USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -19.4! C(o=-31!,f=-45!) USER MOD Set 1.2: A 60 ASN : amide:sc= -11.3! C(o=-31!,f=-37!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0.569 (180deg=0.558) USER MOD Single : A 19 ASN : amide:sc= 0.19 K(o=0.19,f=-9!) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.213 USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= -0.217 (180deg=-2.01!) USER MOD Single : A 24 MET CE :methyl -132:sc= -3.2! (180deg=-4.51!) USER MOD Single : A 26 MET CE :methyl -109:sc=-0.00567 (180deg=-0.211) USER MOD Single : A 29 THR OG1 : rot 56:sc= 0.617 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= -0.744 (180deg=-0.817) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.126 USER MOD Single : A 46 SER OG : rot 160:sc= -2.13! USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= -0.0207 (180deg=-0.369) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -1.13! F(o=-2,f=-1.1!) USER MOD Single : A 56 THR OG1 : rot 109:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.729 45.837 -24.316 1.00 1.26 N ATOM 2 CA LEU A 1 66.425 46.603 -25.558 1.00 0.65 C ATOM 3 C LEU A 1 65.112 46.109 -26.160 1.00 0.58 C ATOM 4 O LEU A 1 64.692 44.993 -25.925 1.00 0.77 O ATOM 5 CB LEU A 1 67.598 46.306 -26.492 1.00 1.19 C ATOM 6 CG LEU A 1 67.746 47.412 -27.546 1.00 1.07 C ATOM 7 CD1 LEU A 1 67.564 48.787 -26.902 1.00 1.38 C ATOM 8 CD2 LEU A 1 69.143 47.328 -28.159 1.00 1.53 C ATOM 0 H1 LEU A 1 67.624 46.176 -23.909 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.962 45.974 -23.627 1.00 1.26 H new ATOM 0 H3 LEU A 1 66.814 44.826 -24.544 1.00 1.26 H new ATOM 0 HA LEU A 1 66.310 47.672 -25.380 1.00 0.65 H new ATOM 0 HB2 LEU A 1 68.518 46.223 -25.913 1.00 1.19 H new ATOM 0 HB3 LEU A 1 67.443 45.346 -26.984 1.00 1.19 H new ATOM 0 HG LEU A 1 66.985 47.277 -28.315 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.672 49.562 -27.661 1.00 1.38 H new ATOM 0 HD12 LEU A 1 66.571 48.851 -26.456 1.00 1.38 H new ATOM 0 HD13 LEU A 1 68.319 48.929 -26.129 1.00 1.38 H new ATOM 0 HD21 LEU A 1 69.259 48.110 -28.910 1.00 1.53 H new ATOM 0 HD22 LEU A 1 69.892 47.461 -27.378 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.277 46.353 -28.627 1.00 1.53 H new ATOM 22 N LYS A 2 64.451 46.928 -26.928 1.00 0.45 N ATOM 23 CA LYS A 2 63.158 46.494 -27.527 1.00 0.53 C ATOM 24 C LYS A 2 62.929 47.158 -28.886 1.00 0.43 C ATOM 25 O LYS A 2 63.620 48.085 -29.264 1.00 0.59 O ATOM 26 CB LYS A 2 62.093 46.956 -26.532 1.00 0.71 C ATOM 27 CG LYS A 2 62.291 48.444 -26.229 1.00 1.14 C ATOM 28 CD LYS A 2 62.026 48.708 -24.745 1.00 1.23 C ATOM 29 CE LYS A 2 63.354 48.707 -23.983 1.00 1.98 C ATOM 30 NZ LYS A 2 62.978 48.610 -22.544 1.00 2.63 N ATOM 0 H LYS A 2 64.747 47.874 -27.166 1.00 0.45 H new ATOM 0 HA LYS A 2 63.135 45.418 -27.699 1.00 0.53 H new ATOM 0 HB2 LYS A 2 61.098 46.787 -26.943 1.00 0.71 H new ATOM 0 HB3 LYS A 2 62.162 46.374 -25.613 1.00 0.71 H new ATOM 0 HG2 LYS A 2 63.306 48.745 -26.486 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.616 49.043 -26.841 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.523 49.667 -24.619 1.00 1.23 H new ATOM 0 HD3 LYS A 2 61.362 47.944 -24.341 1.00 1.23 H new ATOM 0 HE2 LYS A 2 63.980 47.867 -24.284 1.00 1.98 H new ATOM 0 HE3 LYS A 2 63.923 49.616 -24.181 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 63.839 48.604 -21.960 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 62.388 49.426 -22.283 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 62.444 47.732 -22.383 1.00 2.63 H new ATOM 44 N CYS A 3 61.945 46.696 -29.609 1.00 0.40 N ATOM 45 CA CYS A 3 61.628 47.293 -30.940 1.00 0.40 C ATOM 46 C CYS A 3 60.120 47.549 -31.022 1.00 0.40 C ATOM 47 O CYS A 3 59.337 46.871 -30.386 1.00 0.44 O ATOM 48 CB CYS A 3 62.050 46.242 -31.971 1.00 0.54 C ATOM 49 SG CYS A 3 63.829 46.367 -32.289 1.00 0.68 S ATOM 0 H CYS A 3 61.341 45.922 -29.332 1.00 0.40 H new ATOM 0 HA CYS A 3 62.140 48.240 -31.110 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.807 45.244 -31.606 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.495 46.387 -32.898 1.00 0.54 H new ATOM 54 N ASN A 4 59.702 48.517 -31.792 1.00 0.43 N ATOM 55 CA ASN A 4 58.234 48.796 -31.888 1.00 0.49 C ATOM 56 C ASN A 4 57.479 47.484 -32.054 1.00 0.49 C ATOM 57 O ASN A 4 58.056 46.463 -32.373 1.00 0.55 O ATOM 58 CB ASN A 4 58.015 49.673 -33.130 1.00 0.60 C ATOM 59 CG ASN A 4 59.191 50.626 -33.337 1.00 0.99 C ATOM 60 OD1 ASN A 4 60.317 50.195 -33.459 1.00 1.93 O ATOM 61 ND2 ASN A 4 58.977 51.910 -33.380 1.00 1.09 N ATOM 0 H ASN A 4 60.302 49.122 -32.353 1.00 0.43 H new ATOM 0 HA ASN A 4 57.874 49.298 -30.990 1.00 0.49 H new ATOM 0 HB2 ASN A 4 57.894 49.041 -34.010 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.093 50.244 -33.019 1.00 0.60 H new ATOM 0 HD21 ASN A 4 59.757 52.553 -33.516 1.00 1.09 H new ATOM 0 HD22 ASN A 4 58.029 52.273 -33.277 1.00 1.09 H new ATOM 68 N LYS A 5 56.197 47.493 -31.845 1.00 0.52 N ATOM 69 CA LYS A 5 55.424 46.256 -31.999 1.00 0.60 C ATOM 70 C LYS A 5 54.458 46.455 -33.176 1.00 0.71 C ATOM 71 O LYS A 5 54.308 47.550 -33.680 1.00 1.48 O ATOM 72 CB LYS A 5 54.737 46.094 -30.631 1.00 0.68 C ATOM 73 CG LYS A 5 53.305 45.598 -30.772 1.00 1.03 C ATOM 74 CD LYS A 5 53.275 44.076 -30.641 1.00 1.48 C ATOM 75 CE LYS A 5 52.123 43.662 -29.716 1.00 1.84 C ATOM 76 NZ LYS A 5 51.262 42.763 -30.538 1.00 2.49 N ATOM 0 H LYS A 5 55.656 48.314 -31.573 1.00 0.52 H new ATOM 0 HA LYS A 5 55.993 45.356 -32.235 1.00 0.60 H new ATOM 0 HB2 LYS A 5 55.306 45.393 -30.020 1.00 0.68 H new ATOM 0 HB3 LYS A 5 54.741 47.050 -30.107 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.675 46.052 -30.007 1.00 1.03 H new ATOM 0 HG3 LYS A 5 52.899 45.898 -31.738 1.00 1.03 H new ATOM 0 HD2 LYS A 5 53.149 43.619 -31.622 1.00 1.48 H new ATOM 0 HD3 LYS A 5 54.223 43.716 -30.241 1.00 1.48 H new ATOM 0 HE2 LYS A 5 52.495 43.148 -28.830 1.00 1.84 H new ATOM 0 HE3 LYS A 5 51.565 44.532 -29.369 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 50.453 42.441 -29.969 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 50.915 43.281 -31.371 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 51.816 41.940 -30.848 1.00 2.49 H new ATOM 90 N LEU A 6 53.826 45.419 -33.636 1.00 0.53 N ATOM 91 CA LEU A 6 52.898 45.565 -34.798 1.00 0.57 C ATOM 92 C LEU A 6 51.950 46.765 -34.629 1.00 0.62 C ATOM 93 O LEU A 6 51.570 47.395 -35.598 1.00 0.72 O ATOM 94 CB LEU A 6 52.130 44.250 -34.837 1.00 0.59 C ATOM 95 CG LEU A 6 52.315 43.597 -36.204 1.00 0.70 C ATOM 96 CD1 LEU A 6 51.660 42.213 -36.203 1.00 1.22 C ATOM 97 CD2 LEU A 6 51.671 44.476 -37.277 1.00 0.78 C ATOM 0 H LEU A 6 53.908 44.474 -33.262 1.00 0.53 H new ATOM 0 HA LEU A 6 53.436 45.760 -35.726 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.487 43.584 -34.052 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.072 44.428 -34.647 1.00 0.59 H new ATOM 0 HG LEU A 6 53.378 43.489 -36.417 1.00 0.70 H new ATOM 0 HD11 LEU A 6 51.792 41.747 -37.179 1.00 1.22 H new ATOM 0 HD12 LEU A 6 52.125 41.591 -35.438 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.596 42.314 -35.991 1.00 1.22 H new ATOM 0 HD21 LEU A 6 51.802 44.012 -38.254 1.00 0.78 H new ATOM 0 HD22 LEU A 6 50.607 44.586 -37.067 1.00 0.78 H new ATOM 