00 0.00 N ATOM 270 CA GLN A 16 -12.416 68.666 23.007 1.00 0.00 C ATOM 271 C GLN A 16 -12.105 69.365 21.678 1.00 0.00 C ATOM 272 O GLN A 16 -11.019 69.233 21.145 1.00 0.00 O ATOM 273 CB GLN A 16 -12.838 67.222 22.754 1.00 0.00 C ATOM 274 CG GLN A 16 -13.150 66.547 24.095 1.00 0.00 C ATOM 275 CD GLN A 16 -11.930 65.751 24.564 1.00 0.00 C ATOM 276 OE1 GLN A 16 -11.618 64.714 24.013 1.00 0.00 O ATOM 277 NE2 GLN A 16 -11.222 66.196 25.566 1.00 0.00 N ATOM 0 H GLN A 16 -14.367 68.796 23.851 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.513 68.695 23.617 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.714 67.195 22.107 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.043 66.683 22.238 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.415 67.298 24.839 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.010 65.886 23.990 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.484 67.067 26.029 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.407 65.673 25.886 1.00 0.00 H new ATOM 286 N GLN A 17 -13.042 70.105 21.141 1.00 0.00 N ATOM 287 CA GLN A 17 -12.797 70.812 19.848 1.00 0.00 C ATOM 288 C GLN A 17 -12.278 72.235 20.107 1.00 0.00 C ATOM 289 O GLN A 17 -12.395 73.103 19.262 1.00 0.00 O ATOM 290 CB GLN A 17 -14.107 70.885 19.063 1.00 0.00 C ATOM 291 CG GLN A 17 -14.598 69.469 18.757 1.00 0.00 C ATOM 292 CD GLN A 17 -13.871 68.932 17.523 1.00 0.00 C ATOM 293 OE1 GLN A 17 -12.670 69.070 17.402 1.00 0.00 O ATOM 294 NE2 GLN A 17 -14.553 68.319 16.594 1.00 0.00 N ATOM 0 H GLN A 17 -13.968 70.250 21.544 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.048 70.263 19.277 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.859 71.425 19.638 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.957 71.438 18.136 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.416 68.817 19.612 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.674 69.475 18.584 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -15.561 68.203 16.694 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.078 67.956 15.768 1.00 0.00 H new ATOM 303 N GLY A 18 -11.705 72.483 21.262 1.00 0.00 N ATOM 304 CA GLY A 18 -11.178 73.847 21.568 1.00 0.00 C ATOM 305 C GLY A 18 -12.344 74.818 21.752 1.00 0.00 C ATOM 306 O GLY A 18 -12.419 75.840 21.096 1.00 0.00 O ATOM 0 H GLY A 18 -11.581 71.796 22.006 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.569 73.818 22.472 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.532 74.188 20.759 1.00 0.00 H new ATOM 310 N LEU A 19 -13.257 74.503 22.637 1.00 0.00 N ATOM 311 CA LEU A 19 -14.427 75.403 22.863 1.00 0.00 C ATOM 312 C LEU A 19 -14.327 76.072 24.222 1.00 0.00 C ATOM 313 O LEU A 19 -13.580 75.655 25.088 1.00 0.00 O ATOM 314 CB LEU A 19 -15.726 74.592 22.770 1.00 0.00 C ATOM 315 CG LEU A 19 -16.290 74.608 21.327 1.00 0.00 C ATOM 316 CD1 LEU A 19 -15.171 74.397 20.299 1.00 0.00 C ATOM 317 CD2 LEU A 19 -17.331 73.493 21.166 1.00 0.00 C ATOM 0 H LEU A 19 -13.242 73.661 23.212 1.00 0.00 H new ATOM 0 HA LEU A 19 -14.430 76.178 22.096 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.540 73.564 23.080 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.465 75.003 23.458 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.751 75.580 21.153 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.593 