USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 814 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 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 14 ASN : amide:sc= -0.0094 X(o=-0.0094,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 71:sc= 0.962 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.66! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 31 ASN : amide:sc= -0.379 K(o=-0.38,f=-1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.38) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= -0.42 (180deg=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.85! C(o=-3.8!,f=-3.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.14) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0958 K(o=-0.096,f=-1.9!) USER MOD Single : A 66 HIS : no HD1:sc= -0.877 X(o=-0.88,f=-0.57) USER MOD Single : A 67 GLN : amide:sc= -0.35 K(o=-0.35,f=-3.2!) USER MOD Single : A 70 SER OG : rot 55:sc= 0.0759 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 177:sc= 0 (180deg=-0.00847) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0164) USER MOD Single : A 79 ASN : amide:sc= -0.869 K(o=-0.87,f=-2.2) USER MOD Single : A 81 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.1!) USER MOD Single : A 83 ASN : amide:sc= -0.39 K(o=-0.39,f=-3.1!) USER MOD Single : A 84 THR OG1 : rot 42:sc= 0.769 USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.091) USER MOD Single : A 91 THR OG1 : rot 6:sc= 0.477! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 52.627 -13.536 -39.570 1.00 0.00 N ATOM 2 CA ARG A 1 53.208 -12.440 -38.814 1.00 0.00 C ATOM 3 C ARG A 1 53.959 -12.977 -37.594 1.00 0.00 C ATOM 4 O ARG A 1 53.362 -13.204 -36.543 1.00 0.00 O ATOM 5 CB ARG A 1 52.130 -11.459 -38.349 1.00 0.00 C ATOM 6 CG ARG A 1 52.355 -10.071 -38.954 1.00 0.00 C ATOM 7 CD ARG A 1 51.783 -8.979 -38.047 1.00 0.00 C ATOM 8 NE ARG A 1 52.325 -7.660 -38.440 1.00 0.00 N ATOM 9 CZ ARG A 1 51.712 -6.484 -38.188 1.00 0.00 C ATOM 10 NH1 ARG A 1 50.528 -6.453 -37.540 1.00 0.00 N ATOM 11 NH2 ARG A 1 52.288 -5.364 -38.584 1.00 0.00 N ATOM 0 H1 ARG A 1 52.120 -13.158 -40.396 1.00 0.00 H new ATOM 0 H2 ARG A 1 53.382 -14.175 -39.890 1.00 0.00 H new ATOM 0 H3 ARG A 1 51.962 -14.060 -38.966 1.00 0.00 H new ATOM 0 HA ARG A 1 53.902 -11.915 -39.471 1.00 0.00 H new ATOM 0 HB2 ARG A 1 51.146 -11.830 -38.637 1.00 0.00 H new ATOM 0 HB3 ARG A 1 52.139 -11.392 -37.261 1.00 0.00 H new ATOM 0 HG2 ARG A 1 53.422 -9.904 -39.103 1.00 0.00 H new ATOM 0 HG3 ARG A 1 51.884 -10.017 -39.936 1.00 0.00 H new ATOM 0 HD2 ARG A 1 50.695 -8.970 -38.117 1.00 0.00 H new ATOM 0 HD3 ARG A 1 52.034 -9.190 -37.007 1.00 0.00 H new ATOM 0 HE ARG A 1 53.218 -7.638 -38.932 1.00 0.00 H new ATOM 0 HH11 ARG A 1 50.090 -7.323 -37.237 1.00 0.00 H new ATOM 0 HH12 ARG A 1 50.072 -5.560 -37.354 1.00 0.00 H new ATOM 0 HH21 ARG A 1 53.183 -5.396 -39.072 1.00 0.00 H new ATOM 0 HH22 ARG A 1 51.838 -4.467 -38.402 1.00 0.00 H new ATOM 24 N LYS A 2 55.259 -13.163 -37.774 1.00 0.00 N ATOM 25 CA LYS A 2 56.098 -13.668 -36.701 1.00 0.00 C ATOM 26 C LYS A 2 56.754 -12.492 -35.975 1.00 0.00 C ATOM 27 O LYS A 2 57.971 -12.325 -36.030 1.00 0.00 O ATOM 28 CB LYS A 2 57.098 -14.693 -37.240 1.00 0.00 C ATOM 29 CG LYS A 2 57.035 -15.995 -36.438 1.00 0.00 C ATOM 30 CD LYS A 2 58.440 -16.517 -36.129 1.00 0.00 C ATOM 31 CE LYS A 2 58.607 -17.959 -36.610 1.00 0.00 C ATOM 32 NZ LYS A 2 59.348 -18.757 -35.608 1.00 0.00 N ATOM 0 H LYS A 2 55.751 -12.973 -38.647 1.00 0.00 H new ATOM 0 HA LYS A 2 55.495 -14.201 -35.965 1.00 0.00 H new ATOM 0 HB2 LYS A 2 56.885 -14.897 -38.289 1.00 0.00 H new ATOM 0 HB3 LYS A 2 58.106 -14.282 -37.194 1.00 0.00 H new ATOM 0 HG2 LYS A 2 56.493 -15.827 -35.508 1.00 0.00 H new ATOM 0 HG3 LYS A 2 56.480 -16.746 -37.000 1.00 0.00 H new ATOM 0 HD2 LYS A 2 59.182 -15.881 -36.611 1.00 0.00 H new ATOM 0 HD3 LYS A 2 58.624 -16.464 -35.056 1.00 0.00 H new ATOM 0 HE2 LYS A 2 57.628 -18.405 -36.787 1.00 0.00 H new ATOM 0 HE3 LYS A 2 59.140 -17.972 -37.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 59.453 -19.733 -35.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 60.289 -18.340 -35.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 58.824 -18.759 -34.710 1.00 0.00 H new ATOM 45 N LEU A 3 55.918 -11.707 -35.312 1.00 0.00 N ATOM 46 CA LEU A 3 56.402 -10.551 -34.576 1.00 0.00 C ATOM 47 C LEU A 3 55.242 -9.927 -33.797 1.00 0.00 C ATOM 48 O LEU A 3 54.096 -10.351 -33.935 1.00 0.00 O ATOM 49 CB LEU A 3 57.107 -9.573 -35.518 1.00 0.00 C ATOM 50 CG LEU A 3 56.200 -8.615 -36.292 1.00 0.00 C ATOM 51 CD1 LEU A 3 57.018 -7.519 -36.977 1.00 0.00 C ATOM 52 CD2 LEU A 3 55.317 -9.376 -37.283 1.00 0.00 C ATOM 0 H LEU A 3 54.909 -11.848 -35.269 1.00 0.00 H new ATOM 0 HA LEU A 3 57.153 -10.851 -33.845 1.00 0.00 H new ATOM 0 HB2 LEU A 3 57.812 -8.982 -34.934 1.00 0.00 H new ATOM 0 HB3 LEU A 3 57.691 -10.148 -36.236 1.00 0.00 H new ATOM 0 HG LEU A 3 55.536 -8.124 -35.581 1.00 0.00 H new ATOM 0 HD11 LEU A 3 56.349 -6.852 -37.520 1.00 0.00 H new ATOM 0 HD12 LEU A 3 57.566 -6.951 -36.226 1.00 0.00 H new ATOM 0 HD13 LEU A 3 57.723 -7.973 -37.674 1.00 0.00 H new ATOM 0 HD21 LEU A 3 54.682 -8.671 -37.820 1.00 0.00 H new ATOM 0 HD22 LEU A 3 55.946 -9.912 -37.994 1.00 0.00 H new ATOM 0 HD23 LEU A 3 54.693 -10.087 -36.742 1.00 0.00 H new ATOM 64 N GLU A 4 55.581 -8.928 -32.995 1.00 0.00 N ATOM 65 CA GLU A 4 54.582 -8.241 -32.193 1.00 0.00 C ATOM 66 C GLU A 4 53.685 -9.254 -31.480 1.00 0.00 C ATOM 67 O GLU A 4 53.934 -10.457 -31.537 1.00 0.00 O ATOM 68 CB GLU A 4 53.754 -7.284 -33.052 1.00 0.00 C ATOM 69 CG GLU A 4 52.850 -8.055 -34.017 1.00 0.00 C ATOM 70 CD GLU A 4 51.708 -7.172 -34.522 1.00 0.00 C ATOM 71 OE1 GLU A 4 51.946 -6.033 -34.949 1.00 0.00 O ATOM 72 OE2 GLU A 4 50.536 -7.710 -34.463 1.00 0.00 O ATOM 0 H GLU A 4 56.533 -8.578 -32.883 1.00 0.00 H new ATOM 0 HA GLU A 4 55.096 -7.647 -31.438 1.00 0.00 H new ATOM 0 HB2 GLU A 4 53.146 -6.647 -32.410 1.00 0.00 H new ATOM 0 HB3 GLU A 4 54.418 -6.628 -33.615 1.00 0.00 H new ATOM 0 HG2 GLU A 4 53.437 -8.415 -34.862 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.442 -8.933 -33.516 1.00 0.00 H new ATOM 80 N LEU A 5 52.660 -8.730 -30.824 1.00 0.00 N ATOM 81 CA LEU A 5 51.724 -9.573 -30.100 1.00 0.00 C ATOM 82 C LEU A 5 52.469 -10.316 -28.988 1.00 0.00 C ATOM 83 O LEU A 5 53.683 -10.178 -28.850 1.00 0.00 O ATOM 84 CB LEU A 5 50.979 -10.497 -31.065 1.00 0.00 C ATOM 85 CG LEU A 5 49.507 -10.761 -30.739 1.00 0.00 C ATOM 86 CD1 LEU A 5 48.596 -9.797 -31.502 1.00 0.00 C ATOM 87 CD2 LEU A 5 49.141 -12.223 -31.000 1.00 0.00 C ATOM 0 H LEU A 5 52.457 -7.731 -30.779 1.00 0.00 H new ATOM 0 HA LEU A 5 50.956 -8.966 -29.620 1.00 0.00 H new ATOM 0 HB2 LEU A 5 51.038 -10.068 -32.065 1.00 0.00 H new ATOM 0 HB3 LEU A 5 51.501 -11.453 -31.097 1.00 0.00 H new ATOM 0 HG LEU A 5 49.354 -10.576 -29.676 1.00 0.00 H new ATOM 0 HD11 LEU A 5 47.556 -10.006 -31.253 1.00 0.00 H new ATOM 0 HD12 LEU A 5 48.837 -8.771 -31.224 1.00 0.00 H new ATOM 0 HD13 LEU A 5 48.745 -9.927 -32.574 1.00 0.00 H new ATOM 0 HD21 LEU A 5 48.090 -12.383 -30.760 1.00 0.00 H new ATOM 0 HD22 LEU A 5 49.314 -12.460 -32.050 1.00 0.00 H new ATOM 0 HD23 LEU A 5 49.758 -12.870 -30.376 1.00 0.00 H new ATOM 99 N THR A 6 51.709 -11.088 -28.224 1.00 0.00 N ATOM 100 CA THR A 6 52.282 -11.852 -27.130 1.00 0.00 C ATOM 101 C THR A 6 53.384 -11.049 -26.437 1.00 0.00 C ATOM 102 O THR A 6 54.531 -11.488 -26.374 1.00 0.00 O ATOM 103 CB THR A 6 52.766 -13.191 -27.690 1.00 0.00 C ATOM 104 OG1 THR A 6 51.889 -13.448 -28.783 1.00 0.00 O ATOM 105 CG2 THR A 6 52.515 -14.354 -26.729 1.00 0.00 C ATOM 0 H THR A 6 50.702 -11.200 -28.342 1.00 0.00 H new ATOM 0 HA THR A 6 51.539 -12.056 -26.359 1.00 0.00 H new ATOM 0 HB THR A 6 53.831 -13.127 -27.911 1.00 0.00 H new ATOM 0 HG1 THR A 6 52.133 -14.298 -29.205 1.00 0.00 H new ATOM 0 HG21 THR A 6 52.877 -15.280 -27.176 1.00 0.00 H new ATOM 0 HG22 THR A 6 53.042 -14.172 -25.792 1.00 0.00 H new ATOM 0 HG23 THR A 6 51.446 -14.440 -26.533 1.00 0.00 H new ATOM 113 N LYS A 7 52.997 -9.885 -25.934 1.00 0.00 N ATOM 114 CA LYS A 7 53.938 -9.017 -25.248 1.00 0.00 C ATOM 115 C LYS A 7 54.459 -9.724 -23.996 1.00 0.00 C ATOM 116 O LYS A 7 54.027 -10.831 -23.679 1.00 0.00 O ATOM 117 CB LYS A 7 53.302 -7.654 -24.966 1.00 0.00 C ATOM 118 CG LYS A 7 52.656 -7.079 -26.227 1.00 0.00 C ATOM 119 CD LYS A 7 53.667 -6.270 -27.042 1.00 0.00 C ATOM 120 CE LYS A 7 53.541 -4.775 -26.745 1.00 0.00 C ATOM 121 NZ LYS A 7 54.495 -4.000 -27.569 1.00 0.00 N ATOM 0 H LYS A 7 52.045 -9.524 -25.988 1.00 0.00 H new ATOM 0 HA LYS A 7 54.801 -8.815 -25.882 1.00 0.00 H new ATOM 0 HB2 LYS A 7 52.551 -7.754 -24.182 1.00 0.00 H new ATOM 0 HB3 LYS A 7 54.060 -6.965 -24.595 1.00 0.00 H new ATOM 0 HG2 LYS A 7 52.257 -7.889 -26.837 1.00 0.00 H new ATOM 0 HG3 LYS A 7 51.814 -6.444 -25.951 1.00 0.00 H new ATOM 0 HD2 LYS A 7 54.678 -6.606 -26.811 1.00 0.00 H new ATOM 0 HD3 LYS A 7 53.507 -6.448 -28.106 1.00 0.00 H new ATOM 0 HE2 LYS A 7 52.523 -4.443 -26.948 1.00 0.00 H new ATOM 0 HE3 LYS A 7 53.732 -4.591 -25.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 54.396 -2.987 -27.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 55.466 -4.306 -27.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 54.295 -4.162 -28.577 1.00 0.00 H new ATOM 134 N ALA A 8 55.380 -9.055 -23.317 1.00 0.00 N ATOM 135 CA ALA A 8 55.965 -9.606 -22.106 1.00 0.00 C ATOM 136 C ALA A 8 56.786 -10.847 -22.460 1.00 0.00 C ATOM 137 O ALA A 8 56.284 -11.765 -23.105 1.00 0.00 O ATOM 138 CB ALA A 8 54.856 -9.909 -21.097 1.00 0.00 C ATOM 0 H ALA A 8 55.735 -8.137 -23.583 1.00 0.00 H new ATOM 0 HA ALA A 8 56.640 -8.886 -21.643 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.294 -10.322 -20.188 1.00 0.00 H new ATOM 0 HB2 ALA A 8 54.322 -8.990 -20.857 1.00 0.00 H new ATOM 0 HB3 ALA A 8 54.161 -10.631 -21.526 1.00 0.00 H new ATOM 144 N GLU A 9 58.037 -10.834 -22.023 1.00 0.00 N ATOM 145 CA GLU A 9 58.934 -11.946 -22.286 1.00 0.00 C ATOM 146 C GLU A 9 59.803 -12.229 -21.058 1.00 0.00 C ATOM 147 O GLU A 9 60.793 -12.953 -21.148 1.00 0.00 O ATOM 148 CB GLU A 9 59.798 -11.675 -23.519 1.00 0.00 C ATOM 149 CG GLU A 9 59.135 -12.224 -24.784 1.00 0.00 C ATOM 150 CD GLU A 9 60.160 -12.402 -25.906 1.00 0.00 C ATOM 151 OE1 GLU A 9 60.827 -11.433 -26.296 1.00 0.00 O ATOM 152 OE2 GLU A 9 60.251 -13.601 -26.375 1.00 0.00 O ATOM 0 H GLU A 9 58.450 -10.070 -21.488 1.00 0.00 H new ATOM 0 HA GLU A 9 58.332 -12.831 -22.493 1.00 0.00 H new ATOM 0 HB2 GLU A 9 59.960 -10.602 -23.625 1.00 0.00 H new ATOM 0 HB3 GLU A 9 60.778 -12.134 -23.389 1.00 0.00 H new ATOM 0 HG2 GLU A 9 58.661 -13.181 -24.565 1.00 0.00 H new ATOM 0 HG3 GLU A 9 58.347 -11.545 -25.110 1.00 0.00 H new ATOM 160 N LYS A 10 59.400 -11.643 -19.940 1.00 0.00 N ATOM 161 CA LYS A 10 60.130 -11.823 -18.697 1.00 0.00 C ATOM 162 C LYS A 10 59.247 -12.572 -17.696 1.00 0.00 C ATOM 163 O LYS A 10 59.736 -13.399 -16.928 1.00 0.00 O ATOM 164 CB LYS A 10 60.644 -10.479 -18.178 1.00 0.00 C ATOM 165 CG LYS A 10 59.531 -9.429 -18.179 1.00 0.00 C ATOM 166 CD LYS A 10 59.703 -8.446 -17.020 1.00 0.00 C ATOM 167 CE LYS A 10 60.932 -7.559 -17.230 1.00 0.00 C ATOM 168 NZ LYS A 10 60.686 -6.199 -16.701 1.00 0.00 N ATOM 0 H LYS A 10 58.578 -11.044 -19.869 1.00 0.00 H new ATOM 0 HA LYS A 10 61.017 -12.435 -18.861 1.00 0.00 H new ATOM 0 HB2 LYS A 10 61.033 -10.600 -17.167 1.00 0.00 H new ATOM 0 HB3 LYS A 10 61.472 -10.137 -18.800 1.00 0.00 H new ATOM 0 HG2 LYS A 10 59.539 -8.887 -19.125 1.00 0.00 H new ATOM 0 HG3 LYS A 10 58.562 -9.921 -18.102 1.00 0.00 H new ATOM 0 HD2 LYS A 10 58.812 -7.824 -16.931 1.00 0.00 H new ATOM 0 HD3 LYS A 10 59.803 -8.996 -16.084 1.00 0.00 H new ATOM 0 HE2 LYS A 10 61.795 -7.999 -16.731 1.00 0.00 H new ATOM 0 HE3 LYS A 10 61.171 -7.505 -18.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 61.530 -5.610 -16.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 59.875 -5.775 -17.