0 HD23 LEU A 6 52.144 45.458 -37.275 1.00 0.78 H new ATOM 109 N VAL A 7 51.562 47.098 -33.426 1.00 0.61 N ATOM 110 CA VAL A 7 50.649 48.262 -33.241 1.00 0.71 C ATOM 111 C VAL A 7 51.464 49.526 -32.915 1.00 0.70 C ATOM 112 O VAL A 7 52.473 49.448 -32.241 1.00 0.62 O ATOM 113 CB VAL A 7 49.733 47.908 -32.060 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.392 48.626 -32.231 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.487 46.396 -32.004 1.00 0.79 C ATOM 0 H VAL A 7 51.836 46.617 -32.569 1.00 0.61 H new ATOM 0 HA VAL A 7 50.073 48.462 -34.145 1.00 0.71 H new ATOM 0 HB VAL A 7 50.216 48.222 -31.135 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.738 48.378 -31.395 1.00 0.93 H new ATOM 0 HG12 VAL A 7 48.557 49.703 -32.256 1.00 0.93 H new ATOM 0 HG13 VAL A 7 47.926 48.308 -33.164 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.836 46.164 -31.161 1.00 0.79 H new ATOM 0 HG22 VAL A 7 49.012 46.070 -32.929 1.00 0.79 H new ATOM 0 HG23 VAL A 7 50.438 45.877 -31.882 1.00 0.79 H new ATOM 125 N PRO A 8 50.994 50.656 -33.399 1.00 0.84 N ATOM 126 CA PRO A 8 51.678 51.962 -33.154 1.00 0.91 C ATOM 127 C PRO A 8 51.532 52.434 -31.694 1.00 0.92 C ATOM 128 O PRO A 8 51.658 53.610 -31.411 1.00 1.21 O ATOM 129 CB PRO A 8 50.905 52.912 -34.073 1.00 1.09 C ATOM 130 CG PRO A 8 49.791 52.122 -34.787 1.00 1.12 C ATOM 131 CD PRO A 8 49.773 50.693 -34.235 1.00 0.97 C ATOM 0 HA PRO A 8 52.751 51.908 -33.340 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.475 53.729 -33.494 1.00 1.09 H new ATOM 0 HB3 PRO A 8 51.578 53.359 -34.805 1.00 1.09 H new ATOM 0 HG2 PRO A 8 48.825 52.601 -34.627 1.00 1.12 H new ATOM 0 HG3 PRO A 8 49.966 52.110 -35.863 1.00 1.12 H new ATOM 0 HD2 PRO A 8 48.875 50.495 -33.650 1.00 0.97 H new ATOM 0 HD3 PRO A 8 49.804 49.950 -35.032 1.00 0.97 H new ATOM 139 N LEU A 9 51.254 51.554 -30.768 1.00 0.78 N ATOM 140 CA LEU A 9 51.090 51.995 -29.360 1.00 0.82 C ATOM 141 C LEU A 9 52.141 51.344 -28.449 1.00 0.72 C ATOM 142 O LEU A 9 52.628 51.956 -27.519 1.00 0.84 O ATOM 143 CB LEU A 9 49.685 51.535 -28.963 1.00 0.87 C ATOM 144 CG LEU A 9 48.689 52.680 -29.148 1.00 1.12 C ATOM 145 CD1 LEU A 9 49.073 53.846 -28.237 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.706 53.143 -30.606 1.00 1.60 C ATOM 0 H LEU A 9 51.135 50.554 -30.929 1.00 0.78 H new ATOM 0 HA LEU A 9 51.220 53.073 -29.259 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.387 50.681 -29.572 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.682 51.203 -27.925 1.00 0.87 H new ATOM 0 HG LEU A 9 47.688 52.334 -28.889 1.00 1.12 H new ATOM 0 HD11 LEU A 9 48.362 54.661 -28.370 1.00 1.82 H new ATOM 0 HD12 LEU A 9 49.057 53.517 -27.198 1.00 1.82 H new ATOM 0 HD13 LEU A 9 50.074 54.193 -28.492 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.996 53.959 -30.737 1.00 1.60 H new ATOM 0 HD22 LEU A 9 49.707 53.488 -30.867 1.00 1.60 H new ATOM 0 HD23 LEU A 9 48.428 52.312 -31.255 1.00 1.60 H new ATOM 158 N PHE A 10 52.482 50.105 -28.689 1.00 0.57 N ATOM 159 CA PHE A 10 53.487 49.434 -27.807 1.00 0.55 C ATOM 160 C PHE A 10 54.650 48.878 -28.631 1.00 0.49 C ATOM 161 O PHE A 10 54.738 49.093 -29.824 1.00 0.52 O ATOM 162 CB PHE A 10 52.751 48.283 -27.081 1.00 0.62 C ATOM 163 CG PHE A 10 51.369 48.049 -27.662 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.385 49.032 -27.528 1.00 0.75 C ATOM 165 CD2 PHE A 10 51.078 46.852 -28.327 1.00 0.77 C ATOM 166 CE1 PHE A 10 49.108 48.825 -28.061 1.00 0.89 C ATOM 167 CE2 PHE A 10 49.800 46.643 -28.861 1.00 0.92 C ATOM 168 CZ PHE A 10 48.816 47.629 -28.727 1.00 0.94 C ATOM 0 H PHE A 10 52.114 49.532 -29.449 1.00 0.57 H new ATOM 0 HA PHE A 10 53.905 50.146 -27.095 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.339 47.368 -27.159 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.665 48.517 -26.020 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.611 49.953 -27.012 1.00 0.75 H new ATOM 0 HD2 PHE A 10 51.838 46.091 -28.428 1.00 0.77 H new ATOM 0 HE1 PHE A 10 48.349 49.587 -27.959 1.00 0.89 H new ATOM 0 HE2 PHE A 10 49.574 45.721 -29.376 1.00 0.92 H new ATOM 0 HZ PHE A 10 47.830 47.467 -29.138 1.00 0.94 H new ATOM 178 N TYR A 11 55.549 48.171 -27.996 1.00 0.47 N ATOM 179 CA TYR A 11 56.713 47.605 -28.737 1.00 0.44 C ATOM 180 C TYR A 11 57.114 46.241 -28.169 1.00 0.49 C ATOM 181 O TYR A 11 56.918 45.956 -27.003 1.00 0.62 O ATOM 182 CB TYR A 11 57.834 48.620 -28.540 1.00 0.42 C ATOM 183 CG TYR A 11 57.937 48.973 -27.074 1.00 0.44 C ATOM 184 CD1 TYR A 11 58.372 48.010 -26.156 1.00 0.70 C ATOM 185 CD2 TYR A 11 57.592 50.256 -26.632 1.00 0.69 C ATOM 186 CE1 TYR A 11 58.463 48.329 -24.796 1.00 0.76 C ATOM 187 CE2 TYR A 11 57.685 50.576 -25.270 1.00 0.80 C ATOM 188 CZ TYR A 11 58.120 49.611 -24.352 1.00 0.67 C ATOM 189 OH TYR A 11 58.209 49.927 -23.011 1.00 0.83 O ATOM 0 H TYR A 11 55.527 47.962 -26.998 1.00 0.47 H new ATOM 0 HA TYR A 11 56.484 47.442 -29.790 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.779 48.208 -28.894 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.636 49.516 -29.128 1.00 0.42 H new ATOM 0 HD1 TYR A 11 58.638 47.020 -26.497 1.00 0.70 H new ATOM 0 HD2 TYR A 11 57.254 50.999 -27.340 1.00 0.69 H new ATOM 0 HE1 TYR A 11 58.798 47.585 -24.089 1.00 0.76 H new ATOM 0 HE2 TYR A 11 57.421 51.566 -24.929 1.00 0.80 H new ATOM 0 HH TYR A 11 57.935 50.858 -22.875 1.00 0.83 H new ATOM 199 N LYS A 12 57.683 45.396 -28.990 1.00 0.50 N ATOM 200 CA LYS A 12 58.106 44.048 -28.508 1.00 0.59 C ATOM 201 C LYS A 12 59.466 44.144 -27.815 1.00 0.49 C ATOM 202 O LYS A 12 60.213 45.081 -28.011 1.00 0.49 O ATOM 203 CB LYS A 12 58.213 43.190 -29.772 1.00 0.74 C ATOM 204 CG LYS A 12 58.310 41.705 -29.402 1.00 1.20 C ATOM 205 CD LYS A 12 56.951 41.036 -29.614 1.00 1.50 C ATOM 206 CE LYS A 12 56.443 40.483 -28.280 1.00 1.68 C ATOM 207 NZ LYS A 12 55.937 39.118 -28.596 1.00 2.19 N ATOM 0 H LYS A 12 57.873 45.582 -29.975 1.00 0.50 H new ATOM 0 HA LYS A 12 57.405 43.627 -27.787 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.343 43.357 -30.408 1.00 0.74 H new ATOM 0 HB3 LYS A 12 59.090 43.486 -30.347 1.00 0.74 H new ATOM 0 HG2 LYS A 12 59.067 41.216 -30.014 1.00 1.20 H new ATOM 0 HG3 LYS A 12 58.622 41.598 -28.363 1.00 1.20 H new ATOM 0 HD2 LYS A 12 56.238 41.755 -30.017 1.00 1.50 H new ATOM 0 HD3 LYS A 12 57.039 40.231 -30.344 1.00 1.50 H new ATOM 0 HE2 LYS A 12 57.241 40.446 -27.538 1.00 1.68 H new ATOM 0 HE3 LYS A 12 55.653 41.111 -27.867 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 55.572 38.674 -27.729 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 55.174 39.185 -29.299 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 56.712 38.541 -28.980 1.00 2.19 H new ATOM 221 N THR A 13 59.786 43.175 -27.010 1.00 0.64 N ATOM 222 CA THR A 13 61.095 43.189 -26.297 1.00 0.62 C ATOM 223 C THR A 13 62.123 42.359 -27.069 1.00 0.66 C ATOM 224 O THR A 13 61.830 41.279 -27.543 1.00 0.75 O ATOM 225 CB THR A 13 60.803 42.548 -24.939 1.00 0.70 C ATOM 226 OG1 THR A 13 60.006 43.431 -24.163 1.00 1.06 O ATOM 227 CG2 THR A 13 62.116 42.267 -24.205 1.00 1.08 C ATOM 0 H THR A 13 59.195 42.367 -26.812 1.00 0.64 H new ATOM 0 HA THR A 13 61.506 44.194 -26.199 1.00 0.62 H new ATOM 0 HB THR A 13 60.269 41.610 -25.090 1.00 0.70 H new ATOM 0 HG1 THR A 