74.412 19.294 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.433 75.194 20.395 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.691 73.435 20.476 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -17.725 73.507 20.150 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.863 72.528 21.360 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -18.145 73.650 21.873 1.00 0.00 H new ATOM 329 N GLY A 20 -15.079 77.120 24.401 1.00 0.00 N ATOM 330 CA GLY A 20 -15.043 77.855 25.707 1.00 0.00 C ATOM 331 C GLY A 20 -16.360 78.605 25.975 1.00 0.00 C ATOM 332 O GLY A 20 -16.743 79.478 25.229 1.00 0.00 O ATOM 0 H GLY A 20 -15.718 77.504 23.705 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.855 77.150 26.516 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.215 78.564 25.703 1.00 0.00 H new ATOM 336 N ALA A 21 -17.030 78.251 27.058 1.00 0.00 N ATOM 337 CA ALA A 21 -18.327 78.891 27.486 1.00 0.00 C ATOM 338 C ALA A 21 -19.199 79.391 26.314 1.00 0.00 C ATOM 339 O ALA A 21 -20.099 78.705 25.869 1.00 0.00 O ATOM 340 CB ALA A 21 -18.014 80.057 28.432 1.00 0.00 C ATOM 0 H ALA A 21 -16.715 77.513 27.688 1.00 0.00 H new ATOM 0 HA ALA A 21 -18.912 78.118 27.985 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -18.944 80.528 28.749 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.481 79.683 29.306 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -17.394 80.789 27.914 1.00 0.00 H new ATOM 346 N SER A 22 -18.958 80.588 25.841 1.00 0.00 N ATOM 347 CA SER A 22 -19.788 81.154 24.732 1.00 0.00 C ATOM 348 C SER A 22 -19.580 80.360 23.442 1.00 0.00 C ATOM 349 O SER A 22 -20.524 79.907 22.824 1.00 0.00 O ATOM 350 CB SER A 22 -19.390 82.611 24.497 1.00 0.00 C ATOM 351 OG SER A 22 -19.457 83.320 25.728 1.00 0.00 O ATOM 0 H SER A 22 -18.217 81.202 26.178 1.00 0.00 H new ATOM 0 HA SER A 22 -20.839 81.093 25.015 1.00 0.00 H new ATOM 0 HB2 SER A 22 -18.381 82.663 24.088 1.00 0.00 H new ATOM 0 HB3 SER A 22 -20.055 83.068 23.764 1.00 0.00 H new ATOM 0 HG SER A 22 -19.201 84.255 25.582 1.00 0.00 H new ATOM 357 N HIS A 23 -18.353 80.205 23.026 1.00 0.00 N ATOM 358 CA HIS A 23 -18.065 79.458 21.768 1.00 0.00 C ATOM 359 C HIS A 23 -18.620 78.028 21.862 1.00 0.00 C ATOM 360 O HIS A 23 -19.061 77.457 20.875 1.00 0.00 O ATOM 361 CB HIS A 23 -16.554 79.424 21.552 1.00 0.00 C ATOM 362 CG HIS A 23 -16.250 78.827 20.212 1.00 0.00 C ATOM 363 ND1 HIS A 23 -16.480 79.504 19.024 1.00 0.00 N ATOM 364 CD2 HIS A 23 -15.733 77.614 19.860 1.00 0.00 C ATOM 365 CE1 HIS A 23 -16.101 78.693 18.019 1.00 0.00 C ATOM 366 NE2 HIS A 23 -15.637 77.526 18.474 1.00 0.00 N ATOM 0 H HIS A 23 -17.530 80.567 23.508 1.00 0.00 H new ATOM 0 HA HIS A 23 -18.545 79.956 20.926 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -16.145 80.433 21.613 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -16.077 78.839 22.338 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.442 76.838 20.553 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.164 78.954 16.973 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.288 76.741 17.925 1.00 0.00 H new ATOM 374 N ILE A 24 -18.625 77.449 23.042 1.00 0.00 N ATOM 375 CA ILE A 24 -19.186 76.046 23.175 1.00 0.00 C ATOM 376 C ILE A 24 -20.687 76.164 22.897 1.00 0.00 C ATOM 377 O ILE A 24 -21.287 75.310 22.291 