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 60.480 -6.254 -15.683 1.00 0.00 H new ATOM 181 N HIS A 11 57.961 -12.254 -17.737 1.00 0.00 N ATOM 182 CA HIS A 11 57.005 -12.886 -16.843 1.00 0.00 C ATOM 183 C HIS A 11 57.294 -12.465 -15.402 1.00 0.00 C ATOM 184 O HIS A 11 58.439 -12.514 -14.954 1.00 0.00 O ATOM 185 CB HIS A 11 57.010 -14.405 -17.029 1.00 0.00 C ATOM 186 CG HIS A 11 56.041 -14.899 -18.077 1.00 0.00 C ATOM 187 ND1 HIS A 11 56.322 -14.869 -19.432 1.00 0.00 N ATOM 188 CD2 HIS A 11 54.793 -15.435 -17.955 1.00 0.00 C ATOM 189 CE1 HIS A 11 55.283 -15.366 -20.086 1.00 0.00 C ATOM 190 NE2 HIS A 11 54.336 -15.716 -19.169 1.00 0.00 N ATOM 0 H HIS A 11 57.559 -11.567 -18.375 1.00 0.00 H new ATOM 0 HA HIS A 11 55.997 -12.551 -17.087 1.00 0.00 H new ATOM 0 HB2 HIS A 11 58.016 -14.724 -17.300 1.00 0.00 H new ATOM 0 HB3 HIS A 11 56.771 -14.878 -16.076 1.00 0.00 H new ATOM 0 HD2 HIS A 11 54.266 -15.602 -17.027 1.00 0.00 H new ATOM 0 HE1 HIS A 11 55.200 -15.475 -21.157 1.00 0.00 H new ATOM 0 HE2 HIS A 11 53.426 -16.126 -19.381 1.00 0.00 H new ATOM 198 N VAL A 12 56.237 -12.059 -14.714 1.00 0.00 N ATOM 199 CA VAL A 12 56.362 -11.630 -13.332 1.00 0.00 C ATOM 200 C VAL A 12 54.979 -11.270 -12.786 1.00 0.00 C ATOM 201 O VAL A 12 54.232 -10.525 -13.419 1.00 0.00 O ATOM 202 CB VAL A 12 57.362 -10.476 -13.232 1.00 0.00 C ATOM 203 CG1 VAL A 12 57.025 -9.369 -14.233 1.00 0.00 C ATOM 204 CG2 VAL A 12 57.423 -9.925 -11.806 1.00 0.00 C ATOM 0 H VAL A 12 55.289 -12.018 -15.089 1.00 0.00 H new ATOM 0 HA VAL A 12 56.754 -12.439 -12.715 1.00 0.00 H new ATOM 0 HB VAL A 12 58.348 -10.866 -13.483 1.00 0.00 H new ATOM 0 HG11 VAL A 12 57.751 -8.561 -14.141 1.00 0.00 H new ATOM 0 HG12 VAL A 12 57.057 -9.772 -15.245 1.00 0.00 H new ATOM 0 HG13 VAL A 12 56.026 -8.984 -14.027 1.00 0.00 H new ATOM 0 HG21 VAL A 12 58.141 -9.106 -11.763 1.00 0.00 H new ATOM 0 HG22 VAL A 12 56.438 -9.560 -11.515 1.00 0.00 H new ATOM 0 HG23 VAL A 12 57.733 -10.716 -11.123 1.00 0.00 H new ATOM 214 N HIS A 13 54.679 -11.817 -11.617 1.00 0.00 N ATOM 215 CA HIS A 13 53.398 -11.563 -10.979 1.00 0.00 C ATOM 216 C HIS A 13 52.275 -12.167 -11.825 1.00 0.00 C ATOM 217 O HIS A 13 51.286 -11.498 -12.119 1.00 0.00 O ATOM 218 CB HIS A 13 53.207 -10.068 -10.720 1.00 0.00 C ATOM 219 CG HIS A 13 53.810 -9.587 -9.422 1.00 0.00 C ATOM 220 ND1 HIS A 13 54.942 -10.156 -8.865 1.00 0.00 N ATOM 221 CD2 HIS A 13 53.427 -8.586 -8.578 1.00 0.00 C ATOM 222 CE1 HIS A 13 55.218 -9.519 -7.737 1.00 0.00 C ATOM 223 NE2 HIS A 13 54.278 -8.547 -7.560 1.00 0.00 N ATOM 0 H HIS A 13 55.301 -12.435 -11.095 1.00 0.00 H new ATOM 0 HA HIS A 13 53.371 -12.047 -10.003 1.00 0.00 H new ATOM 0 HB2 HIS A 13 53.649 -9.508 -11.544 1.00 0.00 H new ATOM 0 HB3 HIS A 13 52.140 -9.843 -10.718 1.00 0.00 H new ATOM 0 HD2 HIS A 13 52.576 -7.936 -8.715 1.00 0.00 H new ATOM 0 HE1 HIS A 13 56.043 -9.732 -7.074 1.00 0.00 H new ATOM 0 HE2 HIS A 13 54.236 -7.897 -6.775 1.00 0.00 H new ATOM 231 N ASN A 14 52.465 -13.426 -12.192 1.00 0.00 N ATOM 232 CA ASN A 14 51.481 -14.127 -12.998 1.00 0.00 C ATOM 233 C ASN A 14 50.516 -14.877 -12.078 1.00 0.00 C ATOM 234 O ASN A 14 50.090 -15.988 -12.391 1.00 0.00 O ATOM 235 CB ASN A 14 52.150 -15.152 -13.917 1.00 0.00 C ATOM 236 CG ASN A 14 51.310 -15.393 -15.172 1.00 0.00 C ATOM 237 OD1 ASN A 14 50.666 -16.417 -15.332 1.00 0.00 O ATOM 238 ND2 ASN A 14 51.352 -14.396 -16.051 1.00 0.00 N ATOM 0 H ASN A 14 53.286 -13.978 -11.946 1.00 0.00 H new ATOM 0 HA ASN A 14 50.954 -13.389 -13.603 1.00 0.00 H new ATOM 0 HB2 ASN A 14 53.141 -14.799 -14.201 1.00 0.00 H new ATOM 0 HB3 ASN A 14 52.287 -16.091 -13.381 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.825 -14.461 -16.922 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.912 -13.566 -15.855 1.00 0.00 H new ATOM 245 N PHE A 15 50.198 -14.240 -10.960 1.00 0.00 N ATOM 246 CA PHE A 15 49.291 -14.833 -9.992 1.00 0.00 C ATOM 247 C PHE A 15 47.989 -15.277 -10.662 1.00 0.00 C ATOM 248 O PHE A 15 47.757 -14.983 -11.833 1.00 0.00 O ATOM 249 CB PHE A 15 48.975 -13.753 -8.956 1.00 0.00 C ATOM 250 CG PHE A 15 50.092 -13.524 -7.935 1.00 0.00 C ATOM 251 CD1 PHE A 15 51.086 -12.636 -8.203 1.00 0.00 C ATOM 252 CD2 PHE A 15 50.091 -14.209 -6.760 1.00 0.00 C ATOM 253 CE1 PHE A 15 52.123 -12.423 -7.256 1.00 0.00 C ATOM 254 CE2 PHE A 15 51.127 -13.997 -5.813 1.00 0.00 C ATOM 255 CZ PHE A 15 52.121 -13.108 -6.081 1.00 0.00 C ATOM 0 H PHE A 15 50.553 -13.319 -10.703 1.00 0.00 H new ATOM 0 HA PHE A 15 49.752 -15.710 -9.538 1.00 0.00 H new ATOM 0 HB2 PHE A 15 48.772 -12.816 -9.474 1.00 0.00 H new ATOM 0 HB3 PHE A 15 48.063 -14.028 -8.426 1.00 0.00 H new ATOM 0 HD1 PHE A 15 51.087 -12.092 -9.136 1.00 0.00 H new ATOM 0 HD2 PHE A 15 49.302 -14.915 -6.547 1.00 0.00 H new ATOM 0 HE1 PHE A 15 52.913 -11.718 -7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 15 51.126 -14.541 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 15 52.909 -12.946 -5.360 1.00 0.00 H new ATOM 265 N MET A 16 47.173 -15.979 -9.889 1.00 0.00 N ATOM 266 CA MET A 16 45.901 -16.467 -10.392 1.00 0.00 C ATOM 267 C MET A 16 44.855 -15.350 -10.415 1.00 0.00 C ATOM 268 O MET A 16 43.915 -15.357 -9.622 1.00 0.00 O ATOM 269 CB MET A 16 45.405 -17.611 -9.505 1.00 0.00 C ATOM 270 CG MET A 16 46.221 -18.883 -9.744 1.00 0.00 C ATOM 271 SD MET A 16 45.140 -20.223 -10.215 1.00 0.00 S ATOM 272 CE MET A 16 45.852 -21.548 -9.255 1.00 0.00 C ATOM 0 H MET A 16 47.369 -16.221 -8.918 1.00 0.00 H new ATOM 0 HA MET A 16 46.048 -16.823 -11.412 1.00 0.00 H new ATOM 0 HB2 MET A 16 45.476 -17.320 -8.457 1.00 0.00 H new ATOM 0 HB3 MET A 16 44.352 -17.806 -9.711 1.00 0.00 H new ATOM 0 HG2 MET A 16 46.960 -18.709 -10.526 1.00 0.00 H new ATOM 0 HG3 MET A 16 46.770 -19.148 -8.840 1.00 0.00 H new ATOM 0 HE1 MET A 16 45.293 -22.467 -9.432 1.00 0.00 H new ATOM 0 HE2 MET A 16 46.891 -21.693 -9.550 1.00 0.00 H new ATOM 0 HE3 MET A 16 45.807 -21.295 -8.196 1.00 0.00 H new ATOM 282 N MET A 17 45.055 -14.415 -11.333 1.00 0.00 N ATOM 283 CA MET A 17 44.142 -13.293 -11.470 1.00 0.00 C ATOM 284 C MET A 17 44.370 -12.262 -10.363 1.00 0.00 C ATOM 285 O MET A 17 44.594 -11.085 -10.643 1.00 0.00 O ATOM 286 CB MET A 17 42.699 -13.799 -11.408 1.00 0.00 C ATOM 287 CG MET A 17 42.545 -15.114 -12.174 1.00 0.00 C ATOM 288 SD MET A 17 40.860 -15.303 -12.730 1.00 0.00 S ATOM 289 CE MET A 17 41.009 -14.670 -14.393 1.00 0.00 C ATOM 0 H MET A 17 45.836 -14.412 -11.989 1.00 0.00 H new ATOM 0 HA MET A 17 44.327 -12.813 -12.431 1.00 0.00 H new ATOM 0 HB2 MET A 17 42.405 -13.943 -10.368 1.00 0.00 H new ATOM 0 HB3 MET A 17 42.029 -13.049 -11.828 1.00 0.00 H new ATOM 0 HG2 MET A 17 43.222 -15.128 -13.028 1.00 0.00 H new ATOM 0 HG3 MET A 17 42.822 -15.952 -11.534 1.00 0.00 H new ATOM 0 HE1 MET A 17 40.039 -14.716 -14.888 1.00 0.00 H new ATOM 0 HE2 MET A 17 41.351 -13.635 -14.359 1.00 0.00 H new ATOM 0 HE3 MET A 17 41.728 -15.272 -14.948 1.00 0.00 H new ATOM 299 N ASP A 18 44.306 -12.741 -9.130 1.00 0.00 N ATOM 300 CA ASP A 18 44.504 -11.875 -7.980 1.00 0.00 C ATOM 301 C ASP A 18 44.334 -12.692 -6.697 1.00 0.00 C ATOM 302 O ASP A 18 43.216 -13.034 -6.317 1.00 0.00 O ATOM 303 CB ASP A 18 43.474 -10.744 -7.959 1.00 0.00 C ATOM 304 CG ASP A 18 42.028 -11.181 -8.201 1.00 0.00 C ATOM 305 OD1 ASP A 18 41.392 -11.796 -7.332 1.00 0.00 O ATOM 306 OD2 ASP A 18 41.547 -10.862 -9.355 1.00 0.00 O ATOM 0 H ASP A 18 44.120 -13.718 -8.902 1.00 0.00 H new ATOM 0 HA ASP A 18 45.506 -11.450 -8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 18 43.529 -10.241 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 18 43.747 -10.010 -8.717 1.00 0.00 H new ATOM 312 N THR A 19 45.462 -12.982 -6.065 1.00 0.00 N ATOM 313 CA THR A 19 45.453 -13.752 -4.833 1.00 0.00 C ATOM 314 C THR A 19 45.880 -12.877 -3.653 1.00 0.00 C ATOM 315 O THR A 19 46.877 -13.162 -2.992 1.00 0.00 O ATOM 316 CB THR A 19 46.347 -14.977 -5.035 1.00 0.00 C ATOM 317 OG1 THR A 19 47.672 -14.462 -4.930 1.00 0.00 O ATOM 318 CG2 THR A 19 46.273 -15.528 -6.460 1.00 0.00 C ATOM 0 H THR A 19 46.388 -12.697 -6.383 1.00 0.00 H new ATOM 0 HA THR A 19 44.449 -14.100 -4.592 1.00 0.00 H new ATOM 0 HB THR A 19 46.059 -15.756 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 19 47.852 -14.210 -4.000 1.00 0.00 H new ATOM 0 HG21 THR A 19 46.926 -16.396 -6.549 1.00 0.00 H new ATOM 0 HG22 THR A 19 45.247 -15.821 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 19 46.593 -14.760 -7.164 1.00 0.00 H new ATOM 326 N GLN A 20 45.104 -11.827 -3.425 1.00 0.00 N ATOM 327 CA GLN A 20 45.389 -10.908 -2.337 1.00 0.00 C ATOM 328 C GLN A 20 46.791 -10.316 -2.495 1.00 0.00 C ATOM 329 O GLN A 20 47.617 -10.418 -1.590 1.00 0.00 O ATOM 330 CB GLN A 20 45.235 -11.599 -0.981 1.00 0.00 C ATOM 331 CG GLN A 20 43.767 -11.640 -0.549 1.00 0.00 C ATOM 332 CD GLN A 20 43.515 -12.790 0.428 1.00 0.00 C ATOM 333 OE1 GLN A 20 43.080 -13.869 0.058 1.00 0.00 O ATOM 334 NE2 GLN A 20 43.812 -12.502 1.692 1.00 0.00 N ATOM 0 H GLN A 20 44.278 -11.593 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 20 44.666 -10.094 -2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 20 45.629 -12.614 -1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 20 45.824 -11.071 -0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 20 43.496 -10.694 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 20 43.129 -11.756 -1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 20 44.173 -11.579 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 20 43.679 -13.204 2.420 1.00 0.00 H new ATOM 343 N LEU A 21 47.016 -9.711 -3.652 1.00 0.00 N ATOM 344 CA LEU A 21 48.304 -9.103 -3.940 1.00 0.00 C ATOM 345 C LEU A 21 48.112 -7.606 -4.192 1.00 0.00 C ATOM 346 O LEU A 21 48.803 -6.780 -3.599 1.00 0.00 O ATOM 347 CB LEU A 21 48.997 -9.836 -5.091 1.00 0.00 C ATOM 348 CG LEU A 21 48.208 -9.929 -6.399 1.00 0.00 C ATOM 349 CD1 LEU A 21 48.428 -8.685 -7.261 1.00 0.00 C ATOM 350 CD2 LEU A 21 48.546 -11.217 -7.152 1.00 0.00 C ATOM 0 H LEU A 21 46.328 -9.629 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 21 48.971 -9.200 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 21 49.944 -9.336 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 21 49.235 -10.847 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 21 47.146 -9.968 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 21 47.856 -8.777 -8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 21 48.097 -7.801 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 21 49.488 -8.589 -7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 21 47.972 -11.259 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 49.611 -11.234 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 21 48.296 -12.078 -6.531 1.00 0.00 H new ATOM 362 N THR A 22 47.168 -7.303 -5.071 1.00 0.00 N ATOM 363 CA THR A 22 46.877 -5.920 -5.409 1.00 0.00 C ATOM 364 C THR A 22 46.062 -5.260 -4.295 1.00 0.00 C ATOM 365 O THR A 22 44.834 -5.226 -4.356 1.00 0.00 O ATOM 366 CB THR A 22 46.173 -5.903 -6.767 1.00 0.00 C ATOM 367 OG1 THR A 22 47.227 -6.106 -7.706 1.00 0.00 O ATOM 368 CG2 THR A 22 45.619 -4.522 -7.122 1.00 0.00 C ATOM 0 H THR A 22 46.595 -7.991 -5.559 1.00 0.00 H new ATOM 0 HA THR A 22 47.791 -5.333 -5.493 1.00 0.00 H new ATOM 0 HB THR A 22 45.361 -6.630 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 22 46.859 -6.111 -8.