13 59.816 43.021 -23.293 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.902 41.811 -23.239 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.727 41.588 -24.800 1.00 1.08 H new ATOM 0 HG23 THR A 13 62.655 43.202 -24.053 1.00 1.08 H new ATOM 235 N CYS A 14 63.324 42.850 -27.194 1.00 0.65 N ATOM 236 CA CYS A 14 64.366 42.077 -27.930 1.00 0.76 C ATOM 237 C CYS A 14 65.448 41.617 -26.951 1.00 0.87 C ATOM 238 O CYS A 14 66.089 42.432 -26.316 1.00 0.99 O ATOM 239 CB CYS A 14 64.966 43.038 -28.966 1.00 0.75 C ATOM 240 SG CYS A 14 63.688 44.119 -29.667 1.00 1.34 S ATOM 0 H CYS A 14 63.630 43.749 -26.821 1.00 0.65 H new ATOM 0 HA CYS A 14 63.947 41.193 -28.411 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.743 43.643 -28.499 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.442 42.468 -29.763 1.00 0.75 H new ATOM 245 N PRO A 15 65.620 40.324 -26.851 1.00 1.06 N ATOM 246 CA PRO A 15 66.635 39.760 -25.935 1.00 1.31 C ATOM 247 C PRO A 15 68.024 40.343 -26.220 1.00 1.16 C ATOM 248 O PRO A 15 68.239 41.011 -27.211 1.00 1.40 O ATOM 249 CB PRO A 15 66.581 38.267 -26.263 1.00 1.54 C ATOM 250 CG PRO A 15 65.529 38.034 -27.361 1.00 1.54 C ATOM 251 CD PRO A 15 64.819 39.358 -27.639 1.00 1.24 C ATOM 0 HA PRO A 15 66.445 39.981 -24.885 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.558 37.919 -26.598 1.00 1.54 H new ATOM 0 HB3 PRO A 15 66.328 37.694 -25.371 1.00 1.54 H new ATOM 0 HG2 PRO A 15 66.004 37.661 -28.268 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.811 37.278 -27.044 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.818 39.603 -28.701 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.778 39.336 -27.316 1.00 1.24 H new ATOM 259 N ALA A 16 68.963 40.089 -25.349 1.00 1.32 N ATOM 260 CA ALA A 16 70.343 40.623 -25.550 1.00 1.21 C ATOM 261 C ALA A 16 70.875 40.222 -26.929 1.00 0.92 C ATOM 262 O ALA A 16 70.611 39.140 -27.416 1.00 1.02 O ATOM 263 CB ALA A 16 71.178 39.973 -24.445 1.00 1.58 C ATOM 0 H ALA A 16 68.834 39.533 -24.504 1.00 1.32 H new ATOM 0 HA ALA A 16 70.375 41.712 -25.505 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.211 40.314 -24.521 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.774 40.253 -23.472 1.00 1.58 H new ATOM 0 HB3 ALA A 16 71.145 38.889 -24.554 1.00 1.58 H new ATOM 269 N GLY A 17 71.624 41.088 -27.560 1.00 0.84 N ATOM 270 CA GLY A 17 72.176 40.761 -28.907 1.00 0.75 C ATOM 271 C GLY A 17 71.149 41.100 -29.989 1.00 0.63 C ATOM 272 O GLY A 17 71.478 41.219 -31.152 1.00 0.83 O ATOM 0 H GLY A 17 71.877 42.008 -27.200 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.095 41.321 -29.078 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.433 39.703 -28.957 1.00 0.75 H new ATOM 276 N LYS A 18 69.907 41.249 -29.622 1.00 0.60 N ATOM 277 CA LYS A 18 68.871 41.566 -30.642 1.00 0.58 C ATOM 278 C LYS A 18 68.414 43.022 -30.509 1.00 0.59 C ATOM 279 O LYS A 18 67.418 43.318 -29.878 1.00 0.88 O ATOM 280 CB LYS A 18 67.722 40.604 -30.343 1.00 0.71 C ATOM 281 CG LYS A 18 66.764 40.572 -31.528 1.00 1.60 C ATOM 282 CD LYS A 18 65.758 39.437 -31.337 1.00 2.39 C ATOM 283 CE LYS A 18 66.246 38.197 -32.090 1.00 2.98 C ATOM 284 NZ LYS A 18 65.014 37.425 -32.412 1.00 3.59 N ATOM 0 H LYS A 18 69.566 41.165 -28.664 1.00 0.60 H new ATOM 0 HA LYS A 18 69.243 41.452 -31.660 1.00 0.58 H new ATOM 0 HB2 LYS A 18 68.112 39.605 -30.150 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.194 40.920 -29.443 1.00 0.71 H new ATOM 0 HG2 LYS A 18 66.242 41.525 -31.613 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.319 40.428 -32.455 1.00 1.60 H new ATOM 0 HD2 LYS A 18 65.644 39.211 -30.277 1.00 2.39 H new ATOM 0 HD3 LYS A 18 64.778 39.738 -31.706 1.00 2.39 H new ATOM 0 HE2 LYS A 18 66.785 38.473 -32.996 1.00 2.98 H new ATOM 0 HE3 LYS A 18 66.930 37.609 -31.478 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 65.264 36.596 -32.987 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 64.561 37.111 -31.530 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 64.355 38.029 -32.944 1.00 3.59 H new ATOM 298 N ASN A 19 69.126 43.931 -31.118 1.00 0.40 N ATOM 299 CA ASN A 19 68.736 45.361 -31.054 1.00 0.50 C ATOM 300 C ASN A 19 68.189 45.775 -32.417 1.00 0.47 C ATOM 301 O ASN A 19 68.047 46.943 -32.718 1.00 0.60 O ATOM 302 CB ASN A 19 70.038 46.109 -30.745 1.00 0.65 C ATOM 303 CG ASN A 19 71.091 45.754 -31.796 1.00 1.16 C ATOM 304 OD1 ASN A 19 70.855 44.930 -32.658 1.00 1.93 O ATOM 305 ND2 ASN A 19 72.255 46.346 -31.762 1.00 1.75 N ATOM 0 H ASN A 19 69.968 43.738 -31.661 1.00 0.40 H new ATOM 0 HA ASN A 19 67.970 45.569 -30.307 1.00 0.50 H new ATOM 0 HB2 ASN A 19 69.860 47.184 -30.742 1.00 0.65 H new ATOM 0 HB3 ASN A 19 70.396 45.842 -29.751 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.964 46.117 -32.458 1.00 1.75 H new ATOM 0 HD22 ASN A 19 72.454 47.038 -31.039 1.00 1.75 H new ATOM 312 N LEU A 20 67.902 44.811 -33.251 1.00 0.40 N ATOM 313 CA LEU A 20 67.390 45.119 -34.603 1.00 0.48 C ATOM 314 C LEU A 20 65.871 44.982 -34.658 1.00 0.38 C ATOM 315 O LEU A 20 65.302 44.045 -34.136 1.00 0.56 O ATOM 316 CB LEU A 20 68.045 44.072 -35.503 1.00 0.64 C ATOM 317 CG LEU A 20 68.750 44.749 -36.676 1.00 0.77 C ATOM 318 CD1 LEU A 20 70.049 45.389 -36.186 1.00 1.13 C ATOM 319 CD2 LEU A 20 69.069 43.701 -37.746 1.00 1.34 C ATOM 0 H LEU A 20 68.004 43.817 -33.045 1.00 0.40 H new ATOM 0 HA LEU A 20 67.619 46.141 -34.904 1.00 0.48 H new ATOM 0 HB2 LEU A 20 68.762 43.486 -34.928 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.291 43.378 -35.874 1.00 0.64 H new ATOM 0 HG LEU A 20 68.103 45.518 -37.099 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.554 45.873 -37.022 1.00 1.13 H new ATOM 0 HD12 LEU A 20 69.823 46.131 -35.420 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.698 44.620 -35.766 1.00 1.13 H new ATOM 0 HD21 LEU A 20 69.573 44.180 -38.586 1.00 1.34 H new ATOM 0 HD22 LEU A 20 69.718 42.935 -37.323 1.00 1.34 H new ATOM 0 HD23 LEU A 20 68.143 43.241 -38.092 1.00 1.34 H new ATOM 331 N CYS A 21 65.214 45.893 -35.311 1.00 0.29 N ATOM 332 CA CYS A 21 63.735 45.801 -35.433 1.00 0.31 C ATOM 333 C CYS A 21 63.401 45.370 -36.860 1.00 0.32 C ATOM 334 O CYS A 21 63.638 46.099 -37.806 1.00 0.49 O ATOM 335 CB CYS A 21 63.214 47.210 -35.145 1.00 0.44 C ATOM 336 SG CYS A 21 64.001 47.858 -33.646 1.00 0.57 S ATOM 0 H CYS A 21 65.638 46.701 -35.768 1.00 0.29 H new ATOM 0 HA CYS A 21 63.287 45.080 -34.750 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.424 47.866 -35.990 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.131 47.189 -35.019 1.00 0.44 H new ATOM 341 N TYR A 22 62.888 44.182 -37.032 1.00 0.30 N ATOM 342 CA TYR A 22 62.579 43.709 -38.409 1.00 0.31 C ATOM 343 C TYR A 22 61.092 43.851 -38.732 1.00 0.31 C ATOM 344 O TYR A 22 60.234 43.540 -37.931 1.00 0.41 O ATOM 345 CB TYR A 22 62.993 42.233 -38.442 1.00 0.36 C ATOM 346 CG TYR A 22 61.872 41.359 -37.926 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.766 41.073 -36.560 1.00 0.47 C ATOM 348 CD2 TYR A 22 60.948 40.825 -38.826 1.00 0.54 C ATOM 349 CE1 TYR A 22 60.734 40.254 -36.097 1.00 0.52 C ATOM 350 CE2 TYR A 22 59.912 40.008 -38.364 1.00 0.63 C ATOM 351 CZ TYR A 22 59.804 39.722 -36.998 1.00 0.55 C ATOM 352 OH TYR A 22 58.785 38.910 -36.542 1.00 0.66 O ATOM 