1.00 0.00 O ATOM 378 CB ILE A 24 -19.007 75.409 24.590 1.00 0.00 C ATOM 379 CG1 ILE A 24 -18.021 76.198 25.428 1.00 0.00 C ATOM 380 CG2 ILE A 24 -18.448 73.970 24.448 1.00 0.00 C ATOM 381 CD1 ILE A 24 -17.883 75.563 26.807 1.00 0.00 C ATOM 0 H ILE A 24 -18.276 77.868 23.904 1.00 0.00 H new ATOM 0 HA ILE A 24 -18.647 75.400 22.483 1.00 0.00 H new ATOM 0 HB ILE A 24 -19.984 75.409 25.074 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -17.050 76.226 24.933 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -18.358 77.230 25.526 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -18.324 73.528 25.437 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.143 73.366 23.865 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -17.483 74.003 23.942 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -17.173 76.137 27.402 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -18.853 75.559 27.304 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -17.525 74.539 26.702 1.00 0.00 H new ATOM 393 N SER A 25 -21.289 77.245 23.336 1.00 0.00 N ATOM 394 CA SER A 25 -22.747 77.455 23.099 1.00 0.00 C ATOM 395 C SER A 25 -23.021 77.472 21.592 1.00 0.00 C ATOM 396 O SER A 25 -24.094 77.110 21.146 1.00 0.00 O ATOM 397 CB SER A 25 -23.176 78.790 23.709 1.00 0.00 C ATOM 398 OG SER A 25 -24.594 78.883 23.686 1.00 0.00 O ATOM 0 H SER A 25 -20.826 77.994 23.851 1.00 0.00 H new ATOM 0 HA SER A 25 -23.311 76.646 23.563 1.00 0.00 H new ATOM 0 HB2 SER A 25 -22.812 78.869 24.733 1.00 0.00 H new ATOM 0 HB3 SER A 25 -22.737 79.616 23.150 1.00 0.00 H new ATOM 0 HG SER A 25 -24.945 78.761 24.593 1.00 0.00 H new ATOM 404 N LYS A 26 -22.053 77.879 20.803 1.00 0.00 N ATOM 405 CA LYS A 26 -22.252 77.904 19.324 1.00 0.00 C ATOM 406 C LYS A 26 -22.445 76.469 18.838 1.00 0.00 C ATOM 407 O LYS A 26 -23.408 76.159 18.161 1.00 0.00 O ATOM 408 CB LYS A 26 -21.030 78.530 18.645 1.00 0.00 C ATOM 409 CG LYS A 26 -21.384 79.927 18.123 1.00 0.00 C ATOM 410 CD LYS A 26 -21.707 80.854 19.300 1.00 0.00 C ATOM 411 CE LYS A 26 -20.500 81.747 19.599 1.00 0.00 C ATOM 412 NZ LYS A 26 -20.765 82.546 20.829 1.00 0.00 N ATOM 0 H LYS A 26 -21.137 78.194 21.122 1.00 0.00 H new ATOM 0 HA LYS A 26 -23.129 78.501 19.074 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -20.203 78.595 19.352 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -20.696 77.898 17.822 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -20.552 80.332 17.547 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -22.239 79.868 17.449 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.576 81.468 19.064 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -21.963 80.264 20.180 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.607 81.136 19.734 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -20.307 82.411 18.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.975 83.201 20.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -21.645 83.088 20.