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 45.130 -4.565 -8.095 1.00 0.00 H new ATOM 0 HG22 THR A 22 44.897 -4.214 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 22 46.435 -3.801 -7.158 1.00 0.00 H new ATOM 376 N LYS A 23 46.778 -4.753 -3.302 1.00 0.00 N ATOM 377 CA LYS A 23 46.137 -4.096 -2.176 1.00 0.00 C ATOM 378 C LYS A 23 45.822 -2.645 -2.548 1.00 0.00 C ATOM 379 O LYS A 23 46.039 -2.232 -3.687 1.00 0.00 O ATOM 380 CB LYS A 23 46.993 -4.235 -0.916 1.00 0.00 C ATOM 381 CG LYS A 23 48.162 -3.249 -0.935 1.00 0.00 C ATOM 382 CD LYS A 23 49.501 -3.983 -0.830 1.00 0.00 C ATOM 383 CE LYS A 23 50.645 -3.115 -1.358 1.00 0.00 C ATOM 384 NZ LYS A 23 51.002 -3.510 -2.738 1.00 0.00 N ATOM 0 H LYS A 23 47.796 -4.784 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 23 45.188 -4.579 -1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 23 46.378 -4.059 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 23 47.373 -5.254 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 23 48.135 -2.665 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 23 48.063 -2.546 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 23 49.693 -4.251 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 23 49.455 -4.914 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 23 50.352 -2.065 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 23 51.515 -3.215 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 51.780 -2.911 -3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 51.302 -4.506 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 50.175 -3.392 -3.358 1.00 0.00 H new ATOM 397 N ARG A 24 45.318 -1.912 -1.567 1.00 0.00 N ATOM 398 CA ARG A 24 44.971 -0.516 -1.778 1.00 0.00 C ATOM 399 C ARG A 24 46.227 0.356 -1.720 1.00 0.00 C ATOM 400 O ARG A 24 47.335 -0.129 -1.940 1.00 0.00 O ATOM 401 CB ARG A 24 43.973 -0.032 -0.725 1.00 0.00 C ATOM 402 CG ARG A 24 42.790 0.685 -1.379 1.00 0.00 C ATOM 403 CD ARG A 24 42.557 2.055 -0.741 1.00 0.00 C ATOM 404 NE ARG A 24 41.110 2.365 -0.720 1.00 0.00 N ATOM 405 CZ ARG A 24 40.604 3.616 -0.697 1.00 0.00 C ATOM 406 NH1 ARG A 24 41.426 4.688 -0.692 1.00 0.00 N ATOM 407 NH2 ARG A 24 39.294 3.777 -0.680 1.00 0.00 N ATOM 0 H ARG A 24 45.141 -2.258 -0.624 1.00 0.00 H new ATOM 0 HA ARG A 24 44.511 -0.433 -2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 24 43.612 -0.881 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 24 44.472 0.642 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 24 42.978 0.804 -2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 24 41.891 0.076 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 24 42.954 2.065 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 24 43.093 2.822 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 24 40.454 1.584 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 24 42.437 4.555 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 24 41.035 5.630 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 24 38.680 2.963 -0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 24 38.896 4.716 -0.663 1.00 0.00 H new ATOM 420 N VAL A 25 46.011 1.629 -1.422 1.00 0.00 N ATOM 421 CA VAL A 25 47.111 2.574 -1.333 1.00 0.00 C ATOM 422 C VAL A 25 47.713 2.517 0.072 1.00 0.00 C ATOM 423 O VAL A 25 47.917 3.551 0.707 1.00 0.00 O ATOM 424 CB VAL A 25 46.632 3.974 -1.722 1.00 0.00 C ATOM 425 CG1 VAL A 25 46.496 4.105 -3.240 1.00 0.00 C ATOM 426 CG2 VAL A 25 45.315 4.316 -1.022 1.00 0.00 C ATOM 0 H VAL A 25 45.090 2.028 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 25 47.900 2.309 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 25 47.384 4.690 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 25 46.154 5.110 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 25 47.463 3.924 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 25 45.774 3.375 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 25 44.996 5.316 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 25 44.552 3.593 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 25 45.458 4.283 0.058 1.00 0.00 H new ATOM 436 N LYS A 26 47.981 1.298 0.518 1.00 0.00 N ATOM 437 CA LYS A 26 48.556 1.093 1.837 1.00 0.00 C ATOM 438 C LYS A 26 47.442 1.121 2.884 1.00 0.00 C ATOM 439 O LYS A 26 47.672 1.503 4.030 1.00 0.00 O ATOM 440 CB LYS A 26 49.672 2.107 2.098 1.00 0.00 C ATOM 441 CG LYS A 26 50.952 1.407 2.560 1.00 0.00 C ATOM 442 CD LYS A 26 50.630 0.216 3.465 1.00 0.00 C ATOM 443 CE LYS A 26 51.612 0.136 4.635 1.00 0.00 C ATOM 444 NZ LYS A 26 50.890 -0.107 5.904 1.00 0.00 N ATOM 0 H LYS A 26 47.811 0.442 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 26 49.027 0.112 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 26 49.872 2.675 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 26 49.350 2.821 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 26 51.518 1.067 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 26 51.585 2.115 3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 26 49.613 0.308 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 26 50.672 -0.707 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 26 52.331 -0.665 4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 26 52.180 1.064 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 51.572 -0.158 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 50.222 0.671 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 50.368 -1.004 5.840 1.00 0.00 H new ATOM 457 N ASN A 27 46.258 0.712 2.453 1.00 0.00 N ATOM 458 CA ASN A 27 45.107 0.686 3.339 1.00 0.00 C ATOM 459 C ASN A 27 45.118 1.937 4.221 1.00 0.00 C ATOM 460 O ASN A 27 44.646 1.904 5.356 1.00 0.00 O ATOM 461 CB ASN A 27 45.145 -0.539 4.256 1.00 0.00 C ATOM 462 CG ASN A 27 45.662 -1.768 3.506 1.00 0.00 C ATOM 463 OD1 ASN A 27 45.328 -2.014 2.359 1.00 0.00 O ATOM 464 ND2 ASN A 27 46.493 -2.525 4.217 1.00 0.00 N ATOM 0 H ASN A 27 46.071 0.396 1.501 1.00 0.00 H new ATOM 0 HA ASN A 27 44.209 0.648 2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 27 45.786 -0.336 5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 27 44.146 -0.739 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 27 46.892 -3.369 3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 27 46.731 -2.261 5.173 1.00 0.00 H new ATOM 471 N ALA A 28 45.663 3.009 3.664 1.00 0.00 N ATOM 472 CA ALA A 28 45.742 4.268 4.385 1.00 0.00 C ATOM 473 C ALA A 28 44.365 4.935 4.390 1.00 0.00 C ATOM 474 O ALA A 28 44.149 5.915 5.101 1.00 0.00 O ATOM 475 CB ALA A 28 46.817 5.152 3.751 1.00 0.00 C ATOM 0 H ALA A 28 46.054 3.031 2.722 1.00 0.00 H new ATOM 0 HA ALA A 28 46.030 4.099 5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.877 6.097 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 28 47.781 4.645 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.561 5.346 2.709 1.00 0.00 H new ATOM 481 N ALA A 29 43.470 4.378 3.587 1.00 0.00 N ATOM 482 CA ALA A 29 42.121 4.908 3.490 1.00 0.00 C ATOM 483 C ALA A 29 41.362 4.599 4.782 1.00 0.00 C ATOM 484 O ALA A 29 40.766 5.490 5.384 1.00 0.00 O ATOM 485 CB ALA A 29 41.431 4.324 2.255 1.00 0.00 C ATOM 0 H ALA A 29 43.653 3.566 2.998 1.00 0.00 H new ATOM 0 HA ALA A 29 42.142 5.991 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.419 4.721 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.993 4.596 1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 29 41.389 3.238 2.341 1.00 0.00 H new ATOM 491 N ALA A 30 41.409 3.333 5.170 1.00 0.00 N ATOM 492 CA ALA A 30 40.733 2.895 6.379 1.00 0.00 C ATOM 493 C ALA A 30 39.227 3.115 6.224 1.00 0.00 C ATOM 494 O ALA A 30 38.495 2.193 5.867 1.00 0.00 O ATOM 495 CB ALA A 30 41.310 3.640 7.585 1.00 0.00 C ATOM 0 H ALA A 30 41.905 2.596 4.668 1.00 0.00 H new ATOM 0 HA ALA A 30 40.895 1.830 6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 30 40.803 3.312 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.376 3.428 7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.163 4.712 7.455 1.00 0.00 H new ATOM 501 N ASN A 31 38.808 4.340 6.502 1.00 0.00 N ATOM 502 CA ASN A 31 37.402 4.693 6.398 1.00 0.00 C ATOM 503 C ASN A 31 37.273 6.075 5.755 1.00 0.00 C ATOM 504 O ASN A 31 36.259 6.750 5.923 1.00 0.00 O ATOM 505 CB ASN A 31 36.745 4.751 7.779 1.00 0.00 C ATOM 506 CG ASN A 31 37.410 3.767 8.744 1.00 0.00 C ATOM 507 OD1 ASN A 31 37.456 2.569 8.516 1.00 0.00 O ATOM 508 ND2 ASN A 31 37.920 4.337 9.832 1.00 0.00 N ATOM 0 H ASN A 31 39.418 5.102 6.800 1.00 0.00 H new ATOM 0 HA ASN A 31 36.907 3.932 5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 31 36.818 5.763 8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.684 4.519 7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 31 38.384 3.765 10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.847 5.346 9.961 1.00 0.00 H new ATOM 515 N VAL A 32 38.315 6.455 5.030 1.00 0.00 N ATOM 516 CA VAL A 32 38.331 7.744 4.361 1.00 0.00 C ATOM 517 C VAL A 32 37.952 8.838 5.361 1.00 0.00 C ATOM 518 O VAL A 32 37.536 9.927 4.967 1.00 0.00 O ATOM 519 CB VAL A 32 37.414 7.709 3.136 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.584 6.401 2.361 1.00 0.00 C ATOM 521 CG2 VAL A 32 35.954 7.922 3.539 1.00 0.00 C ATOM 0 H VAL A 32 39.154 5.892 4.891 1.00 0.00 H new ATOM 0 HA VAL A 32 39.332 7.972 3.995 1.00 0.00 H new ATOM 0 HB VAL A 32 37.703 8.528 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.921 6.402 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 32 38.617 6.308 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 32 37.335 5.560 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.323 7.893 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.648 7.134 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 32 35.849 8.891 4.027 1.00 0.00 H new ATOM 531 N LEU A 33 38.109 8.511 6.635 1.00 0.00 N ATOM 532 CA LEU A 33 37.789 9.452 7.694 1.00 0.00 C ATOM 533 C LEU A 33 36.272 9.646 7.757 1.00 0.00 C ATOM 534 O LEU A 33 35.650 9.372 8.781 1.00 0.00 O ATOM 535 CB LEU A 33 38.568 10.755 7.507 1.00 0.00 C ATOM 536 CG LEU A 33 39.024 11.454 8.790 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.534 11.305 8.988 1.00 0.00 C ATOM 538 CD2 LEU A 33 38.586 12.920 8.801 1.00 0.00 C ATOM 0 H LEU A 33 38.454 7.607 6.958 1.00 0.00 H new ATOM 0 HA LEU A 33 38.101 9.057 8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.448 10.545 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 37.947 11.448 6.940 1.00 0.00 H new ATOM 0 HG LEU A 33 38.539 10.967 9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 33 40.832 11.811 9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 33 40.789 10.248 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.058 11.751 8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.923 13.393 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 33 39.024 13.437 7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 33 37.499 12.975 8.740 1.00 0.00 H new ATOM 550 N ARG A 34 35.722 10.116 6.647 1.00 0.00 N ATOM 551 CA ARG A 34 34.290 10.350 6.562 1.00 0.00 C ATOM 552 C ARG A 34 33.526 9.040 6.767 1.00 0.00 C ATOM 553 O ARG A 34 32.404 9.045 7.271 1.00 0.00 O ATOM 554 CB ARG A 34 33.909 10.949 5.207 1.00 0.00 C ATOM 555 CG ARG A 34 33.419 12.390 5.363 1.00 0.00 C ATOM 556 CD ARG A 34 34.566 13.383 5.173 1.00 0.00 C ATOM 557 NE ARG A 34 34.470 14.020 3.841 1.00 0.00 N ATOM 558 CZ ARG A 34 33.755 15.137 3.586 1.00 0.00 C ATOM 559 NH1 ARG A 34 33.068 15.751 4.572 1.00 0.00 N ATOM 560 NH2 ARG A 34 33.739 15.619 2.357 1.00 0.00 N ATOM 0 H ARG A 34 36.242 10.341 5.799 1.00 0.00 H new ATOM 0 HA ARG A 34 34.022 11.058 7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.770 10.924 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.129 10.344 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.634 12.592 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 34 32.978 12.523 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 34 34.531 14.144 5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 34 35.522 12.869 5.271 1.00 0.00 H new ATOM 0 HE ARG A 34 34.975 13.589 3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 34 33.086 15.372 5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 34 32.531 16.594 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 34 34.261 15.149 1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 34 33.204 16.462 2.147 1.00 0.00 H new ATOM 573 N GLU A 35 34.164 7.951 6.365 1.00 0.00 N ATOM 574 CA GLU A 35 33.558 6.637 6.498 1.00 0.00 C ATOM 575 C GLU A 35 32.091 6.683 6.065 1.00 0.00 C ATOM 576 O GLU A 35 31.249 5.995 6.639 1.00 0.00 O ATOM 577 CB GLU A 35 33.691 6.114 7.929 1.00 0.00 C ATOM 578 CG GLU A 35 32.828 6.930 8.894 1.00 0.00 C ATOM 579 CD