0 H TYR A 22 62.671 43.524 -36.284 1.00 0.30 H new ATOM 0 HA TYR A 22 63.111 44.302 -39.153 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.249 41.943 -39.461 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.886 42.086 -37.835 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.482 41.485 -35.864 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.034 41.043 -39.880 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.653 40.031 -35.043 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.196 39.598 -39.060 1.00 0.63 H new ATOM 0 HH TYR A 22 58.547 39.166 -35.627 1.00 0.66 H new ATOM 362 N LYS A 23 60.791 44.275 -39.921 1.00 0.39 N ATOM 363 CA LYS A 23 59.373 44.394 -40.339 1.00 0.44 C ATOM 364 C LYS A 23 59.190 43.507 -41.576 1.00 0.45 C ATOM 365 O LYS A 23 59.893 43.659 -42.559 1.00 0.54 O ATOM 366 CB LYS A 23 59.171 45.875 -40.676 1.00 0.56 C ATOM 367 CG LYS A 23 60.122 46.285 -41.807 1.00 1.11 C ATOM 368 CD LYS A 23 60.936 47.514 -41.388 1.00 1.49 C ATOM 369 CE LYS A 23 60.591 48.689 -42.310 1.00 1.72 C ATOM 370 NZ LYS A 23 61.894 49.350 -42.612 1.00 2.18 N ATOM 0 H LYS A 23 61.473 44.547 -40.629 1.00 0.39 H new ATOM 0 HA LYS A 23 58.655 44.081 -39.581 1.00 0.44 H new ATOM 0 HB2 LYS A 23 58.138 46.052 -40.975 1.00 0.56 H new ATOM 0 HB3 LYS A 23 59.356 46.487 -39.793 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.792 45.459 -42.047 1.00 1.11 H new ATOM 0 HG3 LYS A 23 59.553 46.506 -42.710 1.00 1.11 H new ATOM 0 HD2 LYS A 23 60.717 47.773 -40.352 1.00 1.49 H new ATOM 0 HD3 LYS A 23 62.002 47.294 -41.443 1.00 1.49 H new ATOM 0 HE2 LYS A 23 60.105 48.343 -43.222 1.00 1.72 H new ATOM 0 HE3 LYS A 23 59.903 49.381 -41.824 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 61.759 50.380 -42.656 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 62.580 49.123 -41.864 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 62.253 49.008 -43.526 1.00 2.18 H new ATOM 384 N MET A 24 58.305 42.547 -41.529 1.00 0.47 N ATOM 385 CA MET A 24 58.162 41.629 -42.707 1.00 0.53 C ATOM 386 C MET A 24 56.812 41.788 -43.416 1.00 0.53 C ATOM 387 O MET A 24 55.764 41.823 -42.804 1.00 0.59 O ATOM 388 CB MET A 24 58.320 40.222 -42.120 1.00 0.63 C ATOM 389 CG MET A 24 57.620 39.190 -43.009 1.00 0.99 C ATOM 390 SD MET A 24 55.967 38.855 -42.353 1.00 1.69 S ATOM 391 CE MET A 24 55.072 38.980 -43.922 1.00 2.37 C ATOM 0 H MET A 24 57.683 42.357 -40.743 1.00 0.47 H new ATOM 0 HA MET A 24 58.904 41.849 -43.475 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.378 39.976 -42.030 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.899 40.191 -41.115 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.549 39.562 -44.031 1.00 0.99 H new ATOM 0 HG3 MET A 24 58.203 38.269 -43.045 1.00 0.99 H new ATOM 0 HE1 MET A 24 54.198 39.618 -43.792 1.00 2.37 H new ATOM 0 HE2 MET A 24 55.726 39.410 -44.681 1.00 2.37 H new ATOM 0 HE3 MET A 24 54.753 37.987 -44.239 1.00 2.37 H new ATOM 401 N PHE A 25 56.858 41.861 -44.723 1.00 0.53 N ATOM 402 CA PHE A 25 55.610 42.003 -45.532 1.00 0.58 C ATOM 403 C PHE A 25 55.803 41.350 -46.904 1.00 0.50 C ATOM 404 O PHE A 25 56.709 40.568 -47.107 1.00 0.49 O ATOM 405 CB PHE A 25 55.406 43.509 -45.706 1.00 0.70 C ATOM 406 CG PHE A 25 56.749 44.189 -45.873 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.532 44.455 -44.744 1.00 0.78 C ATOM 408 CD2 PHE A 25 57.213 44.557 -47.148 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.773 45.083 -44.882 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.457 45.189 -47.282 1.00 0.86 C ATOM 411 CZ PHE A 25 59.235 45.451 -46.148 1.00 0.70 C ATOM 0 H PHE A 25 57.718 41.828 -45.270 1.00 0.53 H new ATOM 0 HA PHE A 25 54.757 41.526 -45.050 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.779 43.703 -46.576 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.885 43.918 -44.840 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.176 44.174 -43.764 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.612 44.353 -48.022 1.00 0.84 H new ATOM 0 HE1 PHE A 25 59.376 45.284 -44.009 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.815 45.474 -48.260 1.00 0.86 H new ATOM 0 HZ PHE A 25 60.193 45.938 -46.252 1.00 0.70 H new ATOM 421 N MET A 26 54.971 41.689 -47.853 1.00 0.56 N ATOM 422 CA MET A 26 55.120 41.117 -49.220 1.00 0.61 C ATOM 423 C MET A 26 55.541 42.228 -50.190 1.00 0.69 C ATOM 424 O MET A 26 54.958 43.294 -50.210 1.00 1.30 O ATOM 425 CB MET A 26 53.738 40.573 -49.581 1.00 0.72 C ATOM 426 CG MET A 26 53.584 39.157 -49.013 1.00 0.91 C ATOM 427 SD MET A 26 51.834 38.698 -48.996 1.00 1.46 S ATOM 428 CE MET A 26 51.394 39.564 -47.471 1.00 1.96 C ATOM 0 H MET A 26 54.193 42.339 -47.738 1.00 0.56 H new ATOM 0 HA MET A 26 55.878 40.335 -49.271 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.962 41.224 -49.179 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.612 40.558 -50.664 1.00 0.72 H new ATOM 0 HG2 MET A 26 54.151 38.448 -49.617 1.00 0.91 H new ATOM 0 HG3 MET A 26 53.992 39.113 -48.003 1.00 0.91 H new ATOM 0 HE1 MET A 26 51.203 38.837 -46.682 1.00 1.96 H new ATOM 0 HE2 MET A 26 52.215 40.216 -47.173 1.00 1.96 H new ATOM 0 HE3 MET A 26 50.498 40.162 -47.638 1.00 1.96 H new ATOM 438 N VAL A 27 56.556 41.992 -50.980 1.00 0.76 N ATOM 439 CA VAL A 27 57.024 43.039 -51.940 1.00 0.80 C ATOM 440 C VAL A 27 55.828 43.783 -52.545 1.00 0.91 C ATOM 441 O VAL A 27 55.925 44.936 -52.915 1.00 1.08 O ATOM 442 CB VAL A 27 57.796 42.269 -53.018 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.045 43.167 -54.232 1.00 1.11 C ATOM 444 CG2 VAL A 27 59.142 41.820 -52.448 1.00 1.06 C ATOM 0 H VAL A 27 57.082 41.119 -51.003 1.00 0.76 H new ATOM 0 HA VAL A 27 57.645 43.795 -51.460 1.00 0.80 H new ATOM 0 HB VAL A 27 57.209 41.404 -53.325 1.00 0.93 H new ATOM 0 HG11 VAL A 27 58.594 42.609 -54.991 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.091 43.496 -54.643 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.628 44.036 -53.928 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.695 41.272 -53.210 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.717 42.694 -52.140 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.975 41.174 -51.586 1.00 1.06 H new ATOM 454 N ALA A 28 54.701 43.135 -52.642 1.00 0.94 N ATOM 455 CA ALA A 28 53.502 43.809 -53.216 1.00 1.10 C ATOM 456 C ALA A 28 53.309 45.185 -52.567 1.00 1.12 C ATOM 457 O ALA A 28 53.153 46.183 -53.242 1.00 1.33 O ATOM 458 CB ALA A 28 52.335 42.881 -52.877 1.00 1.15 C ATOM 0 H ALA A 28 54.558 42.169 -52.349 1.00 0.94 H new ATOM 0 HA ALA A 28 53.590 43.978 -54.289 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.409 43.304 -53.265 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.504 41.903 -53.329 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.259 42.773 -51.795 1.00 1.15 H new ATOM 464 N THR A 29 53.323 45.249 -51.265 1.00 1.00 N ATOM 465 CA THR A 29 53.141 46.563 -50.584 1.00 1.09 C ATOM 466 C THR A 29 54.324 46.847 -49.648 1.00 0.90 C ATOM 467 O THR A 29 54.294 46.481 -48.489 1.00 0.93 O ATOM 468 CB THR A 29 51.846 46.408 -49.782 1.00 1.33 C ATOM 469 OG1 THR A 29 52.085 45.568 -48.661 1.00 1.93 O ATOM 470 CG2 THR A 29 50.766 45.786 -50.669 1.00 1.85 C ATOM 0 H THR A 29 53.452 44.451 -50.643 1.00 1.00 H new ATOM 0 HA