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -20.861 81.907 21.644 1.00 0.00 H new ATOM 426 N THR A 27 -21.546 75.585 19.199 1.00 0.00 N ATOM 427 CA THR A 27 -21.691 74.160 18.779 1.00 0.00 C ATOM 428 C THR A 27 -22.791 73.518 19.636 1.00 0.00 C ATOM 429 O THR A 27 -23.886 73.271 19.166 1.00 0.00 O ATOM 430 CB THR A 27 -20.359 73.430 18.972 1.00 0.00 C ATOM 431 OG1 THR A 27 -19.302 74.254 18.501 1.00 0.00 O ATOM 432 CG2 THR A 27 -20.376 72.123 18.182 1.00 0.00 C ATOM 0 H THR A 27 -20.722 75.790 19.764 1.00 0.00 H new ATOM 0 HA THR A 27 -21.964 74.095 17.726 1.00 0.00 H new ATOM 0 HB THR A 27 -20.210 73.212 20.030 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.570 73.691 18.173 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.428 71.603 18.319 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.191 71.493 18.539 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.522 72.339 17.124 1.00 0.00 H new ATOM 440 N MET A 28 -22.524 73.288 20.899 1.00 0.00 N ATOM 441 CA MET A 28 -23.536 72.723 21.803 1.00 0.00 C ATOM 442 C MET A 28 -24.471 73.866 22.177 1.00 0.00 C ATOM 443 O MET A 28 -24.166 74.652 23.043 1.00 0.00 O ATOM 444 CB MET A 28 -22.815 72.202 23.046 1.00 0.00 C ATOM 445 CG MET A 28 -23.359 70.827 23.436 1.00 0.00 C ATOM 446 SD MET A 28 -23.550 70.694 25.244 1.00 0.00 S ATOM 447 CE MET A 28 -22.068 71.601 25.778 1.00 0.00 C ATOM 0 H MET A 28 -21.622 73.477 21.337 1.00 0.00 H new ATOM 0 HA MET A 28 -24.097 71.907 21.347 1.00 0.00 H new ATOM 0 HB2 MET A 28 -21.744 72.136 22.853 1.00 0.00 H new ATOM 0 HB3 MET A 28 -22.948 72.901 23.872 1.00 0.00 H new ATOM 0 HG2 MET A 28 -24.321 70.661 22.951 1.00 0.00 H new ATOM 0 HG3 MET A 28 -22.684 70.049 23.079 1.00 0.00 H new ATOM 0 HE1 MET A 28 -21.967 71.528 26.861 1.00 0.00 H new ATOM 0 HE2 MET A 28 -21.187 71.171 25.301 1.00 0.00 H new ATOM 0 HE3 MET A 28 -22.160 72.649 25.492 1.00 0.00 H new ATOM 457 N ASN A 29 -25.569 73.984 21.491 1.00 0.00 N ATOM 458 CA ASN A 29 -26.524 75.108 21.747 1.00 0.00 C ATOM 459 C ASN A 29 -27.059 75.101 23.189 1.00 0.00 C ATOM 460 O ASN A 29 -28.148 74.624 23.450 1.00 0.00 O ATOM 461 CB ASN A 29 -27.700 74.989 20.775 1.00 0.00 C ATOM 462 CG ASN A 29 -27.214 75.260 19.350 1.00 0.00 C ATOM 463 OD1 ASN A 29 -26.053 75.069 19.044 1.00 0.00 O ATOM 464 ND2 ASN A 29 -28.059 75.699 18.458 1.00 0.00 N ATOM 0 H ASN A 29 -25.855 73.343 20.751 1.00 0.00 H new ATOM 0 HA ASN A 29 -25.986 76.045 21.599 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -28.138 73.993 20.838 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -28.482 75.699 21.045 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -27.745 75.882 17.505 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -29.033 75.859 18.714 1.00 0.00 H new ATOM 471 N ILE A 30 -26.324 75.669 24.117 1.00 0.00 N ATOM 472 CA ILE A 30 -26.818 75.743 25.539 1.00 0.00 C ATOM 473 C ILE A 30 -26.125 76.903 26.261 1.00 0.00 C ATOM 474 O ILE A 30 -25.236 77.542 25.730 1.00 0.00 O ATOM 475 CB ILE A 30 -26.574 74.435 26.337 1.00 0.00 C ATOM 476 CG1 ILE A 30 -25.481 73.553 25.669 1.00 0.00 C ATOM 477 CG2 ILE A 30 -27.904 73.675 26.498 1.00 0.00 C ATOM 478 CD1 ILE A 30 -26.082 72.523 24.696 1.00 0.00 C ATOM 0 H ILE A 30 -25.406 76.084 23.956 1.00 0.00 H new ATOM 0 HA ILE A 30 -27.896 75.898 25.491 1.00 0.00 H new ATOM 0 HB ILE A 30 -26.199 74.692 27.328 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -24.779 74.191 25.132 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -24.913 73.033 26.441 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -27.732 72.756 27.059 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -28.617 