GLU A 35 32.784 6.277 10.277 1.00 0.00 C ATOM 580 OE1 GLU A 35 32.370 5.115 10.401 1.00 0.00 O ATOM 581 OE2 GLU A 35 33.202 7.022 11.244 1.00 0.00 O ATOM 0 H GLU A 35 35.094 7.951 5.947 1.00 0.00 H new ATOM 0 HA GLU A 35 34.089 5.946 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 35 33.393 5.066 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 35 34.734 6.160 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.227 7.941 8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 35 31.817 7.018 8.497 1.00 0.00 H new ATOM 589 N THR A 36 31.831 7.501 5.055 1.00 0.00 N ATOM 590 CA THR A 36 30.480 7.645 4.539 1.00 0.00 C ATOM 591 C THR A 36 29.985 6.318 3.962 1.00 0.00 C ATOM 592 O THR A 36 28.780 6.093 3.858 1.00 0.00 O ATOM 593 CB THR A 36 30.484 8.787 3.520 1.00 0.00 C ATOM 594 OG1 THR A 36 30.599 9.963 4.317 1.00 0.00 O ATOM 595 CG2 THR A 36 29.136 8.945 2.814 1.00 0.00 C ATOM 0 H THR A 36 32.532 8.070 4.581 1.00 0.00 H new ATOM 0 HA THR A 36 29.778 7.900 5.333 1.00 0.00 H new ATOM 0 HB THR A 36 31.263 8.610 2.779 1.00 0.00 H new ATOM 0 HG1 THR A 36 30.611 10.752 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 36 29.193 9.768 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 36 28.892 8.024 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 36 28.362 9.156 3.551 1.00 0.00 H new ATOM 603 N TRP A 37 30.940 5.473 3.602 1.00 0.00 N ATOM 604 CA TRP A 37 30.616 4.173 3.038 1.00 0.00 C ATOM 605 C TRP A 37 30.581 3.157 4.181 1.00 0.00 C ATOM 606 O TRP A 37 30.748 1.960 3.957 1.00 0.00 O ATOM 607 CB TRP A 37 31.602 3.795 1.931 1.00 0.00 C ATOM 608 CG TRP A 37 32.569 4.917 1.548 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.806 5.134 2.015 1.00 0.00 C ATOM 610 CD2 TRP A 37 32.327 5.972 0.594 1.00 0.00 C ATOM 611 NE1 TRP A 37 34.377 6.248 1.434 1.00 0.00 N ATOM 612 CE2 TRP A 37 33.449 6.774 0.542 1.00 0.00 C ATOM 613 CE3 TRP A 37 31.198 6.240 -0.199 1.00 0.00 C ATOM 614 CZ2 TRP A 37 33.551 7.897 -0.287 1.00 0.00 C ATOM 615 CZ3 TRP A 37 31.316 7.366 -1.023 1.00 0.00 C ATOM 616 CH2 TRP A 37 32.438 8.183 -1.087 1.00 0.00 C ATOM 0 H TRP A 37 31.938 5.663 3.690 1.00 0.00 H new ATOM 0 HA TRP A 37 29.636 4.193 2.561 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.178 2.927 2.253 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.041 3.495 1.046 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.295 4.515 2.753 1.00 0.00 H new ATOM 0 HE1 TRP A 37 35.309 6.618 1.624 1.00 0.00 H new ATOM 0 HE3 TRP A 37 30.310 5.626 -0.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.440 8.510 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 30.476 7.617 -1.653 1.00 0.00 H new ATOM 0 HH2 TRP A 37 32.452 9.035 -1.751 1.00 0.00 H new ATOM 627 N LEU A 38 30.364 3.673 5.382 1.00 0.00 N ATOM 628 CA LEU A 38 30.305 2.826 6.561 1.00 0.00 C ATOM 629 C LEU A 38 29.204 3.332 7.494 1.00 0.00 C ATOM 630 O LEU A 38 28.419 2.544 8.018 1.00 0.00 O ATOM 631 CB LEU A 38 31.681 2.736 7.225 1.00 0.00 C ATOM 632 CG LEU A 38 32.853 2.406 6.299 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.608 1.094 5.551 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.140 3.566 5.343 1.00 0.00 C ATOM 0 H LEU A 38 30.227 4.667 5.564 1.00 0.00 H new ATOM 0 HA LEU A 38 30.043 1.805 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.888 3.687 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.636 1.977 8.006 1.00 0.00 H new ATOM 0 HG LEU A 38 33.744 2.266 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.456 0.883 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.491 0.282 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.702 1.181 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.978 3.305 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.258 3.762 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.389 4.458 5.918 1.00 0.00 H new ATOM 646 N ILE A 39 29.181 4.645 7.672 1.00 0.00 N ATOM 647 CA ILE A 39 28.188 5.266 8.532 1.00 0.00 C ATOM 648 C ILE A 39 26.806 5.129 7.891 1.00 0.00 C ATOM 649 O ILE A 39 25.819 4.883 8.582 1.00 0.00 O ATOM 650 CB ILE A 39 28.580 6.712 8.846 1.00 0.00 C ATOM 651 CG1 ILE A 39 29.030 7.444 7.580 1.00 0.00 C ATOM 652 CG2 ILE A 39 29.641 6.766 9.947 1.00 0.00 C ATOM 653 CD1 ILE A 39 28.323 8.795 7.448 1.00 0.00 C ATOM 0 H ILE A 39 29.834 5.296 7.235 1.00 0.00 H new ATOM 0 HA ILE A 39 28.145 4.755 9.494 1.00 0.00 H new ATOM 0 HB ILE A 39 27.699 7.231 9.223 1.00 0.00 H new ATOM 0 HG12 ILE A 39 30.109 7.595 7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.816 6.830 6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 39 29.902 7.805 10.151 1.00 0.00 H new ATOM 0 HG22 ILE A 39 29.248 6.306 10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 39 30.530 6.226 9.622 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.660 9.295 6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.246 8.638 7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 39 28.559 9.415 8.313 1.00 0.00 H new ATOM 665 N TYR A 40 26.780 5.294 6.577 1.00 0.00 N ATOM 666 CA TYR A 40 25.535 5.191 5.834 1.00 0.00 C ATOM 667 C TYR A 40 24.613 4.139 6.453 1.00 0.00 C ATOM 668 O TYR A 40 25.075 3.096 6.912 1.00 0.00 O ATOM 669 CB TYR A 40 25.921 4.747 4.422 1.00 0.00 C ATOM 670 CG TYR A 40 26.234 3.254 4.304 1.00 0.00 C ATOM 671 CD1 TYR A 40 27.393 2.746 4.856 1.00 0.00 C ATOM 672 CD2 TYR A 40 25.358 2.415 3.645 1.00 0.00 C ATOM 673 CE1 TYR A 40 27.687 1.341 4.744 1.00 0.00 C ATOM 674 CE2 TYR A 40 25.653 1.010 3.533 1.00 0.00 C ATOM 675 CZ TYR A 40 26.803 0.542 4.088 1.00 0.00 C ATOM 676 OH TYR A 40 27.081 -0.785 3.983 1.00 0.00 O ATOM 0 H TYR A 40 27.601 5.498 6.007 1.00 0.00 H new ATOM 0 HA TYR A 40 25.004 6.143 5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.107 4.992 3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.792 5.317 4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 40 28.079 3.402 5.372 1.00 0.00 H new ATOM 0 HD2 TYR A 40 24.451 2.812 3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.590 0.930 5.172 1.00 0.00 H new ATOM 0 HE2 TYR A 40 24.976 0.343 3.020 1.00 0.00 H new ATOM 0 HH TYR A 40 26.361 -1.232 3.490 1.00 0.00 H new ATOM 686 N LYS A 41 23.325 4.449 6.445 1.00 0.00 N ATOM 687 CA LYS A 41 22.333 3.543 7.000 1.00 0.00 C ATOM 688 C LYS A 41 20.980 3.807 6.336 1.00 0.00 C ATOM 689 O LYS A 41 20.625 4.955 6.076 1.00 0.00 O ATOM 690 CB LYS A 41 22.302 3.653 8.526 1.00 0.00 C ATOM 691 CG LYS A 41 21.787 5.025 8.966 1.00 0.00 C ATOM 692 CD LYS A 41 22.941 6.015 9.136 1.00 0.00 C ATOM 693 CE LYS A 41 22.455 7.456 8.967 1.00 0.00 C ATOM 694 NZ LYS A 41 22.377 7.813 7.533 1.00 0.00 N ATOM 0 H LYS A 41 22.945 5.315 6.063 1.00 0.00 H new ATOM 0 HA LYS A 41 22.598 2.508 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.663 2.872 8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 41 23.303 3.491 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.082 5.407 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.244 4.929 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 23.389 5.892 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 41 23.719 5.801 8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.475 7.572 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 41 23.133 8.137 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.046 8.794 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 23.319 7.722 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.712 7.174 7.052 1.00 0.00 H new ATOM 707 N ASN A 42 20.261 2.723 6.082 1.00 0.00 N ATOM 708 CA ASN A 42 18.955 2.823 5.454 1.00 0.00 C ATOM 709 C ASN A 42 19.131 3.158 3.971 1.00 0.00 C ATOM 710 O ASN A 42 18.718 2.389 3.104 1.00 0.00 O ATOM 711 CB ASN A 42 18.119 3.933 6.093 1.00 0.00 C ATOM 712 CG ASN A 42 16.623 3.636 5.966 1.00 0.00 C ATOM 713 OD1 ASN A 42 16.091 3.448 4.884 1.00 0.00 O ATOM 714 ND2 ASN A 42 15.977 3.605 7.128 1.00 0.00 N ATOM 0 H ASN A 42 20.558 1.772 6.300 1.00 0.00 H new ATOM 0 HA ASN A 42 18.445 1.868 5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.385 4.034 7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.346 4.886 5.614 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.975 3.415 7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.483 3.771 7.998 1.00 0.00 H new ATOM 721 N THR A 43 19.743 4.307 3.726 1.00 0.00 N ATOM 722 CA THR A 43 19.979 4.753 2.363 1.00 0.00 C ATOM 723 C THR A 43 21.447 5.143 2.176 1.00 0.00 C ATOM 724 O THR A 43 22.217 5.153 3.135 1.00 0.00 O ATOM 725 CB THR A 43 19.004 5.893 2.064 1.00 0.00 C ATOM 726 OG1 THR A 43 19.475 6.972 2.868 1.00 0.00 O ATOM 727 CG2 THR A 43 17.597 5.617 2.599 1.00 0.00 C ATOM 0 H THR A 43 20.083 4.943 4.448 1.00 0.00 H new ATOM 0 HA THR A 43 19.795 3.952 1.647 1.00 0.00 H new ATOM 0 HB THR A 43 18.957 6.057 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 43 18.900 7.755 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.945 6.457 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 43 17.204 4.711 2.139 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.638 5.486 3.680 1.00 0.00 H new ATOM 735 N LYS A 44 21.789 5.455 0.935 1.00 0.00 N ATOM 736 CA LYS A 44 23.150 5.845 0.610 1.00 0.00 C ATOM 737 C LYS A 44 23.187 6.418 -0.808 1.00 0.00 C ATOM 738 O LYS A 44 23.910 5.915 -1.667 1.00 0.00 O ATOM 739 CB LYS A 44 24.109 4.672 0.824 1.00 0.00 C ATOM 740 CG LYS A 44 23.786 3.518 -0.129 1.00 0.00 C ATOM 741 CD LYS A 44 23.027 2.405 0.596 1.00 0.00 C ATOM 742 CE LYS A 44 21.604 2.267 0.051 1.00 0.00 C ATOM 743 NZ LYS A 44 20.937 1.084 0.639 1.00 0.00 N ATOM 0 H LYS A 44 21.147 5.446 0.142 1.00 0.00 H new ATOM 0 HA LYS A 44 23.491 6.633 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.135 5.003 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 44 24.042 4.326 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.189 3.887 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 44 24.709 3.119 -0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.559 1.461 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.992 2.620 1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.032 3.166 0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.631 2.174 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.972 1.005 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 21.475 0.227 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.894 1.188 1.673 1.00 0.00 H new ATOM 756 N LEU A 45 22.399 7.464 -1.010 1.00 0.00 N ATOM 757 CA LEU A 45 22.332 8.111 -2.309 1.00 0.00 C ATOM 758 C LEU A 45 23.102 9.433 -2.256 1.00 0.00 C ATOM 759 O LEU A 45 22.505 10.506 -2.327 1.00 0.00 O ATOM 760 CB LEU A 45 20.878 8.264 -2.757 1.00 0.00 C ATOM 761 CG LEU A 45 19.994 9.150 -1.876 1.00 0.00 C ATOM 762 CD1 LEU A 45 19.080 10.033 -2.728 1.00 0.00 C ATOM 763 CD2 LEU A 45 19.204 8.309 -0.871 1.00 0.00 C ATOM 0 H LEU A 45 21.801 7.879 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 45 22.811 7.492 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 45 20.871 8.670 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 45 20.428 7.272 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 45 20.640 9.815 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 45 18.463 10.652 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.687 10.673 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.439 9.404 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.584 8.963 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.568 7.604 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.896 7.761 -0.232 1.00 0.00 H new ATOM 775 N VAL A 46 24.415 9.311 -2.130 1.00 0.00 N ATOM 776 CA VAL A 46 25.272 10.483 -2.066 1.00 0.00 C ATOM 777 C VAL A 46 26.578 10.195 -2.810 1.00 0.00 C ATOM 778 O VAL A 46 27.461 9.520 -2.283 1.00 0.00 O ATOM 779 CB VAL A 46 25.492 10.891 -0.608 1.00 0.00 C ATOM 780 CG1 VAL A 46 26.538 12.003 -0.502 1.00 0.00 C ATOM 781 CG2 VAL A 46 24.176 11.312 0.048 1.00 0.00 C ATOM 0 H VAL A 46 24.906 8.419 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 