THR A 29 53.092 47.393 -51.289 1.00 1.09 H new ATOM 0 HB THR A 29 51.510 47.386 -49.438 1.00 1.33 H new ATOM 0 HG1 THR A 29 52.825 45.932 -48.131 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.844 45.676 -50.097 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.585 46.431 -51.529 1.00 1.85 H new ATOM 0 HG23 THR A 29 51.098 44.807 -51.014 1.00 1.85 H new ATOM 478 N PRO A 30 55.334 47.492 -50.183 1.00 0.99 N ATOM 479 CA PRO A 30 56.542 47.827 -49.388 1.00 1.03 C ATOM 480 C PRO A 30 56.207 48.828 -48.274 1.00 0.85 C ATOM 481 O PRO A 30 56.847 48.856 -47.241 1.00 0.90 O ATOM 482 CB PRO A 30 57.465 48.463 -50.436 1.00 1.44 C ATOM 483 CG PRO A 30 56.748 48.453 -51.800 1.00 1.67 C ATOM 484 CD PRO A 30 55.325 47.915 -51.603 1.00 1.36 C ATOM 0 HA PRO A 30 56.982 46.967 -48.884 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.715 49.484 -50.149 1.00 1.44 H new ATOM 0 HB3 PRO A 30 58.403 47.911 -50.498 1.00 1.44 H new ATOM 0 HG2 PRO A 30 56.717 49.459 -52.218 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.293 47.830 -52.509 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.572 48.680 -51.793 1.00 1.36 H new ATOM 0 HD3 PRO A 30 55.110 47.082 -52.273 1.00 1.36 H new ATOM 492 N LYS A 31 55.217 49.653 -48.478 1.00 0.96 N ATOM 493 CA LYS A 31 54.855 50.660 -47.436 1.00 1.02 C ATOM 494 C LYS A 31 53.839 50.093 -46.441 1.00 0.94 C ATOM 495 O LYS A 31 53.181 50.831 -45.736 1.00 1.09 O ATOM 496 CB LYS A 31 54.237 51.816 -48.218 1.00 1.39 C ATOM 497 CG LYS A 31 55.221 52.286 -49.286 1.00 1.90 C ATOM 498 CD LYS A 31 55.896 53.571 -48.814 1.00 2.38 C ATOM 499 CE LYS A 31 56.454 53.361 -47.405 1.00 2.81 C ATOM 500 NZ LYS A 31 57.614 52.442 -47.582 1.00 3.08 N ATOM 0 H LYS A 31 54.642 49.675 -49.320 1.00 0.96 H new ATOM 0 HA LYS A 31 55.722 50.961 -46.848 1.00 1.02 H new ATOM 0 HB2 LYS A 31 53.303 51.498 -48.682 1.00 1.39 H new ATOM 0 HB3 LYS A 31 53.994 52.638 -47.544 1.00 1.39 H new ATOM 0 HG2 LYS A 31 55.969 51.515 -49.473 1.00 1.90 H new ATOM 0 HG3 LYS A 31 54.700 52.459 -50.227 1.00 1.90 H new ATOM 0 HD2 LYS A 31 56.699 53.846 -49.498 1.00 2.38 H new ATOM 0 HD3 LYS A 31 55.180 54.393 -48.815 1.00 2.38 H new ATOM 0 HE2 LYS A 31 56.764 54.306 -46.958 1.00 2.81 H new ATOM 0 HE3 LYS A 31 55.704 52.927 -46.744 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 58.101 52.318 -46.671 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 57.277 51.519 -47.923 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 58.275 52.847 -48.275 1.00 3.08 H new ATOM 514 N VAL A 32 53.696 48.800 -46.374 1.00 0.83 N ATOM 515 CA VAL A 32 52.707 48.230 -45.414 1.00 0.87 C ATOM 516 C VAL A 32 53.283 46.997 -44.710 1.00 0.69 C ATOM 517 O VAL A 32 52.748 45.913 -44.833 1.00 0.70 O ATOM 518 CB VAL A 32 51.490 47.847 -46.260 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.256 47.753 -45.359 1.00 1.65 C ATOM 520 CG2 VAL A 32 51.252 48.912 -47.335 1.00 1.72 C ATOM 0 H VAL A 32 54.212 48.120 -46.933 1.00 0.83 H new ATOM 0 HA VAL A 32 52.448 48.944 -44.632 1.00 0.87 H new ATOM 0 HB VAL A 32 51.671 46.885 -46.738 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.388 47.480 -45.959 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.421 46.995 -44.594 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.079 48.717 -44.882 1.00 1.65 H new ATOM 0 HG21 VAL A 32 50.385 48.636 -47.935 1.00 1.72 H new ATOM 0 HG22 VAL A 32 51.072 49.876 -46.859 1.00 1.72 H new ATOM 0 HG23 VAL A 32 52.130 48.983 -47.977 1.00 1.72 H new ATOM 530 N PRO A 33 54.347 47.204 -43.971 1.00 0.67 N ATOM 531 CA PRO A 33 54.976 46.093 -43.223 1.00 0.65 C ATOM 532 C PRO A 33 53.946 45.491 -42.266 1.00 0.67 C ATOM 533 O PRO A 33 53.292 46.199 -41.526 1.00 0.79 O ATOM 534 CB PRO A 33 56.117 46.790 -42.478 1.00 0.82 C ATOM 535 CG PRO A 33 56.105 48.286 -42.846 1.00 0.91 C ATOM 536 CD PRO A 33 54.965 48.542 -43.841 1.00 0.84 C ATOM 0 HA PRO A 33 55.334 45.268 -43.839 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.998 46.665 -41.402 1.00 0.82 H new ATOM 0 HB3 PRO A 33 57.074 46.342 -42.747 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.968 48.894 -41.951 1.00 0.91 H new ATOM 0 HG3 PRO A 33 57.060 48.574 -43.284 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.257 49.281 -43.466 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.336 48.912 -44.797 1.00 0.84 H new ATOM 544 N VAL A 34 53.757 44.201 -42.302 1.00 0.64 N ATOM 545 CA VAL A 34 52.730 43.588 -41.422 1.00 0.72 C ATOM 546 C VAL A 34 53.330 42.992 -40.144 1.00 0.63 C ATOM 547 O VAL A 34 52.704 43.011 -39.106 1.00 0.79 O ATOM 548 CB VAL A 34 52.079 42.507 -42.273 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.442 43.151 -43.507 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.138 41.502 -42.711 1.00 1.19 C ATOM 0 H VAL A 34 54.267 43.550 -42.900 1.00 0.64 H new ATOM 0 HA VAL A 34 52.016 44.335 -41.076 1.00 0.72 H new ATOM 0 HB VAL A 34 51.312 41.995 -41.693 1.00 0.84 H new ATOM 0 HG11 VAL A 34 50.975 42.380 -44.119 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.687 43.872 -43.193 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.210 43.660 -44.089 1.00 1.32 H new ATOM 0 HG21 VAL A 34 52.674 40.727 -43.321 1.00 1.19 H new ATOM 0 HG22 VAL A 34 53.905 42.012 -43.294 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.594 41.047 -41.832 1.00 1.19 H new ATOM 560 N LYS A 35 54.520 42.454 -40.189 1.00 0.46 N ATOM 561 CA LYS A 35 55.084 41.870 -38.937 1.00 0.45 C ATOM 562 C LYS A 35 55.991 42.865 -38.231 1.00 0.39 C ATOM 563 O LYS A 35 56.716 43.623 -38.848 1.00 0.51 O ATOM 564 CB LYS A 35 55.889 40.660 -39.359 1.00 0.59 C ATOM 565 CG LYS A 35 56.483 39.995 -38.116 1.00 0.90 C ATOM 566 CD LYS A 35 55.362 39.360 -37.286 1.00 1.38 C ATOM 567 CE LYS A 35 54.806 38.133 -38.017 1.00 1.90 C ATOM 568 NZ LYS A 35 53.433 37.955 -37.465 1.00 2.50 N ATOM 0 H LYS A 35 55.114 42.394 -41.016 1.00 0.46 H new ATOM 0 HA LYS A 35 54.286 41.608 -38.242 1.00 0.45 H new ATOM 0 HB2 LYS A 35 55.254 39.955 -39.896 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.684 40.957 -40.043 1.00 0.59 H new ATOM 0 HG2 LYS A 35 57.207 39.235 -38.409 1.00 0.90 H new ATOM 0 HG3 LYS A 35 57.019 40.732 -37.518 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.742 39.070 -36.306 1.00 1.38 H new ATOM 0 HD3 LYS A 35 54.566 40.086 -37.117 1.00 1.38 H new ATOM 0 HE2 LYS A 35 54.782 38.291 -39.095 1.00 1.90 H new ATOM 0 HE3 LYS A 35 55.422 37.252 -37.838 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 52.982 37.133 -37.915 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 53.489 37.800 -36.438 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 52.869 38.807 -37.656 1.00 2.50 H new ATOM 582 N ARG A 36 55.951 42.834 -36.934 1.00 0.34 N ATOM 583 CA ARG A 36 56.794 43.751 -36.113 1.00 0.33 C ATOM 584 C ARG A 36 57.499 42.963 -35.007 1.00 0.36 C ATOM 585 O ARG A 36 56.885 42.570 -34.035 1.00 0.42 O ATOM 586 CB ARG A 36 55.808 44.741 -35.498 1.00 0.37 C ATOM 587 CG ARG A 36 56.102 46.160 -35.996 1.00 0.54 C ATOM 588 CD ARG A 36 55.934 46.220 -37.516 1.00 0.83 C ATOM 589 NE ARG A 36 54.751 47.098 -37.746 1.00 0.89 N ATOM 590 CZ ARG A 36 54.781 48.349 -37.367 1.00 1.07 C ATOM 591 NH1 ARG A 36 55.709 49.147 -37.823 1.00 1.27 N ATOM 592 NH2 ARG A 36 53.882 48.801 -36.533 1.00 1.76 N ATOM 0 H ARG A 36 55.360 42.202 -36.394 1.00 0.34 H new ATOM 0 HA ARG A 36 57.565 44.245 -36.704 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.788 44.460 -35.760 1.00 0.37 H new ATOM 0 HB3 ARG A 36 55.878 44.708 -34.411 1.00 0.37 H new ATOM 0 HG2 ARG A 36 55.427 46.870 -35.518 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.116 46.449 -35.721 1.00 0.54 H new ATOM 0 HD2 ARG A 36 56.825 46.627 -37.995 1.00 0.83 H new ATOM 0 HD3 ARG A 36 55.773 45.226 -37.934 1.00 0.83 H new ATOM 0 HE ARG A 36 53.918 46.723 -38.199 1.00 0.89 H new ATOM 0 HH11 ARG A 36 56.410 48.794 -38.475 1.00 1.27 H new ATOM 0 HH12 ARG A 36 55.733 50.123 -37.528 1.00 1.27 H new ATOM 0 HH21 ARG A 36 53.157 48.178 -36.178 1.00 1.76 H new ATOM 0 HH22 ARG A 36 53.906 49.777 -36.237 1.00 1.76 H new ATOM 606 N GLY A 37 58.775 42.716 -35.136 1.00 0.34 N ATOM 607 CA GLY A 37 59.470 41.942 -34.058 1.00 0.39 C ATOM 608 C GLY A 37 60.947 42.344 -33.941 1.00 0.38 C ATOM 609 O GLY A 37 61.385 43.328 -34.502 1.00 0.44 O ATOM 0 H GLY A 37 59.358 43.007 -35.921 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.969 42.112 -33.105 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.398 40.875 -34.270 1.00 0.39 H new ATOM 613 N CYS A 38 61.716 41.580 -33.197 1.00 0.40 N ATOM 614 CA CYS A 38 63.167 41.904 -33.017 1.00 0.41 C ATOM 615 C CYS A 38 64.062 40.925 -33.788 1.00 0.39 C ATOM 616 O CYS A 38 63.823 39.734 -33.810 1.00 0.42 O ATOM 617 CB CYS A 38 63.425 41.740 -31.517 1.00 0.52 C ATOM 618 SG CYS A 38 62.380 42.878 -30.579 1.00 1.14 S ATOM 0 H CYS A 38 61.398 40.744 -32.706 1.00 0.40 H new ATOM 0 HA CYS A 38 63.393 42.904 -33.388 1.00 0.41 H new ATOM 0 HB2 CYS A 38 63.220 40.713 -31.215 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.475 41.933 -31.297 1.00 0.52 H new ATOM 623 N ILE A 39 65.109 41.418 -34.398 1.00 0.38 N ATOM 624 CA ILE A 39 66.034 40.516 -35.139 1.00 0.39 C ATOM 625 C ILE A 39 67.478 40.760 -34.684 1.00 0.43 C ATOM 626 O ILE A 39 67.837 41.839 -34.255 1.00 0.48 O ATOM 627 CB ILE A 39 65.865 40.889 -36.622 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.768 40.014 -37.231 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.184 40.672 -37.382 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.907 39.964 -38.753 1.00 0.42 C ATOM 0 H ILE A 39 65.361 42.406 -34.414 1.00 0.38 H new ATOM 0 HA ILE A 39 65.814 39.463 -34.962 1.00 0.39 H new ATOM 0 HB ILE A 39 65.589 41.941 -36.701 1.00 0.38 H new ATOM 0 HG12 ILE A 39 64.829 39.006 -36.821 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.788 40.409 -36.962 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.049 40.940 -38.430 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.963 41.297 -36.945 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.477 39.625 -37.311 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.119 39.337 -39.170 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.822 40.972 -39.159 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.879 39.547 -39.016 1.00 0.42 H new ATOM 642 N ASP A 40 68.307 39.765 -34.811 1.00 0.48 N ATOM 643 CA ASP A 40 69.746 39.921 -34.442 1.00 0.56 C ATOM 644 C ASP A 40 70.562 39.865 -35.737 1.00 0.58 C ATOM 645 O ASP A 40 71.643 40.411 -35.841 1.00 0.67 O ATOM 646 CB ASP A 40 70.079 38.734 -33.536 1.00 0.67 C ATOM 647 CG ASP A 40 71.447 38.960 -32.888 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.273 39.612 -33.504 1.00 1.94 O ATOM 649 OD2 ASP A 40 71.645 38.474 -31.787 1.00 2.02 O ATOM 0 H ASP A 40 68.050 38.841 -35.157 1.00 0.48 H new ATOM 0 HA ASP A 40 69.964 40.859 -33.930 1.00 0.56 H new ATOM 0 HB2 ASP A 40 69.314 38.622 -32.768 1.00 0.67 H new ATOM 0 HB3 ASP A 40 70.086 37.811 -34.115 1.00 0.67 H new ATOM 654 N VAL A 41 70.006 39.221 -36.732 1.00 0.56 N ATOM 655 CA VAL A 41 70.664 39.114 -38.064 1.00 0.63 C ATOM 656 C VAL A 41 69.585 39.320 -39.137 1.00 0.58 C ATOM 657 O VAL A 41 68.657 38.545 -39.255 1.00 0.68 O ATOM 658 CB VAL A 41 71.254 37.694 -38.115 1.00 0.76 C ATOM 659 CG1 VAL A 41 70.169 36.675 -38.477 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.360 37.640 -39.170 1.00 1.57 C ATOM 0 H VAL A 41 69.101 38.754 -36.672 1.00 0.56 H new ATOM 0 HA VAL A 41 71.448 39.853 -38.231 1.00 0.63 H new ATOM 0 HB VAL A 41 71.659 37.449 -37.133 1.00 0.76 H new ATOM 0 HG11 VAL A 41 70.604 35.676 -38.509 1.00 1.54 H new ATOM 0 HG12 VAL A 41 69.379 36.703 -37.727 1.00 1.54 H new ATOM 0 HG13 VAL A 41 69.751 36.920 -39.454 1.00 1.54 H new ATOM 0 HG21 VAL A 41 72.779 36.634 -39.207 1.00 1.57 H new ATOM 0 HG22 VAL A 41 71.946 37.897 -40.145 1.00 1.57 H new ATOM 0 HG23 VAL A 41 73.145 38.351 -38.911 1.00 1.57 H new ATOM 670 N CYS A 42 69.663 40.380 -39.891 1.00 0.72 N ATOM 671 CA CYS A 42 68.602 40.632 -40.907 1.00 0.76 C ATOM 672 C CYS A 42 68.696 39.651 -42.075 1.00 0.76 C ATOM 673 O CYS A 42 69.671 39.648 -42.800 1.00 0.90 O ATOM 674 CB CYS A 42 68.839 42.054 -41.400 1.00 1.00 C ATOM 675 SG CYS A 42 67.379 42.603 -42.312 1.00 1.13 S ATOM 0 H CYS A 42 70.407 41.077 -39.850 1.00 0.72 H new ATOM 0 HA CYS A 42 67.611 40.501 -40.473 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.030 42.719 -40.558 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.720 42.090 -42.041 1.00 1.00 H new ATOM 680 N PRO A 43 67.664 38.860 -42.242 1.00 0.70 N ATOM 681 CA PRO A 43 67.633 37.893 -43.352 1.00 0.80 C ATOM 682 C PRO A 43 67.680 38.628 -44.691 1.00 0.89 C ATOM 683 O PRO A 43 67.935 39.814 -44.758 1.00 0.97 O ATOM 684 CB PRO A 43 66.283 37.206 -43.170 1.00 0.80 C ATOM 685 CG PRO A 43 65.574 37.816 -41.948 1.00 0.72 C ATOM 686 CD PRO A 43 66.487 38.881 -41.337 1.00 0.65 C ATOM 0 HA PRO A 43 68.474 37.199 -43.349 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.672 37.334 -44.063 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.421 36.134 -43.029 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.622 38.258 -42.244 1.00 0.72 H new ATOM 0 HG3 PRO A 43 65.351 37.042 -41.214 1.00 0.72 H new ATOM 0 HD2 PRO A 43 66.009 39.861 -41.317 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.761 38.639 -40.310 1.00 0.65 H new ATOM 694 N LYS A 44 67.420 37.931 -45.756 1.00 1.04 N ATOM 695 CA LYS A 44 67.437 38.582 -47.091 1.00 1.19 C ATOM 696 C LYS A 44 66.064 38.454 -47.755 1.00 1.07 C ATOM 697 O LYS A 44 65.195 37.752 -47.280 1.00 1.52 O ATOM 698 CB LYS A 44 68.502 37.834 -47.889 1.00 1.53 C ATOM 699 CG LYS A 44 68.256 36.326 -47.788 1.00 2.08 C ATOM 700 CD LYS A 44 69.327 35.574 -48.581 1.00 2.77 C ATOM 701 CE LYS A 44 70.142 34.687 -47.633 1.00 3.61 C ATOM 702 NZ LYS A 44 69.322 33.458 -47.452 1.00 4.19 N ATOM 0 H LYS A 44 67.196 36.936 -45.761 1.00 1.04 H new ATOM 0 HA LYS A 44 67.659 39.647 -47.030 1.00 1.19 H new ATOM 0 HB2 LYS A 44 68.476 38.148 -48.933 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.494 38.077 -47.508 1.00 1.53 H new ATOM 0 HG2 LYS A 44 68.277 36.014 -46.744 1.00 2.08 H new ATOM 0 HG3 LYS A 44 67.266 36.083 -48.174 1.00 2.08 H new ATOM 0 HD2 LYS A 44 68.860 34.964 -49.354 1.00 2.77 H new ATOM 0 HD3 LYS A 44 69.983 36.282 -49.087 1.00 2.77 H new ATOM 0 HE2 LYS A 44 71.118 34.451 -48.056 1.00 3.61 H new ATOM 0 HE3 LYS A 44 70.319 35.186 -46.681 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 69.816 32.802 -46.814 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 68.401 33.713 -47.041 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 69.175 33.000 -48.374 1.00 4.19 H new ATOM 716 N SER A 45 65.861 39.133 -48.847 1.00 1.01 N ATOM 717 CA SER A 45 64.546 39.052 -49.539 1.00 0.93 C ATOM 718 C SER A 45 64.272 37.615 -49.983 1.00 0.94 C ATOM 719 O SER A 45 65.139 36.765 -49.941 1.00 1.20 O ATOM 720 CB SER A 45 64.680 39.980 -50.744 1.00 1.04 C ATOM 721 OG SER A 45 66.017 39.934 -51.227 1.00 1.64 O ATOM 0 H SER A 45 66.549 39.741 -49.291 1.00 1.01 H new ATOM 0 HA SER A 45 63.716 39.343 -48.895 1.00 0.93 H new ATOM 0 HB2 SER A 45 63.987 39.678 -51.529 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.418 41.000 -50.463 1.00 1.04 H new ATOM 0 HG SER A 45 66.106 40.528 -52.002 1.00 1.64 H new ATOM 727 N SER A 46 63.069 37.336 -50.400 1.00 0.84 N ATOM 728 CA SER A 46 62.736 35.954 -50.841 1.00 1.02 C ATOM 729 C SER A 46 61.995 35.995 -52.183 1.00 1.10 C ATOM 730 O SER A 46 62.113 36.941 -52.936 1.00 1.66 O ATOM 731 CB SER A 46 61.860 35.391 -49.715 1.00 1.08 C ATOM 732 OG SER A 46 60.676 34.811 -50.247 1.00 1.49 O ATOM 0 H SER A 46 62.302 38.006 -50.454 1.00 0.84 H new ATOM 0 HA SER A 46 63.615 35.331 -51.005 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.418 34.642 -49.152 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.600 36.186 -49.016 1.00 1.08 H new ATOM 0 HG SER A 46 60.293 34.190 -49.592 1.00 1.49 H new ATOM 738 N LEU A 47 61.255 34.973 -52.501 1.00 1.13 N ATOM 739 CA LEU A 47 60.533 34.950 -53.799 1.00 1.25 C ATOM 740 C LEU A 47 59.366 35.953 -53.816 1.00 0.98 C ATOM 741 O LEU A 47 59.160 36.645 -54.794 1.00 1.23 O ATOM 742 CB LEU A 47 60.018 33.516 -53.931 1.00 1.60 C ATOM 743 CG LEU A 47 61.190 32.532 -53.884 1.00 2.09 C ATOM 744 CD1 LEU A 47 60.658 31.108 -54.063 1.00 2.75 C ATOM 745 CD2 LEU A 47 62.183 32.849 -55.006 1.00 2.50 C ATOM 0 H LEU A 47 61.119 34.149 -51.915 1.00 1.13 H new ATOM 0 HA LEU A 47 61.182 35.238 -54.626 1.00 1.25 H new ATOM 0 HB2 LEU A 47 59.316 33.297 -53.126 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.474 33.401 -54.868 1.00 1.60 H new ATOM 0 HG LEU A 47 61.697 32.620 -52.923 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.488 30.403 -54.030 1.00 2.75 H new ATOM 0 HD12 LEU A 47 59.955 30.879 -53.262 1.00 2.75 H new ATOM 0 HD13 LEU A 47 60.151 31.027 -55.024 1.00 2.75 H new ATOM 0 HD21 LEU A 47 63.014 32.145 -54.966 1.00 2.50 H new ATOM 0 HD22 LEU A 47 61.682 32.764 -55.970 1.00 2.50 H new ATOM 0 HD23 LEU A 47 62.561 33.864 -54.881 1.00 2.50 H new ATOM 757 N LEU A 48 58.593 36.046 -52.756 1.00 0.79 N ATOM 758 CA LEU A 48 57.452 37.021 -52.771 1.00 0.85 C ATOM 759 C LEU A 48 57.283 37.741 -51.423 1.00 0.71 C ATOM 760 O LEU A 48 56.189 38.117 -51.051 1.00 0.92 O ATOM 761 CB LEU A 48 56.169 36.232 -53.122 1.00 1.16 C ATOM 762 CG LEU A 48 56.185 34.769 -52.630 1.00 1.67 C ATOM 763 CD1 LEU A 48 56.996 33.892 -53.583 1.00 2.36 C ATOM 764 CD2 LEU A 48 56.753 34.657 -51.211 1.00 2.47 C ATOM 0 H LEU A 48 58.699 35.502 -51.899 1.00 0.79 H new ATOM 0 HA LEU A 48 57.653 37.796 -53.511 1.00 0.85 H new ATOM 0 HB2 LEU A 48 55.309 36.742 -52.688 1.00 1.16 H new ATOM 0 HB3 LEU A 48 56.032 36.241 -54.203 1.00 1.16 H new ATOM 0 HG LEU A 48 55.152 34.420 -52.611 1.00 1.67 H new ATOM 0 HD11 LEU A 48 56.996 32.864 -53.220 1.00 2.36 H new ATOM 0 HD12 LEU A 48 56.550 33.926 -54.577 1.00 2.36 H new ATOM 0 HD13 LEU A 48 58.021 34.260 -53.632 1.00 2.36 H new ATOM 0 HD21 LEU A 48 56.748 33.613 -50.899 1.00 2.47 H new ATOM 0 HD22 LEU A 48 57.775 35.035 -51.197 1.00 2.47 H new ATOM 0 HD23 LEU A 48 56.140 35.243 -50.526 1.00 2.47 H new ATOM 776 N VAL A 49 58.344 37.950 -50.693 1.00 0.54 N ATOM 777 CA VAL A 49 58.211 38.661 -49.387 1.00 0.49 C ATOM 778 C VAL A 49 59.482 39.463 -49.096 1.00 0.42 C ATOM 779 O VAL A 49 60.567 39.089 -49.495 1.00 0.58 O ATOM 780 CB VAL A 49 57.998 37.564 -48.343 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.213 36.636 -48.317 1.00 0.99 C ATOM 782 CG2 VAL A 49 57.814 38.212 -46.968 1.00 1.13 C ATOM 0 H VAL A 49 59.291 37.662 -50.940 1.00 0.54 H new ATOM 0 HA VAL A 49 57.384 39.371 -49.385 1.00 0.49 H new ATOM 0 HB VAL A 49 57.111 36.983 -48.596 1.00 0.65 H new ATOM 0 HG11 VAL A 49 59.059 35.855 -47.572 1.00 0.99 H new ATOM 0 HG12 VAL A 49 59.344 36.180 -49.299 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.104 37.210 -48.062 1.00 0.99 H new ATOM 0 HG21 VAL A 49 57.661 37.436 -46.218 1.00 1.13 H new ATOM 0 HG22 VAL A 49 58.703 38.790 -46.716 1.00 1.13 H new ATOM 0 HG23 VAL A 49 56.946 38.871 -46.990 1.00 1.13 H new ATOM 792 N LYS A 50 59.357 40.580 -48.428 1.00 0.40 N ATOM 793 CA LYS A 50 60.566 41.411 -48.151 1.00 0.42 C ATOM 794 C LYS A 50 60.518 42.050 -46.756 1.00 0.44 C ATOM 795 O LYS A 50 59.538 42.662 -46.377 1.00 0.55 O ATOM 796 CB LYS A 50 60.514 42.505 -49.218 1.00 0.57 C ATOM 797 CG LYS A 50 61.875 43.191 -49.317 1.00 1.02 C ATOM 798 CD LYS A 50 62.162 43.530 -50.777 1.00 1.41 C ATOM 799 CE LYS A 50 63.402 44.425 -50.860 1.00 1.74 C ATOM 800 NZ LYS A 50 62.920 45.784 -50.475 1.00 2.40 N ATOM 0 H LYS A 50 58.479 40.950 -48.065 1.00 0.40 H new ATOM 0 HA LYS A 50 61.477 40.813 -48.177 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.242 42.074 -50.182 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.745 43.235 -48.967 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.883 44.098 -48.712 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.654 42.538 -48.923 1.00 1.02 H new ATOM 0 HD2 LYS A 50 62.321 42.616 -51.349 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.304 44.037 -51.219 1.00 1.41 H new ATOM 0 HE2 LYS A 50 64.186 44.078 -50.186 1.00 1.74 H new ATOM 0 HE3 LYS A 50 63.823 44.425 -51.865 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 63.220 46.475 -51.192 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 61.882 45.779 -50.412 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 63.322 46.046 -49.552 1.00 2.40 H new ATOM 814 N TYR A 51 61.588 41.949 -46.003 1.00 0.44 N ATOM 815 CA TYR A 51 61.614 42.594 -44.653 1.00 0.52 C ATOM 816 C TYR A 51 62.865 43.460 -44.515 1.00 0.45 C ATOM 817 O TYR A 51 63.842 43.278 -45.213 1.00 0.59 O ATOM 818 CB TYR A 51 61.646 41.494 -43.570 1.00 0.73 C ATOM 819 CG TYR A 51 61.856 40.108 -44.140 1.00 0.50 C ATOM 820 CD1 TYR A 51 60.961 39.587 -45.077 1.00 0.69 C ATOM 821 CD2 TYR A 51 62.936 39.331 -43.696 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.144 38.295 -45.581 1.00 0.76 C ATOM 823 CE2 TYR A 51 63.115 38.037 -44.198 1.00 1.19 C ATOM 824 CZ TYR A 51 62.221 37.520 -45.141 1.00 1.05 C ATOM 825 OH TYR A 51 62.400 36.244 -45.634 1.00 1.47 O ATOM 0 H TYR A 51 62.439 41.451 -46.263 1.00 0.44 H new ATOM 0 HA TYR A 51 60.727 43.216 -44.534 1.00 0.52 H new ATOM 0 HB2 TYR A 51 62.444 41.714 -42.861 1.00 0.73 H new ATOM 0 HB3 TYR A 51 60.709 41.513 -43.013 1.00 0.73 H new ATOM 0 HD1 TYR A 51 60.126 40.183 -45.413 1.00 0.69 H new ATOM 0 HD2 TYR A 51 63.628 39.730 -42.969 1.00 0.82 H new ATOM 0 HE1 TYR A 51 60.454 37.896 -46.310 1.00 0.76 H new ATOM 0 HE2 TYR A 51 63.945 37.436 -43.857 1.00 1.19 H new ATOM 0 HH TYR A 51 63.196 35.844 -45.225 1.00 1.47 H new ATOM 835 N VAL A 52 62.844 44.384 -43.598 1.00 0.44 N ATOM 836 CA