74.300 27.035 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -28.305 73.430 25.514 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -25.281 71.930 24.254 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -26.764 71.866 25.237 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -26.627 73.042 23.908 1.00 0.00 H new ATOM 490 N ALA A 31 -26.532 77.169 27.478 1.00 0.00 N ATOM 491 CA ALA A 31 -25.910 78.279 28.265 1.00 0.00 C ATOM 492 C ALA A 31 -24.530 77.832 28.742 1.00 0.00 C ATOM 493 O ALA A 31 -24.338 76.686 29.082 1.00 0.00 O ATOM 494 CB ALA A 31 -26.789 78.605 29.475 1.00 0.00 C ATOM 0 H ALA A 31 -27.273 76.662 27.963 1.00 0.00 H new ATOM 0 HA ALA A 31 -25.817 79.168 27.641 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -26.335 79.414 30.047 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -27.778 78.912 29.134 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -26.881 77.721 30.106 1.00 0.00 H new ATOM 500 N ARG A 32 -23.563 78.716 28.741 1.00 0.00 N ATOM 501 CA ARG A 32 -22.188 78.329 29.159 1.00 0.00 C ATOM 502 C ARG A 32 -22.098 78.060 30.666 1.00 0.00 C ATOM 503 O ARG A 32 -21.405 77.151 31.086 1.00 0.00 O ATOM 504 CB ARG A 32 -21.228 79.451 28.775 1.00 0.00 C ATOM 505 CG ARG A 32 -21.638 80.762 29.455 1.00 0.00 C ATOM 506 CD ARG A 32 -20.805 80.969 30.722 1.00 0.00 C ATOM 507 NE ARG A 32 -21.503 81.936 31.625 1.00 0.00 N ATOM 508 CZ ARG A 32 -21.146 82.081 32.886 1.00 0.00 C ATOM 509 NH1 ARG A 32 -20.162 81.385 33.407 1.00 0.00 N ATOM 510 NH2 ARG A 32 -21.786 82.938 33.634 1.00 0.00 N ATOM 0 H ARG A 32 -23.671 79.692 28.467 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.921 77.403 28.650 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -20.212 79.185 29.067 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -21.225 79.581 27.693 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.492 81.598 28.772 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.698 80.737 29.706 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -20.659 80.018 31.234 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.816 81.346 30.462 1.00 0.00 H new ATOM 0 HE ARG A 32 -22.272 82.496 31.257 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.653 80.713 32.833 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.906 81.517 34.386 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.552 83.485 33.241 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.520 83.060 34.611 1.00 0.00 H new ATOM 524 N SER A 33 -22.772 78.828 31.485 1.00 0.00 N ATOM 525 CA SER A 33 -22.692 78.586 32.959 1.00 0.00 C ATOM 526 C SER A 33 -23.299 77.214 33.268 1.00 0.00 C ATOM 527 O SER A 33 -22.779 76.452 34.064 1.00 0.00 O ATOM 528 CB SER A 33 -23.467 79.673 33.706 1.00 0.00 C ATOM 529 OG SER A 33 -24.582 80.076 32.922 1.00 0.00 O ATOM 0 H SER A 33 -23.369 79.605 31.201 1.00 0.00 H new ATOM 0 HA SER A 33 -21.651 78.611 33.281 1.00 0.00 H new ATOM 0 HB2 SER A 33 -23.804 79.297 34.672 1.00 0.00 H new ATOM 0 HB3 SER A 33 -22.819 80.527 33.904 1.00 0.00 H new ATOM 0 HG SER A 33 -25.082 80.771 33.398 1.00 0.00 H new ATOM 535 N THR A 34 -24.388 76.888 32.618 1.00 0.00 N ATOM 536 CA THR A 34 -25.035 75.560 32.831 1.00 0.00 C ATOM 537 C THR A 34 -24.064 74.480 32.356 1.00 0.00 C ATOM 538 O THR A 34 -23.924 73.423 32.954 1.00 