46 24.797 11.331 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 46 25.871 10.022 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.676 12.275 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 46 27.485 11.653 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.200 12.875 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 46 24.361 11.597 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 46 23.755 12.160 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 46 23.473 10.479 0.021 1.00 0.00 H new ATOM 791 N LYS A 47 26.659 10.722 -4.023 1.00 0.00 N ATOM 792 CA LYS A 47 27.842 10.531 -4.845 1.00 0.00 C ATOM 793 C LYS A 47 27.981 11.707 -5.813 1.00 0.00 C ATOM 794 O LYS A 47 26.994 12.360 -6.148 1.00 0.00 O ATOM 795 CB LYS A 47 27.798 9.167 -5.537 1.00 0.00 C ATOM 796 CG LYS A 47 26.600 9.070 -6.484 1.00 0.00 C ATOM 797 CD LYS A 47 26.951 9.615 -7.869 1.00 0.00 C ATOM 798 CE LYS A 47 25.728 10.246 -8.537 1.00 0.00 C ATOM 799 NZ LYS A 47 25.381 11.526 -7.880 1.00 0.00 N ATOM 0 H LYS A 47 25.924 11.281 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 47 28.739 10.520 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.721 9.009 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 47 27.739 8.377 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 47 26.282 8.031 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 47 25.760 9.629 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 47 27.745 10.357 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.336 8.809 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.931 10.417 -9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.882 9.561 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.781 12.090 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 24.867 11.335 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.251 12.054 -7.667 1.00 0.00 H new ATOM 812 N LYS A 48 29.215 11.942 -6.235 1.00 0.00 N ATOM 813 CA LYS A 48 29.496 13.029 -7.157 1.00 0.00 C ATOM 814 C LYS A 48 28.686 12.826 -8.440 1.00 0.00 C ATOM 815 O LYS A 48 28.840 11.814 -9.122 1.00 0.00 O ATOM 816 CB LYS A 48 31.002 13.154 -7.395 1.00 0.00 C ATOM 817 CG LYS A 48 31.614 11.800 -7.758 1.00 0.00 C ATOM 818 CD LYS A 48 33.027 11.970 -8.320 1.00 0.00 C ATOM 819 CE LYS A 48 32.988 12.293 -9.815 1.00 0.00 C ATOM 820 NZ LYS A 48 34.342 12.628 -10.309 1.00 0.00 N ATOM 0 H LYS A 48 30.031 11.398 -5.955 1.00 0.00 H new ATOM 0 HA LYS A 48 29.184 13.982 -6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 48 31.189 13.868 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 48 31.484 13.547 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 48 31.644 11.162 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.985 11.298 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 48 33.541 12.769 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 48 33.599 11.057 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 48 32.594 11.440 -10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 48 32.312 13.129 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 34.297 12.844 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 34.704 13.456 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 34.978 11.819 -10.155 1.00 0.00 H new ATOM 833 N ILE A 49 27.840 13.804 -8.729 1.00 0.00 N ATOM 834 CA ILE A 49 27.006 13.745 -9.917 1.00 0.00 C ATOM 835 C ILE A 49 27.850 13.277 -11.105 1.00 0.00 C ATOM 836 O ILE A 49 29.078 13.293 -11.043 1.00 0.00 O ATOM 837 CB ILE A 49 26.309 15.087 -10.149 1.00 0.00 C ATOM 838 CG1 ILE A 49 24.887 15.070 -9.585 1.00 0.00 C ATOM 839 CG2 ILE A 49 26.333 15.468 -11.631 1.00 0.00 C ATOM 840 CD1 ILE A 49 24.034 14.006 -10.279 1.00 0.00 C ATOM 0 H ILE A 49 27.714 14.642 -8.161 1.00 0.00 H new ATOM 0 HA ILE A 49 26.207 13.015 -9.786 1.00 0.00 H new ATOM 0 HB ILE A 49 26.861 15.857 -9.609 1.00 0.00 H new ATOM 0 HG12 ILE A 49 24.919 14.873 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 49 24.429 16.050 -9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 49 25.831 16.426 -11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 49 27.366 15.548 -11.970 1.00 0.00 H new ATOM 0 HG23 ILE A 49 25.819 14.702 -12.212 1.00 0.00 H new ATOM 0 HD11 ILE A 49 23.028 14.015 -9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 49 23.984 14.220 -11.347 1.00 0.00 H new ATOM 0 HD13 ILE A 49 24.482 13.024 -10.126 1.00 0.00 H new ATOM 852 N ASP A 50 27.157 12.871 -12.159 1.00 0.00 N ATOM 853 CA ASP A 50 27.827 12.400 -13.358 1.00 0.00 C ATOM 854 C ASP A 50 28.615 11.129 -13.032 1.00 0.00 C ATOM 855 O ASP A 50 29.589 11.174 -12.283 1.00 0.00 O ATOM 856 CB ASP A 50 28.813 13.444 -13.886 1.00 0.00 C ATOM 857 CG ASP A 50 28.659 13.789 -15.368 1.00 0.00 C ATOM 858 OD1 ASP A 50 27.573 14.177 -15.824 1.00 0.00 O ATOM 859 OD2 ASP A 50 29.728 13.643 -16.076 1.00 0.00 O ATOM 0 H ASP A 50 26.138 12.859 -12.207 1.00 0.00 H new ATOM 0 HA ASP A 50 27.066 12.208 -14.114 1.00 0.00 H new ATOM 0 HB2 ASP A 50 28.699 14.357 -13.302 1.00 0.00 H new ATOM 0 HB3 ASP A 50 29.827 13.082 -13.716 1.00 0.00 H new ATOM 865 N HIS A 51 28.163 10.026 -13.610 1.00 0.00 N ATOM 866 CA HIS A 51 28.812 8.745 -13.389 1.00 0.00 C ATOM 867 C HIS A 51 28.242 7.707 -14.357 1.00 0.00 C ATOM 868 O HIS A 51 28.985 6.906 -14.924 1.00 0.00 O ATOM 869 CB HIS A 51 28.692 8.320 -11.925 1.00 0.00 C ATOM 870 CG HIS A 51 27.269 8.216 -11.431 1.00 0.00 C ATOM 871 ND1 HIS A 51 26.793 7.114 -10.742 1.00 0.00 N ATOM 872 CD2 HIS A 51 26.225 9.087 -11.531 1.00 0.00 C ATOM 873 CE1 HIS A 51 25.519 7.323 -10.447 1.00 0.00 C ATOM 874 NE2 HIS A 51 25.168 8.546 -10.938 1.00 0.00 N ATOM 0 H HIS A 51 27.355 9.993 -14.231 1.00 0.00 H new ATOM 0 HA HIS A 51 29.879 8.834 -13.594 1.00 0.00 H new ATOM 0 HB2 HIS A 51 29.182 7.355 -11.796 1.00 0.00 H new ATOM 0 HB3 HIS A 51 29.230 9.036 -11.304 1.00 0.00 H new ATOM 0 HD2 HIS A 51 26.253 10.054 -12.012 1.00 0.00 H new ATOM 0 HE1 HIS A 51 24.872 6.644 -9.912 1.00 0.00 H new ATOM 0 HE2 HIS A 51 24.245 8.974 -10.862 1.00 0.00 H new ATOM 882 N ALA A 52 26.927 7.754 -14.518 1.00 0.00 N ATOM 883 CA ALA A 52 26.249 6.827 -15.407 1.00 0.00 C ATOM 884 C ALA A 52 25.608 7.607 -16.557 1.00 0.00 C ATOM 885 O ALA A 52 25.721 8.830 -16.621 1.00 0.00 O ATOM 886 CB ALA A 52 25.225 6.013 -14.613 1.00 0.00 C ATOM 0 H ALA A 52 26.314 8.420 -14.048 1.00 0.00 H new ATOM 0 HA ALA A 52 26.959 6.123 -15.841 1.00 0.00 H new ATOM 0 HB1 ALA A 52 24.716 5.317 -15.281 1.00 0.00 H new ATOM 0 HB2 ALA A 52 25.734 5.455 -13.827 1.00 0.00 H new ATOM 0 HB3 ALA A 52 24.494 6.686 -14.165 1.00 0.00 H new ATOM 892 N LYS A 53 24.949 6.867 -17.437 1.00 0.00 N ATOM 893 CA LYS A 53 24.290 7.474 -18.581 1.00 0.00 C ATOM 894 C LYS A 53 23.487 8.690 -18.115 1.00 0.00 C ATOM 895 O LYS A 53 23.782 9.819 -18.503 1.00 0.00 O ATOM 896 CB LYS A 53 23.454 6.436 -19.331 1.00 0.00 C ATOM 897 CG LYS A 53 24.350 5.394 -20.005 1.00 0.00 C ATOM 898 CD LYS A 53 24.748 5.841 -21.413 1.00 0.00 C ATOM 899 CE LYS A 53 24.218 4.868 -22.468 1.00 0.00 C ATOM 900 NZ LYS A 53 25.241 4.627 -23.510 1.00 0.00 N ATOM 0 H LYS A 53 24.857 5.853 -17.381 1.00 0.00 H new ATOM 0 HA LYS A 53 25.027 7.834 -19.299 1.00 0.00 H new ATOM 0 HB2 LYS A 53 22.774 5.942 -18.638 1.00 0.00 H new ATOM 0 HB3 LYS A 53 22.839 6.932 -20.082 1.00 0.00 H new ATOM 0 HG2 LYS A 53 25.245 5.235 -19.403 1.00 0.00 H new ATOM 0 HG3 LYS A 53 23.827 4.439 -20.057 1.00 0.00 H new ATOM 0 HD2 LYS A 53 24.357 6.840 -21.605 1.00 0.00 H new ATOM 0 HD3 LYS A 53 25.834 5.905 -21.485 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.942 3.925 -21.996 1.00 0.00 H new ATOM 0 HE3 LYS A 53 23.314 5.273 -22.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.866 3.965 -24.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.485 5.526 -23.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.093 4.220 -23.073 1.00 0.00 H new ATOM 913 N VAL A 54 22.487 8.418 -17.289 1.00 0.00 N ATOM 914 CA VAL A 54 21.638 9.475 -16.767 1.00 0.00 C ATOM 915 C VAL A 54 20.839 10.096 -17.914 1.00 0.00 C ATOM 916 O VAL A 54 21.368 10.901 -18.680 1.00 0.00 O ATOM 917 CB VAL A 54 22.485 10.498 -16.006 1.00 0.00 C ATOM 918 CG1 VAL A 54 21.611 11.610 -15.423 1.00 0.00 C ATOM 919 CG2 VAL A 54 23.312 9.820 -14.912 1.00 0.00 C ATOM 0 H VAL A 54 22.246 7.480 -16.968 1.00 0.00 H new ATOM 0 HA VAL A 54 20.920 9.071 -16.053 1.00 0.00 H new ATOM 0 HB VAL A 54 23.176 10.953 -16.715 1.00 0.00 H new ATOM 0 HG11 VAL A 54 22.238 12.323 -14.888 1.00 0.00 H new ATOM 0 HG12 VAL A 54 21.087 12.122 -16.230 1.00 0.00 H new ATOM 0 HG13 VAL A 54 20.884 11.178 -14.735 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.904 10.569 -14.387 1.00 0.00 H new ATOM 0 HG22 VAL A 54 22.645 9.325 -14.206 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.976 9.083 -15.362 1.00 0.00 H new ATOM 929 N ARG A 55 19.578 9.699 -17.997 1.00 0.00 N ATOM 930 CA ARG A 55 18.701 10.207 -19.038 1.00 0.00 C ATOM 931 C ARG A 55 17.387 10.703 -18.430 1.00 0.00 C ATOM 932 O ARG A 55 17.360 11.154 -17.286 1.00 0.00 O ATOM 933 CB ARG A 55 18.397 9.126 -20.078 1.00 0.00 C ATOM 934 CG ARG A 55 18.293 9.728 -21.480 1.00 0.00 C ATOM 935 CD ARG A 55 19.672 9.836 -22.134 1.00 0.00 C ATOM 936 NE ARG A 55 19.736 11.048 -22.982 1.00 0.00 N ATOM 937 CZ ARG A 55 19.349 11.089 -24.274 1.00 0.00 C ATOM 938 NH1 ARG A 55 18.865 9.984 -24.880 1.00 0.00 N ATOM 939 NH2 ARG A 55 19.451 12.226 -24.937 1.00 0.00 N ATOM 0 H ARG A 55 19.143 9.031 -17.360 1.00 0.00 H new ATOM 0 HA ARG A 55 19.214 11.034 -19.529 1.00 0.00 H new ATOM 0 HB2 ARG A 55 19.181 8.369 -20.061 1.00 0.00 H new ATOM 0 HB3 ARG A 55 17.463 8.624 -19.824 1.00 0.00 H new ATOM 0 HG2 ARG A 55 17.641 9.110 -22.098 1.00 0.00 H new ATOM 0 HG3 ARG A 55 17.835 10.716 -21.423 1.00 0.00 H new ATOM 0 HD2 ARG A 55 20.445 9.877 -21.367 1.00 0.00 H new ATOM 0 HD3 ARG A 55 19.868 8.949 -22.737 1.00 0.00 H new ATOM 0 HE ARG A 55 20.095 11.906 -22.563 1.00 0.00 H new ATOM 0 HH11 ARG A 55 18.790 9.109 -24.361 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.575 10.024 -25.857 1.00 0.00 H new ATOM 0 HH21 ARG A 55 19.818 13.056 -24.472 1.00 0.00 H new ATOM 0 HH22 ARG A 55 19.163 12.274 -25.914 1.00 0.00 H new ATOM 952 N LYS A 56 16.330 10.603 -19.223 1.00 0.00 N ATOM 953 CA LYS A 56 15.017 11.036 -18.777 1.00 0.00 C ATOM 954 C LYS A 56 14.809 10.605 -17.324 1.00 0.00 C ATOM 955 O LYS A 56 14.894 9.420 -17.006 1.00 0.00 O ATOM 956 CB LYS A 56 13.933 10.528 -19.730 1.00 0.00 C ATOM 957 CG LYS A 56 14.118 11.114 -21.132 1.00 0.00 C ATOM 958 CD LYS A 56 12.986 10.674 -22.063 1.00 0.00 C ATOM 959 CE LYS A 56 13.392 9.441 -22.874 1.00 0.00 C ATOM 960 NZ LYS A 56 13.338 9.733 -24.324 1.00 0.00 N ATOM 0 H LYS A 56 16.356 10.228 -20.171 1.00 0.00 H new ATOM 0 HA LYS A 56 14.946 12.123 -18.801 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.968 9.440 -19.779 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.950 10.799 -19.346 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.145 12.202 -21.075 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.076 10.793 -21.541 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.094 10.451 -21.477 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.728 11.490 -22.739 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.400 9.132 -22.597 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.728 8.609 -22.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.616 8.886 -24.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.370 10.006 -24.