VAL A 52 64.035 45.257 -43.381 1.00 0.49 C ATOM 837 C VAL A 52 64.349 45.283 -41.888 1.00 0.43 C ATOM 838 O VAL A 52 63.460 45.210 -41.064 1.00 0.56 O ATOM 839 CB VAL A 52 63.658 46.664 -43.872 1.00 0.69 C ATOM 840 CG1 VAL A 52 64.817 47.236 -44.689 1.00 1.02 C ATOM 841 CG2 VAL A 52 62.401 46.625 -44.751 1.00 0.82 C ATOM 0 H VAL A 52 62.051 44.575 -42.985 1.00 0.44 H new ATOM 0 HA VAL A 52 64.911 44.894 -43.918 1.00 0.49 H new ATOM 0 HB VAL A 52 63.455 47.289 -43.003 1.00 0.69 H new ATOM 0 HG11 VAL A 52 64.556 48.234 -45.041 1.00 1.02 H new ATOM 0 HG12 VAL A 52 65.709 47.292 -44.065 1.00 1.02 H new ATOM 0 HG13 VAL A 52 65.013 46.590 -45.545 1.00 1.02 H new ATOM 0 HG21 VAL A 52 62.158 47.634 -45.084 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.583 45.991 -45.619 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.567 46.222 -44.176 1.00 0.82 H new ATOM 851 N CYS A 53 65.594 45.367 -41.523 1.00 0.44 N ATOM 852 CA CYS A 53 65.925 45.374 -40.069 1.00 0.47 C ATOM 853 C CYS A 53 66.876 46.524 -39.743 1.00 0.46 C ATOM 854 O CYS A 53 67.913 46.681 -40.356 1.00 0.68 O ATOM 855 CB CYS A 53 66.602 44.028 -39.780 1.00 0.73 C ATOM 856 SG CYS A 53 65.961 42.737 -40.882 1.00 1.39 S ATOM 0 H CYS A 53 66.391 45.431 -42.157 1.00 0.44 H new ATOM 0 HA CYS A 53 65.031 45.511 -39.460 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.680 44.122 -39.911 1.00 0.73 H new ATOM 0 HB3 CYS A 53 66.430 43.745 -38.742 1.00 0.73 H new ATOM 861 N CYS A 54 66.529 47.328 -38.780 1.00 0.39 N ATOM 862 CA CYS A 54 67.412 48.469 -38.408 1.00 0.51 C ATOM 863 C CYS A 54 68.165 48.131 -37.117 1.00 0.48 C ATOM 864 O CYS A 54 67.676 47.390 -36.305 1.00 0.46 O ATOM 865 CB CYS A 54 66.452 49.648 -38.175 1.00 0.68 C ATOM 866 SG CYS A 54 65.929 49.696 -36.431 1.00 1.08 S ATOM 0 H CYS A 54 65.672 47.246 -38.233 1.00 0.39 H new ATOM 0 HA CYS A 54 68.156 48.695 -39.172 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.943 50.584 -38.441 1.00 0.68 H new ATOM 0 HB3 CYS A 54 65.580 49.550 -38.821 1.00 0.68 H new ATOM 871 N ASN A 55 69.306 48.707 -36.896 1.00 0.52 N ATOM 872 CA ASN A 55 70.027 48.441 -35.619 1.00 0.55 C ATOM 873 C ASN A 55 69.705 49.578 -34.656 1.00 0.54 C ATOM 874 O ASN A 55 70.499 50.472 -34.439 1.00 0.61 O ATOM 875 CB ASN A 55 71.517 48.416 -35.971 1.00 0.67 C ATOM 876 CG ASN A 55 71.856 49.591 -36.887 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.515 49.371 -37.992 1.00 2.23 O flip ATOM 878 ND2 ASN A 55 71.516 50.721 -36.598 1.00 2.32 N flip ATOM 0 H ASN A 55 69.773 49.348 -37.537 1.00 0.52 H new ATOM 0 HA ASN A 55 69.739 47.501 -35.148 1.00 0.55 H new ATOM 0 HB2 ASN A 55 72.115 48.469 -35.061 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.767 47.476 -36.463 1.00 0.67 H new ATOM 0 HD21 ASN A 55 71.001 50.894 -35.735 1.00 2.32 H new ATOM 0 HD22 ASN A 55 71.746 51.497 -37.219 1.00 2.32 H new ATOM 885 N THR A 56 68.522 49.564 -34.103 1.00 0.49 N ATOM 886 CA THR A 56 68.121 50.672 -33.180 1.00 0.50 C ATOM 887 C THR A 56 67.134 50.193 -32.112 1.00 0.48 C ATOM 888 O THR A 56 66.659 49.074 -32.138 1.00 0.57 O ATOM 889 CB THR A 56 67.461 51.714 -34.084 1.00 0.54 C ATOM 890 OG1 THR A 56 67.806 51.457 -35.438 1.00 1.15 O ATOM 891 CG2 THR A 56 67.943 53.111 -33.687 1.00 1.16 C ATOM 0 H THR A 56 67.818 48.840 -34.247 1.00 0.49 H new ATOM 0 HA THR A 56 68.980 51.067 -32.638 1.00 0.50 H new ATOM 0 HB THR A 56 66.378 51.659 -33.972 1.00 0.54 H new ATOM 0 HG1 THR A 56 67.020 51.123 -35.918 1.00 1.15 H new ATOM 0 HG21 THR A 56 67.473 53.855 -34.331 1.00 1.16 H new ATOM 0 HG22 THR A 56 67.674 53.307 -32.649 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.026 53.167 -33.798 1.00 1.16 H new ATOM 899 N ASP A 57 66.812 51.053 -31.179 1.00 0.58 N ATOM 900 CA ASP A 57 65.846 50.683 -30.105 1.00 0.60 C ATOM 901 C ASP A 57 64.456 51.225 -30.454 1.00 0.59 C ATOM 902 O ASP A 57 64.227 52.417 -30.449 1.00 0.72 O ATOM 903 CB ASP A 57 66.372 51.358 -28.838 1.00 0.71 C ATOM 904 CG ASP A 57 65.334 51.222 -27.722 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.807 50.133 -27.562 1.00 1.47 O ATOM 906 OD2 ASP A 57 65.079 52.207 -27.050 1.00 1.70 O ATOM 0 H ASP A 57 67.181 52.002 -31.117 1.00 0.58 H new ATOM 0 HA ASP A 57 65.758 49.604 -29.982 1.00 0.60 H new ATOM 0 HB2 ASP A 57 67.313 50.900 -28.533 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.578 52.411 -29.032 1.00 0.71 H new ATOM 911 N ARG A 58 63.530 50.360 -30.760 1.00 0.56 N ATOM 912 CA ARG A 58 62.158 50.824 -31.114 1.00 0.61 C ATOM 913 C ARG A 58 62.191 51.689 -32.378 1.00 0.60 C ATOM 914 O ARG A 58 61.918 52.872 -32.335 1.00 0.87 O ATOM 915 CB ARG A 58 61.691 51.652 -29.915 1.00 0.73 C ATOM 916 CG ARG A 58 60.253 51.263 -29.554 1.00 0.93 C ATOM 917 CD ARG A 58 59.289 51.834 -30.599 1.00 1.16 C ATOM 918 NE ARG A 58 58.320 52.662 -29.831 1.00 1.10 N ATOM 919 CZ ARG A 58 58.277 53.954 -30.011 1.00 1.34 C ATOM 920 NH1 ARG A 58 59.240 54.706 -29.559 1.00 1.52 N ATOM 921 NH2 ARG A 58 57.271 54.491 -30.643 1.00 1.91 N ATOM 0 H ARG A 58 63.664 49.349 -30.780 1.00 0.56 H new ATOM 0 HA ARG A 58 61.489 49.989 -31.320 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.350 51.482 -29.063 1.00 0.73 H new ATOM 0 HB3 ARG A 58 61.743 52.715 -30.151 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.159 50.178 -29.512 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.000 51.644 -28.564 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.820 52.434 -31.337 1.00 1.16 H new ATOM 0 HD3 ARG A 58 58.781 51.037 -31.142 1.00 1.16 H new ATOM 0 HE ARG A 58 57.689 52.219 -29.163 1.00 1.10 H new ATOM 0 HH11 ARG A 58 60.027 54.285 -29.065 1.00 1.52 H new ATOM 0 HH12 ARG A 58 59.207 55.716 -29.699 1.00 1.52 H new ATOM 0 HH21 ARG A 58 56.518 53.901 -30.997 1.00 1.91 H new ATOM 0 HH22 ARG A 58 57.237 55.501 -30.784 1.00 1.91 H new ATOM 935 N CYS A 59 62.523 51.115 -33.507 1.00 0.44 N ATOM 936 CA CYS A 59 62.566 51.923 -34.761 1.00 0.47 C ATOM 937 C CYS A 59 61.480 51.440 -35.733 1.00 0.60 C ATOM 938 O CYS A 59 60.872 52.216 -36.444 1.00 1.14 O ATOM 939 CB CYS A 59 63.977 51.695 -35.333 1.00 0.42 C ATOM 940 SG CYS A 59 64.002 50.269 -36.458 1.00 0.84 S ATOM 0 H CYS A 59 62.764 50.130 -33.613 1.00 0.44 H new ATOM 0 HA CYS A 59 62.376 52.982 -34.588 1.00 0.47 H new ATOM 0 HB2 CYS A 59 64.306 52.588 -35.865 1.00 0.42 H new ATOM 0 HB3 CYS A 59 64.682 51.532 -34.518 1.00 0.42 H new ATOM 945 N ASN A 60 61.247 50.153 -35.774 1.00 0.52 N ATOM 946 CA ASN A 60 60.215 49.605 -36.701 1.00 0.55 C ATOM 947 C ASN A 60 58.813 49.957 -36.201 1.00 0.71 C ATOM 948 O ASN A 60 57.980 49.068 -36.164 1.00 1.39 O ATOM 949 CB ASN A 60 60.433 48.088 -36.691 1.00 0.41 C ATOM 950 CG ASN A 60 59.877 47.488 -35.397 1.00 0.36 C ATOM 951 OD1 ASN A 60 59.896 48.120 -34.362 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.383 46.279 -35.411 1.00 0.40 N ATOM 953 OXT ASN A 60 58.599 51.109 -35.863 1.00 1.25 O ATOM 0 H ASN A 60 61.729 49.458 -35.204 1.00 0.52 H new ATOM 0 HA ASN A 60 60.302 50.018 -37.706 1.00 0.55 H new ATOM 0 HB2 ASN A 60 59.941 47.636 -37.552 1.00 0.41 H new ATOM 0 HB3 ASN A 60 61.496 47.864 -36.778 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.014 45.869 -34.553 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.366 45.745 -36.280 1.00 0.40 H new