0.00 O ATOM 539 CB THR A 34 -26.318 75.498 31.996 1.00 0.00 C ATOM 540 OG1 THR A 34 -27.186 76.552 32.388 1.00 0.00 O ATOM 541 CG2 THR A 34 -27.018 74.154 32.210 1.00 0.00 C ATOM 0 H THR A 34 -24.859 77.491 31.944 1.00 0.00 H new ATOM 0 HA THR A 34 -25.279 75.410 33.883 1.00 0.00 H new ATOM 0 HB THR A 34 -26.064 75.603 30.941 1.00 0.00 H new ATOM 0 HG1 THR A 34 -28.007 76.515 31.854 1.00 0.00 H new ATOM 0 HG21 THR A 34 -27.929 74.119 31.613 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.353 73.345 31.906 1.00 0.00 H new ATOM 0 HG23 THR A 34 -27.271 74.039 33.264 1.00 0.00 H new ATOM 549 N VAL A 35 -23.377 74.762 31.282 1.00 0.00 N ATOM 550 CA VAL A 35 -22.386 73.801 30.734 1.00 0.00 C ATOM 551 C VAL A 35 -21.320 73.539 31.802 1.00 0.00 C ATOM 552 O VAL A 35 -20.748 72.469 31.857 1.00 0.00 O ATOM 553 CB VAL A 35 -21.760 74.420 29.467 1.00 0.00 C ATOM 554 CG1 VAL A 35 -20.615 73.557 28.927 1.00 0.00 C ATOM 555 CG2 VAL A 35 -22.835 74.540 28.384 1.00 0.00 C ATOM 0 H VAL A 35 -23.464 75.631 30.756 1.00 0.00 H new ATOM 0 HA VAL A 35 -22.855 72.854 30.469 1.00 0.00 H new ATOM 0 HB VAL A 35 -21.361 75.400 29.731 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -20.198 74.023 28.035 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.838 73.467 29.686 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -20.993 72.566 28.675 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -22.399 74.977 27.486 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -23.230 73.551 28.152 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -23.643 75.178 28.742 1.00 0.00 H new ATOM 565 N TYR A 36 -21.054 74.508 32.649 1.00 0.00 N ATOM 566 CA TYR A 36 -20.025 74.301 33.706 1.00 0.00 C ATOM 567 C TYR A 36 -20.553 73.353 34.764 1.00 0.00 C ATOM 568 O TYR A 36 -19.806 72.583 35.330 1.00 0.00 O ATOM 569 CB TYR A 36 -19.584 75.640 34.325 1.00 0.00 C ATOM 570 CG TYR A 36 -18.366 76.119 33.573 1.00 0.00 C ATOM 571 CD1 TYR A 36 -17.279 75.258 33.410 1.00 0.00 C ATOM 572 CD2 TYR A 36 -18.353 77.379 32.985 1.00 0.00 C ATOM 573 CE1 TYR A 36 -16.175 75.639 32.662 1.00 0.00 C ATOM 574 CE2 TYR A 36 -17.243 77.785 32.241 1.00 0.00 C ATOM 575 CZ TYR A 36 -16.147 76.913 32.072 1.00 0.00 C ATOM 576 OH TYR A 36 -15.057 77.307 31.325 1.00 0.00 O ATOM 0 H TYR A 36 -21.504 75.424 32.650 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.143 73.852 33.249 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -20.387 76.374 34.258 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -19.354 75.514 35.383 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -17.298 74.282 33.873 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -19.198 78.041 33.103 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -15.344 74.961 32.534 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.224 78.768 31.794 1.00 0.00 H new ATOM 0 HH TYR A 36 -14.983 76.740 30.529 1.00 0.00 H new ATOM 586 N LYS A 37 -21.836 73.356 35.008 1.00 0.00 N ATOM 587 CA LYS A 37 -22.414 72.409 35.981 1.00 0.00 C ATOM 588 C LYS A 37 -22.031 70.984 35.550 1.00 0.00 C ATOM 589 O LYS A 37 -21.773 70.109 36.352 1.00 0.00 O ATOM 590 CB LYS A 37 -23.921 72.565 35.914 1.00 0.00 C ATOM 591 CG LYS A 37 -24.559 72.014 37.177 1.00 0.00 C ATOM 592 CD LYS A 37 -25.780 71.184 36.794 1.00 0.00 C ATOM 593 CE LYS