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.990 10.512 -24.546 1.00 0.00 H new ATOM 973 N HIS A 57 14.540 11.591 -16.480 1.00 0.00 N ATOM 974 CA HIS A 57 14.319 11.329 -15.068 1.00 0.00 C ATOM 975 C HIS A 57 13.891 12.620 -14.367 1.00 0.00 C ATOM 976 O HIS A 57 14.716 13.497 -14.118 1.00 0.00 O ATOM 977 CB HIS A 57 15.556 10.691 -14.434 1.00 0.00 C ATOM 978 CG HIS A 57 15.246 9.557 -13.487 1.00 0.00 C ATOM 979 ND1 HIS A 57 16.226 8.749 -12.937 1.00 0.00 N ATOM 980 CD2 HIS A 57 14.056 9.104 -12.998 1.00 0.00 C ATOM 981 CE1 HIS A 57 15.641 7.854 -12.155 1.00 0.00 C ATOM 982 NE2 HIS A 57 14.296 8.076 -12.194 1.00 0.00 N ATOM 0 H HIS A 57 14.470 12.573 -16.747 1.00 0.00 H new ATOM 0 HA HIS A 57 13.510 10.608 -14.950 1.00 0.00 H new ATOM 0 HB2 HIS A 57 16.208 10.321 -15.226 1.00 0.00 H new ATOM 0 HB3 HIS A 57 16.112 11.458 -13.896 1.00 0.00 H new ATOM 0 HD2 HIS A 57 13.083 9.513 -13.227 1.00 0.00 H new ATOM 0 HE1 HIS A 57 16.141 7.084 -11.587 1.00 0.00 H new ATOM 0 HE2 HIS A 57 13.591 7.540 -11.688 1.00 0.00 H new ATOM 990 N GLN A 58 12.602 12.694 -14.069 1.00 0.00 N ATOM 991 CA GLN A 58 12.055 13.863 -13.402 1.00 0.00 C ATOM 992 C GLN A 58 12.003 15.050 -14.367 1.00 0.00 C ATOM 993 O GLN A 58 10.933 15.597 -14.627 1.00 0.00 O ATOM 994 CB GLN A 58 12.864 14.209 -12.150 1.00 0.00 C ATOM 995 CG GLN A 58 13.066 12.974 -11.270 1.00 0.00 C ATOM 996 CD GLN A 58 12.328 13.124 -9.938 1.00 0.00 C ATOM 997 OE1 GLN A 58 12.898 13.478 -8.919 1.00 0.00 O ATOM 998 NE2 GLN A 58 11.031 12.836 -10.003 1.00 0.00 N ATOM 0 H GLN A 58 11.921 11.964 -14.277 1.00 0.00 H new ATOM 0 HA GLN A 58 11.038 13.633 -13.085 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.833 14.616 -12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.349 14.984 -11.583 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.705 12.088 -11.792 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.130 12.824 -11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.617 12.545 -10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.451 12.906 -9.167 1.00 0.00 H new ATOM 1007 N ARG A 59 13.174 15.412 -14.871 1.00 0.00 N ATOM 1008 CA ARG A 59 13.275 16.524 -15.801 1.00 0.00 C ATOM 1009 C ARG A 59 14.035 16.096 -17.059 1.00 0.00 C ATOM 1010 O ARG A 59 15.173 15.638 -16.975 1.00 0.00 O ATOM 1011 CB ARG A 59 13.993 17.714 -15.161 1.00 0.00 C ATOM 1012 CG ARG A 59 15.380 17.311 -14.656 1.00 0.00 C ATOM 1013 CD ARG A 59 16.472 18.150 -15.324 1.00 0.00 C ATOM 1014 NE ARG A 59 16.739 19.364 -14.522 1.00 0.00 N ATOM 1015 CZ ARG A 59 17.579 19.404 -13.466 1.00 0.00 C ATOM 1016 NH1 ARG A 59 18.241 18.294 -13.075 1.00 0.00 N ATOM 1017 NH2 ARG A 59 17.743 20.544 -12.821 1.00 0.00 N ATOM 0 H ARG A 59 14.060 14.956 -14.653 1.00 0.00 H new ATOM 0 HA ARG A 59 12.262 16.826 -16.068 1.00 0.00 H new ATOM 0 HB2 ARG A 59 14.087 18.520 -15.888 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.398 18.099 -14.333 1.00 0.00 H new ATOM 0 HG2 ARG A 59 15.429 17.439 -13.575 1.00 0.00 H new ATOM 0 HG3 ARG A 59 15.552 16.254 -14.860 1.00 0.00 H new ATOM 0 HD2 ARG A 59 17.384 17.562 -15.423 1.00 0.00 H new ATOM 0 HD3 ARG A 59 16.162 18.430 -16.331 1.00 0.00 H new ATOM 0 HE ARG A 59 16.258 20.225 -14.783 1.00 0.00 H new ATOM 0 HH11 ARG A 59 18.108 17.417 -13.579 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.874 18.333 -12.276 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.239 21.378 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.374 20.591 -12.021 1.00 0.00 H new ATOM 1030 N LYS A 60 13.374 16.261 -18.195 1.00 0.00 N ATOM 1031 CA LYS A 60 13.972 15.897 -19.468 1.00 0.00 C ATOM 1032 C LYS A 60 15.414 16.406 -19.513 1.00 0.00 C ATOM 1033 O LYS A 60 15.807 17.240 -18.700 1.00 0.00 O ATOM 1034 CB LYS A 60 13.108 16.395 -20.628 1.00 0.00 C ATOM 1035 CG LYS A 60 11.714 15.765 -20.584 1.00 0.00 C ATOM 1036 CD LYS A 60 11.805 14.238 -20.538 1.00 0.00 C ATOM 1037 CE LYS A 60 10.690 13.598 -21.367 1.00 0.00 C ATOM 1038 NZ LYS A 60 9.379 13.786 -20.706 1.00 0.00 N ATOM 0 H LYS A 60 12.430 16.642 -18.260 1.00 0.00 H new ATOM 0 HA LYS A 60 14.012 14.813 -19.574 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.022 17.481 -20.582 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.590 16.153 -21.575 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.174 16.127 -19.709 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.144 16.073 -21.460 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.775 13.916 -20.917 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.737 13.897 -19.505 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.669 14.041 -22.363 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.890 12.534 -21.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.633 13.346 -21.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.398 13.342 -19.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.184 14.802 -20.605 1.00 0.00 H new ATOM 1051 N PHE A 61 16.163 15.881 -20.472 1.00 0.00 N ATOM 1052 CA PHE A 61 17.554 16.272 -20.633 1.00 0.00 C ATOM 1053 C PHE A 61 17.794 16.884 -22.015 1.00 0.00 C ATOM 1054 O PHE A 61 16.922 16.832 -22.881 1.00 0.00 O ATOM 1055 CB PHE A 61 18.394 15.001 -20.498 1.00 0.00 C ATOM 1056 CG PHE A 61 19.333 15.002 -19.290 1.00 0.00 C ATOM 1057 CD1 PHE A 61 20.575 15.546 -19.395 1.00 0.00 C ATOM 1058 CD2 PHE A 61 18.926 14.457 -18.112 1.00 0.00 C ATOM 1059 CE1 PHE A 61 21.447 15.547 -18.274 1.00 0.00 C ATOM 1060 CE2 PHE A 61 19.798 14.458 -16.991 1.00 0.00 C ATOM 1061 CZ PHE A 61 21.040 15.003 -17.095 1.00 0.00 C ATOM 0 H PHE A 61 15.834 15.189 -21.145 1.00 0.00 H new ATOM 0 HA PHE A 61 17.821 17.017 -19.884 1.00 0.00 H new ATOM 0 HB2 PHE A 61 17.726 14.142 -20.426 1.00 0.00 H new ATOM 0 HB3 PHE A 61 18.985 14.870 -21.405 1.00 0.00 H new ATOM 0 HD1 PHE A 61 20.898 15.977 -20.331 1.00 0.00 H new ATOM 0 HD2 PHE A 61 17.940 14.024 -18.029 1.00 0.00 H new ATOM 0 HE1 PHE A 61 22.433 15.980 -18.357 1.00 0.00 H new ATOM 0 HE2 PHE A 61 19.475 14.026 -16.055 1.00 0.00 H new ATOM 0 HZ PHE A 61 21.703 15.004 -16.242 1.00 0.00 H new ATOM 1071 N LEU A 62 18.982 17.449 -22.178 1.00 0.00 N ATOM 1072 CA LEU A 62 19.348 18.070 -23.440 1.00 0.00 C ATOM 1073 C LEU A 62 20.781 17.673 -23.801 1.00 0.00 C ATOM 1074 O LEU A 62 21.482 17.063 -22.995 1.00 0.00 O ATOM 1075 CB LEU A 62 19.126 19.582 -23.377 1.00 0.00 C ATOM 1076 CG LEU A 62 20.212 20.390 -22.664 1.00 0.00 C ATOM 1077 CD1 LEU A 62 20.490 21.703 -23.399 1.00 0.00 C ATOM 1078 CD2 LEU A 62 19.849 20.621 -21.196 1.00 0.00 C ATOM 0 H LEU A 62 19.703 17.490 -21.458 1.00 0.00 H new ATOM 0 HA LEU A 62 18.705 17.710 -24.243 1.00 0.00 H new ATOM 0 HB2 LEU A 62 19.031 19.958 -24.396 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.175 19.769 -22.878 1.00 0.00 H new ATOM 0 HG LEU A 62 21.135 19.810 -22.680 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.266 22.258 -22.871 1.00 0.00 H new ATOM 0 HD12 LEU A 62 20.824 21.488 -24.414 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.578 22.299 -23.436 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.638 21.198 -20.713 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.909 21.170 -21.136 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.741 19.660 -20.692 1.00 0.00 H new ATOM 1090 N GLN A 63 21.173 18.035 -25.014 1.00 0.00 N ATOM 1091 CA GLN A 63 22.510 17.725 -25.492 1.00 0.00 C ATOM 1092 C GLN A 63 23.504 18.786 -25.015 1.00 0.00 C ATOM 1093 O GLN A 63 23.186 19.593 -24.143 1.00 0.00 O ATOM 1094 CB GLN A 63 22.531 17.599 -27.016 1.00 0.00 C ATOM 1095 CG GLN A 63 22.220 18.941 -27.682 1.00 0.00 C ATOM 1096 CD GLN A 63 22.743 18.974 -29.119 1.00 0.00 C ATOM 1097 OE1 GLN A 63 23.460 18.095 -29.567 1.00 0.00 O ATOM 1098 NE2 GLN A 63 22.346 20.036 -29.815 1.00 0.00 N ATOM 0 H GLN A 63 20.588 18.540 -25.680 1.00 0.00 H new ATOM 0 HA GLN A 63 22.810 16.763 -25.077 1.00 0.00 H new ATOM 0 HB2 GLN A 63 23.509 17.246 -27.342 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.801 16.854 -27.333 1.00 0.00 H new ATOM 0 HG2 GLN A 63 21.143 19.112 -27.679 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.673 19.750 -27.108 1.00 0.00 H new ATOM 0 HE21 GLN A 63 21.745 20.736 -29.379 1.00 0.00 H new ATOM 0 HE22 GLN A 63 22.642 20.150 -30.784 1.00 0.00 H new ATOM 1107 N ALA A 64 24.687 18.751 -25.609 1.00 0.00 N ATOM 1108 CA ALA A 64 25.730 19.700 -25.256 1.00 0.00 C ATOM 1109 C ALA A 64 26.252 19.379 -23.855 1.00 0.00 C ATOM 1110 O ALA A 64 26.903 20.212 -23.225 1.00 0.00 O ATOM 1111 CB ALA A 64 25.182 21.124 -25.363 1.00 0.00 C ATOM 0 H ALA A 64 24.947 18.081 -26.332 1.00 0.00 H new ATOM 0 HA ALA A 64 26.570 19.622 -25.946 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.964 21.836 -25.098 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.852 21.311 -26.385 1.00 0.00 H new ATOM 0 HB3 ALA A 64 24.339 21.242 -24.682 1.00 0.00 H new ATOM 1117 N ILE A 65 25.947 18.170 -23.406 1.00 0.00 N ATOM 1118 CA ILE A 65 26.377 17.730 -22.090 1.00 0.00 C ATOM 1119 C ILE A 65 27.601 16.824 -22.236 1.00 0.00 C ATOM 1120 O ILE A 65 28.686 17.291 -22.580 1.00 0.00 O ATOM 1121 CB ILE A 65 25.216 17.077 -21.337 1.00 0.00 C ATOM 1122 CG1 ILE A 65 24.432 16.132 -22.250 1.00 0.00 C ATOM 1123 CG2 ILE A 65 24.314 18.135 -20.698 1.00 0.00 C ATOM 1124 CD1 ILE A 65 23.831 14.973 -21.453 1.00 0.00 C ATOM 0 H ILE A 65 25.407 17.482 -23.931 1.00 0.00 H new ATOM 0 HA ILE A 65 26.680 18.583 -21.483 1.00 0.00 H new ATOM 0 HB ILE A 65 25.629 16.474 -20.529 1.00 0.00 H new ATOM 0 HG12 ILE A 65 23.637 16.683 -22.753 1.00 0.00 H new ATOM 0 HG13 ILE A 65 25.090 15.742 -23.026 1.00 0.00 H new ATOM 0 HG21 ILE A 65 23.497 17.645 -20.169 1.00 0.00 H new ATOM 0 HG22 ILE A 65 24.895 18.732 -19.995 1.00 0.00 H new ATOM 0 HG23 ILE A 65 23.907 18.783 -21.474 1.00 0.00 H new ATOM 0 HD11 ILE A 65 23.279 14.316 -22.126 1.00 0.00 H new ATOM 0 HD12 ILE A 65 24.630 14.410 -20.971 1.00 0.00 H new ATOM 0 HD13 ILE A 65 23.155 15.366 -20.694 1.00 0.00 H new ATOM 1136 N HIS A 66 27.387 15.544 -21.966 1.00 0.00 N ATOM 1137 CA HIS A 66 28.459 14.569 -22.063 1.00 0.00 C ATOM 1138 C HIS A 66 27.987 13.367 -22.883 1.00 0.00 C ATOM 1139 O HIS A 66 28.107 12.224 -22.442 1.00 0.00 O ATOM 1140 CB HIS A 66 28.964 14.177 -20.673 1.00 0.00 C ATOM 1141 CG HIS A 66 30.066 13.144 -20.688 1.00 0.00 C ATOM 1142 ND1 HIS A 66 31.359 13.434 -21.086 1.00 0.00 N ATOM 1143 CD2 HIS A 66 30.053 11.823 -20.349 1.00 0.00 C ATOM 1144 CE1 HIS A 66 32.084 12.329 -20.988 1.00 0.00 C ATOM 1145 NE2 HIS A 66 31.273 11.332 -20.532 1.00 0.00 N ATOM 0 H HIS A 66 26.486 15.160 -21.680 1.00 0.00 H new ATOM 0 HA HIS A 66 29.309 15.009 -22.584 1.00 0.00 H new ATOM 0 HB2 HIS A 66 29.325 15.071 -20.163 1.00 0.00 H new ATOM 0 HB3 HIS A 66 28.128 13.793 -20.089 1.00 0.00 H new ATOM 0 HD2 HIS A 66 29.196 11.270 -19.992 1.00 0.00 H new ATOM 0 HE1 HIS A 66 33.133 12.235 -21.227 1.00 0.00 H new ATOM 0 HE2 HIS A 66 31.557 10.368 -20.360 1.00 0.00 H new ATOM 1153 N GLN A 67 27.461 13.665 -24.061 1.00 0.00 N ATOM 1154 CA GLN A 67 26.970 12.623 -24.947 1.00 0.00 C ATOM 1155 C GLN A 67 27.313 12.956 -26.401 1.00 0.00 C ATOM 1156 O GLN A 67 27.138 14.092 -26.838 1.00 0.00 O ATOM 1157 CB GLN A 67 25.464 12.419 -24.773 1.00 0.00 C ATOM 1158 CG GLN A 67 25.172 11.413 -23.657 1.00 0.00 C ATOM 1159 CD GLN A 67 24.164 10.359 -24.118 1.00 0.00 C ATOM 1160 OE1 GLN A 67 23.808 10.271 -25.282 1.00 0.00 O ATOM 1161 NE2 GLN A 67 23.724 9.568 -23.144 1.00 0.00 N ATOM 0 H GLN A 67 27.364 14.614 -24.423 1.00 0.00 H new ATOM 0 HA GLN A 67 27.463 11.688 -24.683 1.00 0.00 H new ATOM 0 HB2 GLN A 67 24.989 13.372 -24.542 1.00 0.00 H new ATOM 0 HB3 GLN A 67 25.031 12.065 -25.709 1.00 0.00 H new ATOM 0 HG2 GLN A 67 26.098 10.926 -23.350 1.00 0.00 H new ATOM 0 HG3 GLN A 67 24.782 11.936 -22.784 1.00 0.00 H new ATOM 0 HE21 GLN A 67 24.063 9.696 -22.191 1.00 0.00 H new ATOM 0 HE22 GLN A 67 23.047 8.833 -23.350 1.00 0.00 H new ATOM 1170 N LEU A 68 27.796 11.945 -27.108 1.00 0.00 N ATOM 1171 CA LEU A 68 28.165 12.117 -28.503 1.00 0.00 C ATOM 1172 C LEU A 68 29.388 13.032 -28.593 1.00 0.00 C ATOM 1173 O LEU A 68 29.873 13.528 -27.578 1.00 0.00 O ATOM 1174 CB LEU A 68 26.967 12.609 -29.317 1.00 0.00 C ATOM 1175 CG LEU A 68 25.708 11.743 -29.248 1.00 0.00 C ATOM 1176 CD1 LEU A 68 24.470 12.598 -28.971 1.00 0.00 C ATOM 1177 CD2 LEU A 68 25.551 10.901 -30.516 1.00 0.00 C ATOM 0 H LEU A 68 27.940 11.004 -26.741 1.00 0.00 H new ATOM 0 HA LEU A 68 28.449 11.161 -28.943 