USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 ASP N :NH3+ 174:sc= 0 (180deg=-0.034) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0316) USER MOD Single : A 8 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.22) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -1.74! USER MOD Single : A 35 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.24) USER MOD Single : A 38 GLN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.0181 (180deg=-0.165) USER MOD Single : A 51 THR OG1 : rot -0:sc= -0.0813! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.121 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.147 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0962 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 39.973 3.316 -8.267 1.00 0.00 N ATOM 2 CA ASP A 1 41.294 2.963 -8.851 1.00 0.00 C ATOM 3 C ASP A 1 42.270 4.130 -8.750 1.00 0.00 C ATOM 4 O ASP A 1 43.000 4.427 -9.696 1.00 0.00 O ATOM 5 CB ASP A 1 41.090 2.567 -10.314 1.00 0.00 C ATOM 6 CG ASP A 1 41.384 1.100 -10.562 1.00 0.00 C ATOM 7 OD1 ASP A 1 40.841 0.252 -9.824 1.00 0.00 O ATOM 8 OD2 ASP A 1 42.156 0.800 -11.497 1.00 0.00 O ATOM 0 H1 ASP A 1 39.299 2.543 -8.440 1.00 0.00 H new ATOM 0 H2 ASP A 1 40.075 3.464 -7.243 1.00 0.00 H new ATOM 0 H3 ASP A 1 39.620 4.188 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 1 41.722 2.130 -8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 1 40.062 2.783 -10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 1 41.736 3.176 -10.946 1.00 0.00 H new ATOM 15 N TYR A 2 42.278 4.790 -7.596 1.00 0.00 N ATOM 16 CA TYR A 2 43.165 5.926 -7.370 1.00 0.00 C ATOM 17 C TYR A 2 43.894 5.792 -6.037 1.00 0.00 C ATOM 18 O TYR A 2 43.263 5.704 -4.984 1.00 0.00 O ATOM 19 CB TYR A 2 42.372 7.233 -7.401 1.00 0.00 C ATOM 20 CG TYR A 2 42.033 7.704 -8.798 1.00 0.00 C ATOM 21 CD1 TYR A 2 42.947 8.435 -9.545 1.00 0.00 C ATOM 22 CD2 TYR A 2 40.798 7.418 -9.367 1.00 0.00 C ATOM 23 CE1 TYR A 2 42.641 8.867 -10.821 1.00 0.00 C ATOM 24 CE2 TYR A 2 40.486 7.846 -10.643 1.00 0.00 C ATOM 25 CZ TYR A 2 41.409 8.571 -11.366 1.00 0.00 C ATOM 26 OH TYR A 2 41.102 9.000 -12.636 1.00 0.00 O ATOM 0 H TYR A 2 41.680 4.558 -6.803 1.00 0.00 H new ATOM 0 HA TYR A 2 43.906 5.939 -8.169 1.00 0.00 H new ATOM 0 HB2 TYR A 2 41.449 7.101 -6.837 1.00 0.00 H new ATOM 0 HB3 TYR A 2 42.947 8.009 -6.895 1.00 0.00 H new ATOM 0 HD1 TYR A 2 43.913 8.670 -9.122 1.00 0.00 H new ATOM 0 HD2 TYR A 2 40.071 6.852 -8.803 1.00 0.00 H new ATOM 0 HE1 TYR A 2 43.363 9.434 -11.389 1.00 0.00 H new ATOM 0 HE2 TYR A 2 39.523 7.613 -11.072 1.00 0.00 H new ATOM 0 HH TYR A 2 40.197 8.707 -12.870 1.00 0.00 H new ATOM 36 N LYS A 3 45.227 5.777 -6.099 1.00 0.00 N ATOM 37 CA LYS A 3 46.069 5.653 -4.908 1.00 0.00 C ATOM 38 C LYS A 3 45.540 4.585 -3.951 1.00 0.00 C ATOM 39 O LYS A 3 44.769 3.710 -4.345 1.00 0.00 O ATOM 40 CB LYS A 3 46.187 7.007 -4.192 1.00 0.00 C ATOM 41 CG LYS A 3 44.951 7.402 -3.399 1.00 0.00 C ATOM 42 CD LYS A 3 45.082 8.803 -2.824 1.00 0.00 C ATOM 43 CE LYS A 3 44.205 9.794 -3.570 1.00 0.00 C ATOM 44 NZ LYS A 3 44.565 9.879 -5.014 1.00 0.00 N ATOM 0 H LYS A 3 45.751 5.850 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 3 47.060 5.339 -5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 3 47.043 6.976 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 3 46.393 7.780 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 3 44.073 7.353 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 3 44.793 6.689 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 3 44.805 8.792 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 3 46.122 9.124 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 3 43.160 9.498 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 3 44.301 10.779 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 44.027 10.648 -5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 45.583 10.069 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 