A 37 -25.321 69.811 36.305 1.00 0.00 C ATOM 594 NZ LYS A 37 -25.235 68.874 37.460 1.00 0.00 N ATOM 0 H LYS A 37 -22.508 73.984 34.566 1.00 0.00 H new ATOM 0 HA LYS A 37 -22.051 72.596 36.992 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -24.181 73.617 35.795 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -24.310 72.040 35.042 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -23.843 71.401 37.724 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -24.851 72.830 37.839 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -26.444 71.075 37.652 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.348 71.690 36.014 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -26.019 69.426 35.562 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -24.350 69.893 35.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -25.072 67.908 37.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -24.448 69.156 38.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -26.125 68.903 37.998 1.00 0.00 H new ATOM 608 N VAL A 38 -22.014 70.778 34.260 1.00 0.00 N ATOM 609 CA VAL A 38 -21.677 69.457 33.671 1.00 0.00 C ATOM 610 C VAL A 38 -20.190 69.089 33.882 1.00 0.00 C ATOM 611 O VAL A 38 -19.860 68.023 34.364 1.00 0.00 O ATOM 612 CB VAL A 38 -22.005 69.577 32.157 1.00 0.00 C ATOM 613 CG1 VAL A 38 -20.971 68.881 31.250 1.00 0.00 C ATOM 614 CG2 VAL A 38 -23.388 68.990 31.913 1.00 0.00 C ATOM 0 H VAL A 38 -22.228 71.499 33.571 1.00 0.00 H new ATOM 0 HA VAL A 38 -22.248 68.663 34.152 1.00 0.00 H new ATOM 0 HB VAL A 38 -21.974 70.635 31.896 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -21.261 69.004 30.207 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.989 69.327 31.408 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -20.930 67.819 31.493 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -23.634 69.066 30.854 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -23.397 67.942 32.213 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -24.125 69.541 32.497 1.00 0.00 H new ATOM 624 N ILE A 39 -19.312 69.946 33.451 1.00 0.00 N ATOM 625 CA ILE A 39 -17.837 69.669 33.524 1.00 0.00 C ATOM 626 C ILE A 39 -17.455 69.331 34.956 1.00 0.00 C ATOM 627 O ILE A 39 -16.744 68.382 35.225 1.00 0.00 O ATOM 628 CB ILE A 39 -17.014 70.875 33.036 1.00 0.00 C ATOM 629 CG1 ILE A 39 -17.785 71.741 32.059 1.00 0.00 C ATOM 630 CG2 ILE A 39 -15.755 70.387 32.315 1.00 0.00 C ATOM 631 CD1 ILE A 39 -16.924 72.914 31.713 1.00 0.00 C ATOM 0 H ILE A 39 -19.551 70.849 33.041 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.615 68.825 32.871 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.770 71.463 33.920 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.038 71.174 31.163 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -18.724 72.073 32.501 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.177 71.245 31.972 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.151 69.792 33.000 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.040 69.776 31.459 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.452 73.558 31.010 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -16.694 73.476 32.618 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.997 72.564 31.259 1.00 0.00 H new ATOM 643 N ASN A 40 -17.955 70.099 