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.712 13.614 -28.980 1.00 0.00 H new ATOM 0 HB3 LEU A 68 27.271 12.691 -30.361 1.00 0.00 H new ATOM 0 HG LEU A 68 25.815 11.050 -28.413 1.00 0.00 H new ATOM 0 HD11 LEU A 68 23.589 11.958 -28.927 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.591 13.116 -28.019 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.347 13.330 -29.769 1.00 0.00 H new ATOM 0 HD21 LEU A 68 24.648 10.295 -30.441 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.476 11.558 -31.382 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.417 10.249 -30.630 1.00 0.00 H new ATOM 1189 N ARG A 69 29.852 13.227 -29.819 1.00 0.00 N ATOM 1190 CA ARG A 69 31.009 14.074 -30.055 1.00 0.00 C ATOM 1191 C ARG A 69 32.259 13.450 -29.433 1.00 0.00 C ATOM 1192 O ARG A 69 32.672 13.835 -28.340 1.00 0.00 O ATOM 1193 CB ARG A 69 30.799 15.471 -29.467 1.00 0.00 C ATOM 1194 CG ARG A 69 30.350 16.458 -30.547 1.00 0.00 C ATOM 1195 CD ARG A 69 31.282 17.670 -30.602 1.00 0.00 C ATOM 1196 NE ARG A 69 32.086 17.635 -31.844 1.00 0.00 N ATOM 1197 CZ ARG A 69 31.643 18.063 -33.045 1.00 0.00 C ATOM 1198 NH1 ARG A 69 30.396 18.564 -33.176 1.00 0.00 N ATOM 1199 NH2 ARG A 69 32.447 17.984 -34.089 1.00 0.00 N ATOM 0 H ARG A 69 29.448 12.813 -30.659 1.00 0.00 H new ATOM 0 HA ARG A 69 31.140 14.162 -31.133 1.00 0.00 H new ATOM 0 HB2 ARG A 69 30.051 15.428 -28.675 1.00 0.00 H new ATOM 0 HB3 ARG A 69 31.725 15.821 -29.012 1.00 0.00 H new ATOM 0 HG2 ARG A 69 30.337 15.961 -31.517 1.00 0.00 H new ATOM 0 HG3 ARG A 69 29.331 16.787 -30.343 1.00 0.00 H new ATOM 0 HD2 ARG A 69 30.698 18.590 -30.563 1.00 0.00 H new ATOM 0 HD3 ARG A 69 31.940 17.673 -29.733 1.00 0.00 H new ATOM 0 HE ARG A 69 33.035 17.264 -31.789 1.00 0.00 H new ATOM 0 HH11 ARG A 69 29.781 18.621 -32.364 1.00 0.00 H new ATOM 0 HH12 ARG A 69 30.069 18.885 -34.087 1.00 0.00 H new ATOM 0 HH21 ARG A 69 33.387 17.604 -33.981 1.00 0.00 H new ATOM 0 HH22 ARG A 69 32.128 18.303 -35.004 1.00 0.00 H new ATOM 1212 N SER A 70 32.827 12.495 -30.156 1.00 0.00 N ATOM 1213 CA SER A 70 34.022 11.813 -29.689 1.00 0.00 C ATOM 1214 C SER A 70 34.566 10.898 -30.787 1.00 0.00 C ATOM 1215 O SER A 70 34.330 9.691 -30.768 1.00 0.00 O ATOM 1216 CB SER A 70 33.736 11.008 -28.420 1.00 0.00 C ATOM 1217 OG SER A 70 32.544 10.236 -28.535 1.00 0.00 O ATOM 0 H SER A 70 32.481 12.178 -31.062 1.00 0.00 H new ATOM 0 HA SER A 70 34.773 12.566 -29.448 1.00 0.00 H new ATOM 0 HB2 SER A 70 34.577 10.347 -28.213 1.00 0.00 H new ATOM 0 HB3 SER A 70 33.648 11.687 -27.572 1.00 0.00 H new ATOM 0 HG SER A 70 32.600 9.665 -29.329 1.00 0.00 H new ATOM 1223 N VAL A 71 35.284 11.508 -31.720 1.00 0.00 N ATOM 1224 CA VAL A 71 35.863 10.762 -32.824 1.00 0.00 C ATOM 1225 C VAL A 71 37.359 10.566 -32.573 1.00 0.00 C ATOM 1226 O VAL A 71 38.016 9.802 -33.278 1.00 0.00 O ATOM 1227 CB VAL A 71 35.567 11.473 -34.147 1.00 0.00 C ATOM 1228 CG1 VAL A 71 36.019 10.625 -35.338 1.00 0.00 C ATOM 1229 CG2 VAL A 71 34.083 11.829 -34.258 1.00 0.00 C ATOM 0 H VAL A 71 35.477 12.509 -31.733 1.00 0.00 H new ATOM 0 HA VAL A 71 35.413 9.772 -32.894 1.00 0.00 H new ATOM 0 HB VAL A 71 36.136 12.403 -34.163 1.00 0.00 H new ATOM 0 HG11 VAL A 71 35.797 11.153 -36.266 1.00 0.00 H new ATOM 0 HG12 VAL A 71 37.092 10.445 -35.270 1.00 0.00 H new ATOM 0 HG13 VAL A 71 35.490 9.672 -35.328 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.900 12.333 -35.207 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.486 10.918 -34.210 1.00 0.00 H new ATOM 0 HG23 VAL A 71 33.805 12.489 -33.437 1.00 0.00 H new ATOM 1239 N LYS A 72 37.855 11.270 -31.565 1.00 0.00 N ATOM 1240 CA LYS A 72 39.261 11.182 -31.212 1.00 0.00 C ATOM 1241 C LYS A 72 39.471 11.782 -29.820 1.00 0.00 C ATOM 1242 O LYS A 72 39.233 12.970 -29.609 1.00 0.00 O ATOM 1243 CB LYS A 72 40.127 11.827 -32.296 1.00 0.00 C ATOM 1244 CG LYS A 72 40.428 10.834 -33.420 1.00 0.00 C ATOM 1245 CD LYS A 72 41.851 11.021 -33.951 1.00 0.00 C ATOM 1246 CE LYS A 72 42.779 9.922 -33.430 1.00 0.00 C ATOM 1247 NZ LYS A 72 44.158 10.130 -33.926 1.00 0.00 N ATOM 0 H LYS A 72 37.308 11.903 -30.982 1.00 0.00 H new ATOM 0 HA LYS A 72 39.577 10.140 -31.162 1.00 0.00 H new ATOM 0 HB2 LYS A 72 39.616 12.699 -32.704 1.00 0.00 H new ATOM 0 HB3 LYS A 72 41.061 12.180 -31.858 1.00 0.00 H new ATOM 0 HG2 LYS A 72 40.304 9.815 -33.053 1.00 0.00 H new ATOM 0 HG3 LYS A 72 39.713 10.970 -34.231 1.00 0.00 H new ATOM 0 HD2 LYS A 72 41.841 11.007 -35.041 1.00 0.00 H new ATOM 0 HD3 LYS A 72 42.231 11.997 -33.648 1.00 0.00 H new ATOM 0 HE2 LYS A 72 42.775 9.921 -32.340 1.00 0.00 H new ATOM 0 HE3 LYS A 72 42.414 8.947 -33.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 44.775 9.375 -33.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 44.160 10.109 -34.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 44.509 11.052 -33.598 1.00 0.00 H new ATOM 1260 N MET A 73 39.915 10.932 -28.905 1.00 0.00 N ATOM 1261 CA MET A 73 40.159 11.363 -27.539 1.00 0.00 C ATOM 1262 C MET A 73 40.821 12.742 -27.510 1.00 0.00 C ATOM 1263 O MET A 73 40.482 13.580 -26.675 1.00 0.00 O ATOM 1264 CB MET A 73 41.063 10.347 -26.837 1.00 0.00 C ATOM 1265 CG MET A 73 40.273 9.104 -26.425 1.00 0.00 C ATOM 1266 SD MET A 73 40.042 9.086 -24.655 1.00 0.00 S ATOM 1267 CE MET A 73 38.379 9.727 -24.554 1.00 0.00 C ATOM 0 H MET A 73 40.112 9.947 -29.083 1.00 0.00 H new ATOM 0 HA MET A 73 39.202 11.429 -27.022 1.00 0.00 H new ATOM 0 HB2 MET A 73 41.879 10.061 -27.501 1.00 0.00 H new ATOM 0 HB3 MET A 73 41.515 10.804 -25.956 1.00 0.00 H new ATOM 0 HG2 MET A 73 39.305 9.095 -26.926 1.00 0.00 H new ATOM 0 HG3 MET A 73 40.803 8.205 -26.740 1.00 0.00 H new ATOM 0 HE1 MET A 73 38.054 9.732 -23.514 1.00 0.00 H new ATOM 0 HE2 MET A 73 38.356 10.744 -24.947 1.00 0.00 H new ATOM 0 HE3 MET A 73 37.710 9.097 -25.140 1.00 0.00 H new ATOM 1277 N GLU A 74 41.754 12.935 -28.431 1.00 0.00 N ATOM 1278 CA GLU A 74 42.466 14.198 -28.521 1.00 0.00 C ATOM 1279 C GLU A 74 43.092 14.552 -27.170 1.00 0.00 C ATOM 1280 O GLU A 74 42.848 13.875 -26.173 1.00 0.00 O ATOM 1281 CB GLU A 74 41.541 15.316 -29.006 1.00 0.00 C ATOM 1282 CG GLU A 74 41.507 15.374 -30.535 1.00 0.00 C ATOM 1283 CD GLU A 74 40.929 16.705 -31.020 1.00 0.00 C ATOM 1284 OE1 GLU A 74 39.710 16.816 -31.219 1.00 0.00 O ATOM 1285 OE2 GLU A 74 41.794 17.647 -31.189 1.00 0.00 O ATOM 0 H GLU A 74 42.033 12.238 -29.121 1.00 0.00 H new ATOM 0 HA GLU A 74 43.266 14.090 -29.253 1.00 0.00 H new ATOM 0 HB2 GLU A 74 40.534 15.152 -28.622 1.00 0.00 H new ATOM 0 HB3 GLU A 74 41.882 16.273 -28.610 1.00 0.00 H new ATOM 0 HG2 GLU A 74 42.515 15.246 -30.930 1.00 0.00 H new ATOM 0 HG3 GLU A 74 40.906 14.550 -30.921 1.00 0.00 H new ATOM 1293 N GLN A 75 43.886 15.613 -27.181 1.00 0.00 N ATOM 1294 CA GLN A 75 44.548 16.065 -25.970 1.00 0.00 C ATOM 1295 C GLN A 75 43.548 16.142 -24.815 1.00 0.00 C ATOM 1296 O GLN A 75 42.350 15.940 -25.012 1.00 0.00 O ATOM 1297 CB GLN A 75 45.235 17.414 -26.191 1.00 0.00 C ATOM 1298 CG GLN A 75 46.757 17.272 -26.126 1.00 0.00 C ATOM 1299 CD GLN A 75 47.447 18.576 -26.532 1.00 0.00 C ATOM 1300 OE1 GLN A 75 47.929 19.335 -25.707 1.00 0.00 O ATOM 1301 NE2 GLN A 75 47.468 18.792 -27.844 1.00 0.00 N ATOM 0 H GLN A 75 44.085 16.173 -28.010 1.00 0.00 H new ATOM 0 HA GLN A 75 45.319 15.340 -25.709 1.00 0.00 H new ATOM 0 HB2 GLN A 75 44.945 17.819 -27.161 1.00 0.00 H new ATOM 0 HB3 GLN A 75 44.900 18.125 -25.436 1.00 0.00 H new ATOM 0 HG2 GLN A 75 47.057 16.997 -25.115 1.00 0.00 H new ATOM 0 HG3 GLN A 75 47.079 16.466 -26.785 1.00 0.00 H new ATOM 0 HE21 GLN A 75 47.046 18.115 -28.479 1.00 0.00 H new ATOM 0 HE22 GLN A 75 47.907 19.635 -28.215 1.00 0.00 H new ATOM 1310 N ARG A 76 44.075 16.434 -23.635 1.00 0.00 N ATOM 1311 CA ARG A 76 43.243 16.540 -22.449 1.00 0.00 C ATOM 1312 C ARG A 76 42.567 15.200 -22.154 1.00 0.00 C ATOM 1313 O ARG A 76 41.414 14.987 -22.528 1.00 0.00 O ATOM 1314 CB ARG A 76 42.171 17.617 -22.622 1.00 0.00 C ATOM 1315 CG ARG A 76 42.802 19.008 -22.717 1.00 0.00 C ATOM 1316 CD ARG A 76 41.807 20.091 -22.296 1.00 0.00 C ATOM 1317 NE ARG A 76 42.072 20.506 -20.900 1.00 0.00 N ATOM 1318 CZ ARG A 76 41.499 21.574 -20.306 1.00 0.00 C ATOM 1319 NH1 ARG A 76 40.622 22.346 -20.983 1.00 0.00 N ATOM 1320 NH2 ARG A 76 41.809 21.853 -19.053 1.00 0.00 N ATOM 0 H ARG A 76 45.069 16.601 -23.475 1.00 0.00 H new ATOM 0 HA ARG A 76 43.888 16.817 -21.615 1.00 0.00 H new ATOM 0 HB2 ARG A 76 41.590 17.415 -23.522 1.00 0.00 H new ATOM 0 HB3 ARG A 76 41.479 17.584 -21.781 1.00 0.00 H new ATOM 0 HG2 ARG A 76 43.686 19.054 -22.081 1.00 0.00 H new ATOM 0 HG3 ARG A 76 43.134 19.192 -23.739 1.00 0.00 H new ATOM 0 HD2 ARG A 76 41.889 20.950 -22.961 1.00 0.00 H new ATOM 0 HD3 ARG A 76 40.788 19.715 -22.385 1.00 0.00 H new ATOM 0 HE ARG A 76 42.729 19.950 -20.353 1.00 0.00 H new ATOM 0 HH11 ARG A 76 40.388 22.124 -21.951 1.00 0.00 H new ATOM 0 HH12 ARG A 76 40.193 23.151 -20.527 1.00 0.00 H new ATOM 0 HH21 ARG A 76 42.473 21.265 -18.549 1.00 0.00 H new ATOM 0 HH22 ARG A 76 41.385 22.657 -18.589 1.00 0.00 H new ATOM 1333 N LYS A 77 43.312 14.331 -21.486 1.00 0.00 N ATOM 1334 CA LYS A 77 42.798 13.018 -21.136 1.00 0.00 C ATOM 1335 C LYS A 77 43.067 12.747 -19.655 1.00 0.00 C ATOM 1336 O LYS A 77 44.095 13.162 -19.121 1.00 0.00 O ATOM 1337 CB LYS A 77 43.373 11.951 -22.071 1.00 0.00 C ATOM 1338 CG LYS A 77 43.081 10.545 -21.543 1.00 0.00 C ATOM 1339 CD LYS A 77 42.676 9.606 -22.681 1.00 0.00 C ATOM 1340 CE LYS A 77 43.892 8.859 -23.234 1.00 0.00 C ATOM 1341 NZ LYS A 77 44.641 9.716 -24.180 1.00 0.00 N ATOM 0 H LYS A 77 44.268 14.511 -21.178 1.00 0.00 H new ATOM 0 HA LYS A 77 41.718 12.983 -21.275 1.00 0.00 H new ATOM 0 HB2 LYS A 77 42.945 12.066 -23.067 1.00 0.00 H new ATOM 0 HB3 LYS A 77 44.450 12.090 -22.169 1.00 0.00 H new ATOM 0 HG2 LYS A 77 43.963 10.151 -21.038 1.00 0.00 H new ATOM 0 HG3 LYS A 77 42.283 10.589 -20.802 1.00 0.00 H new ATOM 0 HD2 LYS A 77 41.937 8.890 -22.321 1.00 0.00 H new ATOM 0 HD3 LYS A 77 42.203 10.178 -23.479 1.00 0.00 H new ATOM 0 HE2 LYS A 77 44.544 8.556 -22.414 1.00 0.00 H new ATOM 0 HE3 LYS A 77 43.568 7.948 -23.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 45.423 9.172 -24.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 44.003 10.040 -24.