44.337 8.979 -5.482 1.00 0.00 H new ATOM 58 N ASP A 4 45.966 4.660 -2.693 1.00 0.00 N ATOM 59 CA ASP A 4 45.538 3.699 -1.681 1.00 0.00 C ATOM 60 C ASP A 4 45.381 4.374 -0.324 1.00 0.00 C ATOM 61 O ASP A 4 44.701 3.855 0.563 1.00 0.00 O ATOM 62 CB ASP A 4 46.546 2.552 -1.580 1.00 0.00 C ATOM 63 CG ASP A 4 45.947 1.220 -1.986 1.00 0.00 C ATOM 64 OD1 ASP A 4 45.367 0.539 -1.115 1.00 0.00 O ATOM 65 OD2 ASP A 4 46.060 0.857 -3.176 1.00 0.00 O ATOM 0 H ASP A 4 46.607 5.376 -2.350 1.00 0.00 H new ATOM 0 HA ASP A 4 44.570 3.298 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 4 47.405 2.770 -2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 4 46.915 2.485 -0.556 1.00 0.00 H new ATOM 70 N ASP A 5 46.011 5.533 -0.167 1.00 0.00 N ATOM 71 CA ASP A 5 45.942 6.281 1.083 1.00 0.00 C ATOM 72 C ASP A 5 44.510 6.713 1.380 1.00 0.00 C ATOM 73 O ASP A 5 44.123 6.863 2.540 1.00 0.00 O ATOM 74 CB ASP A 5 46.854 7.508 1.020 1.00 0.00 C ATOM 75 CG ASP A 5 48.161 7.296 1.759 1.00 0.00 C ATOM 76 OD1 ASP A 5 48.771 6.220 1.591 1.00 0.00 O ATOM 77 OD2 ASP A 5 48.572 8.207 2.509 1.00 0.00 O ATOM 0 H ASP A 5 46.576 5.976 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 5 46.280 5.627 1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 5 47.064 7.748 -0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 5 46.334 8.366 1.446 1.00 0.00 H new ATOM 82 N ASP A 6 43.726 6.911 0.325 1.00 0.00 N ATOM 83 CA ASP A 6 42.335 7.325 0.471 1.00 0.00 C ATOM 84 C ASP A 6 41.424 6.115 0.647 1.00 0.00 C ATOM 85 O ASP A 6 40.418 6.181 1.353 1.00 0.00 O ATOM 86 CB ASP A 6 41.893 8.139 -0.746 1.00 0.00 C ATOM 87 CG ASP A 6 41.528 9.566 -0.386 1.00 0.00 C ATOM 88 OD1 ASP A 6 40.816 9.761 0.622 1.00 0.00 O ATOM 89 OD2 ASP A 6 41.953 10.489 -1.112 1.00 0.00 O ATOM 0 H ASP A 6 44.031 6.791 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 6 42.258 7.948 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 6 42.695 8.147 -1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 6 41.035 7.654 -1.212 1.00 0.00 H new ATOM 94 N ASP A 7 41.786 5.011 -0.002 1.00 0.00 N ATOM 95 CA ASP A 7 41.005 3.780 0.079 1.00 0.00 C ATOM 96 C ASP A 7 39.557 4.023 -0.338 1.00 0.00 C ATOM 97 O ASP A 7 38.664 4.115 0.505 1.00 0.00 O ATOM 98 CB ASP A 7 41.053 3.210 1.499 1.00 0.00 C ATOM 99 CG ASP A 7 41.101 1.695 1.512 1.00 0.00 C ATOM 100 OD1 ASP A 7 40.080 1.067 1.160 1.00 0.00 O ATOM 101 OD2 ASP A 7 42.157 1.137 1.875 1.00 0.00 O ATOM 0 H ASP A 7 42.616 4.944 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 7 41.444 3.057 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 7 41.928 3.603 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 7 40.177 3.548 2.053 1.00 0.00 H new ATOM 106 N LYS A 8 39.332 4.125 -1.645 1.00 0.00 N ATOM 107 CA LYS A 8 37.994 4.357 -2.175 1.00 0.00 C ATOM 108 C LYS A 8 37.353 3.046 -2.620 1.00 0.00 C ATOM 109 O LYS A 8 38.033 2.032 -2.773 1.00 0.00 O ATOM 110 CB LYS A 8 38.049 5.336 -3.349 1.00 0.00 C ATOM 111 CG LYS A 8 38.859 6.590 -3.059 1.00 0.00 C ATOM 112 CD LYS A 8 37.969 7.817 -2.954 1.00 0.00 C ATOM 113 CE LYS A 8 38.774 9.064 -2.625 1.00 0.00 C ATOM 114 NZ LYS A 8 39.317 9.713 -3.850 1.00 0.00 N ATOM 0 H LYS A 8 40.060 4.050 -2.356 1.00 0.00 H new ATOM 0 HA LYS A 8 37.385 4.789 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 8 38.477 4.829 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 8 37.033 5.624 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 8 39.412 6.460 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 8 39.595 6.740 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 8 37.438 7.964 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 8 37.215 7.656 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 8 38.143 9.772 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 8 39.596 8.801 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 39.859 10.559 -3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 39.939 9.046 