35.871 1.00 0.00 N ATOM 644 CA ASN A 40 -17.683 69.855 37.314 1.00 0.00 C ATOM 645 C ASN A 40 -18.210 68.469 37.691 1.00 0.00 C ATOM 646 O ASN A 40 -17.597 67.744 38.451 1.00 0.00 O ATOM 647 CB ASN A 40 -18.421 70.902 38.142 1.00 0.00 C ATOM 648 CG ASN A 40 -17.950 70.835 39.596 1.00 0.00 C ATOM 649 OD1 ASN A 40 -16.770 70.938 39.870 1.00 0.00 O ATOM 650 ND2 ASN A 40 -18.828 70.665 40.546 1.00 0.00 N ATOM 0 H ASN A 40 -18.553 70.903 35.681 1.00 0.00 H new ATOM 0 HA ASN A 40 -16.611 69.914 37.505 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -18.237 71.897 37.736 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.496 70.730 38.089 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -18.524 70.619 41.519 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.818 70.579 40.316 1.00 0.00 H new ATOM 657 N GLU A 41 -19.350 68.104 37.156 1.00 0.00 N ATOM 658 CA GLU A 41 -19.935 66.769 37.471 1.00 0.00 C ATOM 659 C GLU A 41 -19.010 65.666 36.949 1.00 0.00 C ATOM 660 O GLU A 41 -18.963 64.578 37.491 1.00 0.00 O ATOM 661 CB GLU A 41 -21.305 66.643 36.807 1.00 0.00 C ATOM 662 CG GLU A 41 -22.310 67.521 37.552 1.00 0.00 C ATOM 663 CD GLU A 41 -23.030 66.687 38.614 1.00 0.00 C ATOM 664 OE1 GLU A 41 -22.395 65.816 39.186 1.00 0.00 O ATOM 665 OE2 GLU A 41 -24.204 66.933 38.838 1.00 0.00 O ATOM 0 H GLU A 41 -19.899 68.676 36.514 1.00 0.00 H new ATOM 0 HA GLU A 41 -20.044 66.668 38.551 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -21.245 66.946 35.762 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -21.634 65.604 36.819 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.797 68.361 38.020 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -23.033 67.939 36.851 1.00 0.00 H new ATOM 672 N SER A 42 -18.276 65.941 35.901 1.00 0.00 N ATOM 673 CA SER A 42 -17.351 64.915 35.337 1.00 0.00 C ATOM 674 C SER A 42 -16.187 64.691 36.303 1.00 0.00 C ATOM 675 O SER A 42 -15.816 63.568 36.590 1.00 0.00 O ATOM 676 CB SER A 42 -16.811 65.400 33.992 1.00 0.00 C ATOM 677 OG SER A 42 -16.188 64.314 33.317 1.00 0.00 O ATOM 0 H SER A 42 -18.278 66.835 35.411 1.00 0.00 H new ATOM 0 HA SER A 42 -17.891 63.979 35.196 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.622 65.803 33.385 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.095 66.208 34.144 1.00 0.00 H new ATOM 0 HG SER A 42 -15.842 64.621 32.453 1.00 0.00 H new ATOM 683 N ASN A 43 -15.609 65.753 36.805 1.00 0.00 N ATOM 684 CA ASN A 43 -14.466 65.613 37.754 1.00 0.00 C ATOM 685 C ASN A 43 -14.196 66.959 38.429 1.00 0.00 C ATOM 686 O ASN A 43 -14.278 67.016 39.645 1.00 0.00 O ATOM 687 CB ASN A 43 -13.219 65.167 36.986 1.00 0.00 C ATOM 688 CG ASN A 43 -12.128 64.759 37.977 1.00 0.00 C ATOM 689 OD1 ASN A 43 -11.952 65.391 39.000 1.00 0.00 O ATOM 690 ND2 ASN A 43 -11.382 63.721 37.716 1.00 0.00 N ATOM 691 OXT ASN A 43 -13.911 67.909 37.719 1.00 0.00 O ATOM 0 H ASN A 43 -15.881 66.714 36.597 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.711 64.870 38.513 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.462 64.330 36.332 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.862 65.976 36.349 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.652 63.440 38.370 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.529 63.190 36.858 1.00 0.00 H new TER 698 ASN A 43