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 45.024 10.540 -23.674 1.00 0.00 H new ATOM 1354 N LEU A 78 42.126 12.053 -19.032 1.00 0.00 N ATOM 1355 CA LEU A 78 42.249 11.723 -17.622 1.00 0.00 C ATOM 1356 C LEU A 78 42.436 10.211 -17.472 1.00 0.00 C ATOM 1357 O LEU A 78 42.161 9.453 -18.400 1.00 0.00 O ATOM 1358 CB LEU A 78 41.058 12.275 -16.837 1.00 0.00 C ATOM 1359 CG LEU A 78 39.812 11.388 -16.795 1.00 0.00 C ATOM 1360 CD1 LEU A 78 39.306 11.221 -15.360 1.00 0.00 C ATOM 1361 CD2 LEU A 78 38.724 11.926 -17.727 1.00 0.00 C ATOM 0 H LEU A 78 41.275 11.710 -19.478 1.00 0.00 H new ATOM 0 HA LEU A 78 43.132 12.199 -17.195 1.00 0.00 H new ATOM 0 HB2 LEU A 78 41.380 12.464 -15.813 1.00 0.00 H new ATOM 0 HB3 LEU A 78 40.780 13.237 -17.266 1.00 0.00 H new ATOM 0 HG LEU A 78 40.086 10.397 -17.158 1.00 0.00 H new ATOM 0 HD11 LEU A 78 38.420 10.586 -15.358 1.00 0.00 H new ATOM 0 HD12 LEU A 78 40.084 10.760 -14.751 1.00 0.00 H new ATOM 0 HD13 LEU A 78 39.054 12.198 -14.947 1.00 0.00 H new ATOM 0 HD21 LEU A 78 37.850 11.277 -17.678 1.00 0.00 H new ATOM 0 HD22 LEU A 78 38.446 12.934 -17.418 1.00 0.00 H new ATOM 0 HD23 LEU A 78 39.101 11.951 -18.750 1.00 0.00 H new ATOM 1373 N ASN A 79 42.904 9.820 -16.296 1.00 0.00 N ATOM 1374 CA ASN A 79 43.132 8.413 -16.012 1.00 0.00 C ATOM 1375 C ASN A 79 43.475 8.245 -14.531 1.00 0.00 C ATOM 1376 O ASN A 79 43.032 7.293 -13.891 1.00 0.00 O ATOM 1377 CB ASN A 79 44.303 7.868 -16.833 1.00 0.00 C ATOM 1378 CG ASN A 79 45.540 8.754 -16.679 1.00 0.00 C ATOM 1379 OD1 ASN A 79 46.299 8.646 -15.730 1.00 0.00 O ATOM 1380 ND2 ASN A 79 45.701 9.635 -17.663 1.00 0.00 N ATOM 0 H ASN A 79 43.132 10.453 -15.529 1.00 0.00 H new ATOM 0 HA ASN A 79 42.225 7.866 -16.270 1.00 0.00 H new ATOM 0 HB2 ASN A 79 44.536 6.853 -16.511 1.00 0.00 H new ATOM 0 HB3 ASN A 79 44.020 7.812 -17.884 1.00 0.00 H new ATOM 0 HD21 ASN A 79 46.497 10.272 -17.652 1.00 0.00 H new ATOM 0 HD22 ASN A 79 45.028 9.673 -18.429 1.00 0.00 H new ATOM 1387 N ASP A 80 44.262 9.185 -14.028 1.00 0.00 N ATOM 1388 CA ASP A 80 44.670 9.153 -12.634 1.00 0.00 C ATOM 1389 C ASP A 80 43.800 10.123 -11.831 1.00 0.00 C ATOM 1390 O ASP A 80 43.123 9.718 -10.887 1.00 0.00 O ATOM 1391 CB ASP A 80 46.129 9.586 -12.477 1.00 0.00 C ATOM 1392 CG ASP A 80 46.777 9.203 -11.145 1.00 0.00 C ATOM 1393 OD1 ASP A 80 46.168 8.514 -10.313 1.00 0.00 O ATOM 1394 OD2 ASP A 80 47.975 9.649 -10.973 1.00 0.00 O ATOM 0 H ASP A 80 44.628 9.974 -14.561 1.00 0.00 H new ATOM 0 HA ASP A 80 44.556 8.131 -12.272 1.00 0.00 H new ATOM 0 HB2 ASP A 80 46.712 9.147 -13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 80 46.186 10.668 -12.594 1.00 0.00 H new ATOM 1400 N GLN A 81 43.848 11.384 -12.234 1.00 0.00 N ATOM 1401 CA GLN A 81 43.073 12.414 -11.564 1.00 0.00 C ATOM 1402 C GLN A 81 43.363 12.403 -10.062 1.00 0.00 C ATOM 1403 O GLN A 81 42.785 11.610 -9.319 1.00 0.00 O ATOM 1404 CB GLN A 81 41.577 12.238 -11.834 1.00 0.00 C ATOM 1405 CG GLN A 81 40.767 13.364 -11.189 1.00 0.00 C ATOM 1406 CD GLN A 81 40.054 12.873 -9.927 1.00 0.00 C ATOM 1407 OE1 GLN A 81 40.348 11.820 -9.387 1.00 0.00 O ATOM 1408 NE2 GLN A 81 39.103 13.694 -9.490 1.00 0.00 N ATOM 0 H GLN A 81 44.412 11.716 -13.017 1.00 0.00 H new ATOM 0 HA GLN A 81 43.370 13.383 -11.965 1.00 0.00 H new ATOM 0 HB2 GLN A 81 41.397 12.225 -12.909 1.00 0.00 H new ATOM 0 HB3 GLN A 81 41.244 11.276 -11.444 1.00 0.00 H new ATOM 0 HG2 GLN A 81 41.427 14.194 -10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 81 40.034 13.743 -11.901 1.00 0.00 H new ATOM 0 HE21 GLN A 81 38.908 14.561 -9.991 1.00 0.00 H new ATOM 0 HE22 GLN A 81 38.569 13.457 -8.654 1.00 0.00 H new ATOM 1417 N ALA A 82 44.259 13.292 -9.658 1.00 0.00 N ATOM 1418 CA ALA A 82 44.633 13.395 -8.258 1.00 0.00 C ATOM 1419 C ALA A 82 45.413 14.693 -8.037 1.00 0.00 C ATOM 1420 O ALA A 82 46.093 15.174 -8.942 1.00 0.00 O ATOM 1421 CB ALA A 82 45.434 12.157 -7.851 1.00 0.00 C ATOM 0 H ALA A 82 44.737 13.948 -10.276 1.00 0.00 H new ATOM 0 HA ALA A 82 43.746 13.432 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 82 45.715 12.234 -6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 82 44.825 11.265 -7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 82 46.334 12.088 -8.463 1.00 0.00 H new ATOM 1427 N ASN A 83 45.290 15.222 -6.829 1.00 0.00 N ATOM 1428 CA ASN A 83 45.975 16.454 -6.478 1.00 0.00 C ATOM 1429 C ASN A 83 45.823 16.707 -4.976 1.00 0.00 C ATOM 1430 O ASN A 83 44.710 16.872 -4.481 1.00 0.00 O ATOM 1431 CB ASN A 83 45.375 17.649 -7.221 1.00 0.00 C ATOM 1432 CG ASN A 83 46.368 18.216 -8.238 1.00 0.00 C ATOM 1433 OD1 ASN A 83 47.517 17.812 -8.315 1.00 0.00 O ATOM 1434 ND2 ASN A 83 45.862 19.172 -9.012 1.00 0.00 N ATOM 0 H ASN A 83 44.726 14.820 -6.081 1.00 0.00 H new ATOM 0 HA ASN A 83 47.024 16.347 -6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 83 44.461 17.344 -7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 83 45.098 18.424 -6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 83 46.445 19.614 -9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 83 44.891 19.463 -8.895 1.00 0.00 H new ATOM 1441 N THR A 84 46.959 16.729 -4.295 1.00 0.00 N ATOM 1442 CA THR A 84 46.966 16.959 -2.860 1.00 0.00 C ATOM 1443 C THR A 84 48.255 17.668 -2.440 1.00 0.00 C ATOM 1444 O THR A 84 49.307 17.039 -2.330 1.00 0.00 O ATOM 1445 CB THR A 84 46.759 15.613 -2.164 1.00 0.00 C ATOM 1446 OG1 THR A 84 47.799 14.789 -2.685 1.00 0.00 O ATOM 1447 CG2 THR A 84 45.473 14.915 -2.610 1.00 0.00 C ATOM 0 H THR A 84 47.881 16.591 -4.710 1.00 0.00 H new ATOM 0 HA THR A 84 46.155 17.623 -2.562 1.00 0.00 H new ATOM 0 HB THR A 84 46.735 15.763 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 84 48.633 15.302 -2.726 1.00 0.00 H new ATOM 0 HG21 THR A 84 45.374 13.964 -2.086 1.00 0.00 H new ATOM 0 HG22 THR A 84 44.616 15.548 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 84 45.511 14.735 -3.684 1.00 0.00 H new ATOM 1455 N LEU A 85 48.132 18.969 -2.217 1.00 0.00 N ATOM 1456 CA LEU A 85 49.274 19.770 -1.812 1.00 0.00 C ATOM 1457 C LEU A 85 49.083 20.227 -0.364 1.00 0.00 C ATOM 1458 O LEU A 85 50.011 20.747 0.254 1.00 0.00 O ATOM 1459 CB LEU A 85 49.498 20.920 -2.795 1.00 0.00 C ATOM 1460 CG LEU A 85 48.345 21.916 -2.936 1.00 0.00 C ATOM 1461 CD1 LEU A 85 48.861 23.300 -3.335 1.00 0.00 C ATOM 1462 CD2 LEU A 85 47.287 21.396 -3.912 1.00 0.00 C ATOM 0 H LEU A 85 47.259 19.488 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 85 50.186 19.174 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 85 50.389 21.467 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 85 49.708 20.496 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 85 47.863 22.020 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 85 48.021 23.988 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 85 49.547 23.666 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 85 49.383 23.233 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 85 46.479 22.123 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 85 47.739 21.244 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 85 46.888 20.450 -3.546 1.00 0.00 H new ATOM 1474 N VAL A 86 47.874 20.017 0.134 1.00 0.00 N ATOM 1475 CA VAL A 86 47.549 20.401 1.498 1.00 0.00 C ATOM 1476 C VAL A 86 47.252 19.146 2.319 1.00 0.00 C ATOM 1477 O VAL A 86 46.186 19.033 2.924 1.00 0.00 O ATOM 1478 CB VAL A 86 46.393 21.404 1.498 1.00 0.00 C ATOM 1479 CG1 VAL A 86 46.808 22.719 0.835 1.00 0.00 C ATOM 1480 CG2 VAL A 86 45.156 20.814 0.818 1.00 0.00 C ATOM 0 H VAL A 86 47.107 19.586 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 86 48.396 20.902 1.966 1.00 0.00 H new ATOM 0 HB VAL A 86 46.135 21.619 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 86 45.968 23.414 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 86 47.647 23.153 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 86 47.105 22.529 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 86 44.349 21.547 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 86 45.396 20.557 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 86 44.841 19.917 1.351 1.00 0.00 H new ATOM 1490 N ASP A 87 48.212 18.233 2.316 1.00 0.00 N ATOM 1491 CA ASP A 87 48.067 16.990 3.053 1.00 0.00 C ATOM 1492 C ASP A 87 49.341 16.728 3.859 1.00 0.00 C ATOM 1493 O ASP A 87 50.321 17.460 3.732 1.00 0.00 O ATOM 1494 CB ASP A 87 47.855 15.808 2.105 1.00 0.00 C ATOM 1495 CG ASP A 87 46.393 15.434 1.854 1.00 0.00 C ATOM 1496 OD1 ASP A 87 45.690 16.092 1.073 1.00 0.00 O ATOM 1497 OD2 ASP A 87 45.974 14.405 2.509 1.00 0.00 O ATOM 0 H ASP A 87 49.095 18.330 1.814 1.00 0.00 H new ATOM 0 HA ASP A 87 47.201 17.086 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 87 48.324 16.040 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 87 48.372 14.939 2.511 1.00 0.00 H new ATOM 1503 N LEU A 88 49.285 15.681 4.669 1.00 0.00 N ATOM 1504 CA LEU A 88 50.422 15.313 5.495 1.00 0.00 C ATOM 1505 C LEU A 88 51.108 16.582 6.006 1.00 0.00 C ATOM 1506 O LEU A 88 52.321 16.598 6.210 1.00 0.00 O ATOM 1507 CB LEU A 88 51.358 14.374 4.732 1.00 0.00 C ATOM 1508 CG LEU A 88 52.185 15.013 3.615 1.00 0.00 C ATOM 1509 CD1 LEU A 88 53.682 14.909 3.914 1.00 0.00 C ATOM 1510 CD2 LEU A 88 51.829 14.411 2.255 1.00 0.00 C ATOM 0 H LEU A 88 48.470 15.076 4.771 1.00 0.00 H new ATOM 0 HA LEU A 88 50.091 14.754 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 88 52.042 13.916 5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 88 50.761 13.570 4.301 1.00 0.00 H new ATOM 0 HG LEU A 88 51.938 16.074 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.248 15.371 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 88 53.903 15.422 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.964 13.860 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 88 52.431 14.883 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 88 52.029 13.340 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 88 50.772 14.580 2.047 1.00 0.00 H new ATOM 1522 N ALA A 89 50.302 17.616 6.198 1.00 0.00 N ATOM 1523 CA ALA A 89 50.816 18.886 6.681 1.00 0.00 C ATOM 1524 C ALA A 89 49.687 19.661 7.365 1.00 0.00 C ATOM 1525 O ALA A 89 49.697 19.833 8.583 1.00 0.00 O ATOM 1526 CB ALA A 89 51.434 19.663 5.517 1.00 0.00 C ATOM 0 H ALA A 89 49.296 17.600 6.028 1.00 0.00 H new ATOM 0 HA ALA A 89 51.601 18.726 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 89 51.820 20.616 5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 89 52.249 19.083 5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 89 50.674 19.845 4.757 1.00 0.00 H new ATOM 1532 N LYS A 90 48.742 20.108 6.551 1.00 0.00 N ATOM 1533 CA LYS A 90 47.609 20.861 7.062 1.00 0.00 C ATOM 1534 C LYS A 90 46.469 19.896 7.394 1.00 0.00 C ATOM 1535 O LYS A 90 45.791 19.399 6.496 1.00 0.00 O ATOM 1536 CB LYS A 90 47.214 21.966 6.081 1.00 0.00 C ATOM 1537 CG LYS A 90 45.957 22.698 6.556 1.00 0.00 C ATOM 1538 CD LYS A 90 44.880 22.702 5.469 1.00 0.00 C ATOM 1539 CE LYS A 90 43.623 23.433 5.946 1.00 0.00 C ATOM 1540 NZ LYS A 90 43.874 24.888 6.040 1.00 0.00 N ATOM 0 H LYS A 90 48.738 19.963 5.541 1.00 0.00 H new ATOM 0 HA LYS A 90 47.876 21.370 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 90 48.035 22.676 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 90 47.038 21.536 5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 90 45.570 22.217 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 90 46.209 23.723 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 90 45.266 23.184 4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 90 44.628 21.677 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 90 42.801 23.244 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 90 43.318 23.047 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 42.975 25.386 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 44.520 25.078 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 44.304 25.224 5.155 1.00 0.00 H new ATOM 1553 N THR A 91 46.294 19.660 8.686 1.00 0.00 N ATOM 1554 CA THR A 91 45.247 18.763 9.147 1.00 0.00 C ATOM 1555 C THR A 91 44.168 19.545 9.898 1.00 0.00 C ATOM 1556 O THR A 91 43.122 18.995 10.239 1.00 0.00 O ATOM 1557 CB THR A 91 45.902 17.667 9.991 1.00 0.00 C ATOM 1558 OG1 THR A 91 44.808 17.040 10.654 1.00 0.00 O ATOM 1559 CG2 THR A 91 46.753 18.234 11.129 1.00 0.00 C ATOM 0 H THR A 91 46.859 20.074 9.428 1.00 0.00 H new ATOM 0 HA THR A 91 44.736 18.287 8.310 1.00 0.00 H new ATOM 0 HB THR A 91 46.523 17.039 9.352 1.00 0.00 H new ATOM 0 HG1 THR A 91 43.966 17.417 10.324 1.00 0.00 H new ATOM 0 HG21 THR A 91 47.194 17.415 11.696 1.00 0.00 H new ATOM 0 HG22 THR A 91 47.546 18.857 10.715 1.00 0.00 H new ATOM 0 HG23 THR A 91 46.126 18.835 11.788 1.00 0.00 H new ATOM 1567 N GLN A 92 44.459 20.816 10.134 1.00 0.00 N ATOM 1568 CA GLN A 92 43.526 21.679 10.838 1.00 0.00 C ATOM 1569 C GLN A 92 44.228 22.959 11.295 1.00 0.00 C ATOM 1570 O GLN A 92 44.494 23.135 12.483 1.00 0.00 O ATOM 1571 CB GLN A 92 42.892 20.948 12.024 1.00 0.00 C ATOM 1572 CG GLN A 92 41.404 20.689 11.775 1.00 0.00 C ATOM 1573 CD GLN A 92 40.656 20.483 13.094 1.00 0.00 C ATOM 1574 OE1 GLN A 92 41.110 19.798 13.995 1.00 0.00 O ATOM 1575 NE2 GLN A 92 39.487 21.114 13.156 1.00 0.00 N ATOM 0 H GLN A 92 45.328 21.269 9.850 1.00 0.00 H new ATOM 0 HA GLN A 92 42.725 21.953 10.151 1.00 0.00 H new ATOM 0 HB2 GLN A 92 43.407 20.002 12.190 1.00 0.00 H new ATOM 0 HB3 GLN A 92 43.015 21.541 12.930 1.00 0.00 H new ATOM 0 HG2 GLN A 92 40.970 21.530 11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 92 41.285 19.808 11.144 1.00 0.00 H new ATOM 0 HE21 GLN A 92 39.166 21.672 12.365 1.00 0.00 H new ATOM 0 HE22 GLN A 92 38.911 21.040 13.995 1.00 0.00 H new TER 1584 GLN A 92