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 38.532 9.988 -4.474 1.00 0.00 H new ATOM 128 N VAL A 9 36.040 3.074 -2.824 1.00 0.00 N ATOM 129 CA VAL A 9 35.307 1.889 -3.251 1.00 0.00 C ATOM 130 C VAL A 9 34.359 2.211 -4.400 1.00 0.00 C ATOM 131 O VAL A 9 33.902 3.346 -4.544 1.00 0.00 O ATOM 132 CB VAL A 9 34.498 1.278 -2.091 1.00 0.00 C ATOM 133 CG1 VAL A 9 35.383 0.384 -1.235 1.00 0.00 C ATOM 134 CG2 VAL A 9 33.858 2.371 -1.249 1.00 0.00 C ATOM 0 H VAL A 9 35.462 3.905 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 9 36.049 1.165 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 9 33.701 0.665 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 9 34.794 -0.039 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 9 35.786 -0.422 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 9 36.203 0.972 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 9 33.291 1.919 -0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 9 34.635 3.014 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 9 33.188 2.965 -1.871 1.00 0.00 H new ATOM 144 N LYS A 10 34.066 1.204 -5.219 1.00 0.00 N ATOM 145 CA LYS A 10 33.172 1.378 -6.358 1.00 0.00 C ATOM 146 C LYS A 10 32.257 0.168 -6.519 1.00 0.00 C ATOM 147 O LYS A 10 31.478 0.089 -7.469 1.00 0.00 O ATOM 148 CB LYS A 10 33.980 1.594 -7.639 1.00 0.00 C ATOM 149 CG LYS A 10 33.956 3.029 -8.139 1.00 0.00 C ATOM 150 CD LYS A 10 34.903 3.227 -9.312 1.00 0.00 C ATOM 151 CE LYS A 10 35.538 4.606 -9.289 1.00 0.00 C ATOM 152 NZ LYS A 10 34.878 5.539 -10.243 1.00 0.00 N ATOM 0 H LYS A 10 34.435 0.259 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 10 32.555 2.257 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 10 35.014 1.297 -7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.590 0.940 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 10 32.942 3.293 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.234 3.702 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.683 2.466 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 10 34.359 3.091 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 10 35.478 5.016 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 10 36.596 4.522 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 35.342 6.469 -10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.957 5.161 -11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 33.874 5.640 -9.992 1.00 0.00 H new ATOM 166 N LEU A 11 32.356 -0.771 -5.584 1.00 0.00 N ATOM 167 CA LEU A 11 31.538 -1.978 -5.620 1.00 0.00 C ATOM 168 C LEU A 11 30.457 -1.935 -4.546 1.00 0.00 C ATOM 169 O LEU A 11 29.910 -2.969 -4.160 1.00 0.00 O ATOM 170 CB LEU A 11 32.413 -3.219 -5.432 1.00 0.00 C ATOM 171 CG LEU A 11 33.411 -3.137 -4.275 1.00 0.00 C ATOM 172 CD1 LEU A 11 33.040 -4.126 -3.181 1.00 0.00 C ATOM 173 CD2 LEU A 11 34.826 -3.393 -4.772 1.00 0.00 C ATOM 0 H LEU A 11 32.995 -0.719 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 11 31.053 -2.029 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.765 -4.081 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 11 32.964 -3.400 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 11 33.372 -2.131 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 11 33.760 -4.054 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 11 32.043 -3.896 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 11 33.050 -5.138 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 11 35.522 -3.331 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 11 34.881 -4.387 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 11 35.090 -2.645 -5.520 1.00 0.00 H new ATOM 185 N THR A 12 30.152 -0.734 -4.066 1.00 0.00 N ATOM 186 CA THR A 12 29.135 -0.556 -3.037 1.00 0.00 C ATOM 187 C THR A 12 27.751 -0.918 -3.562 1.00 0.00 C ATOM 188 O THR A 12 27.455 -0.728 -4.742 1.00 0.00 O ATOM 189 CB THR A 12 29.111 0.893 -2.514 1.00 0.00 C ATOM 190 OG1 THR A 12 28.001 1.075 -1.626 1.00 0.00 O ATOM 191 CG2 THR A 12 29.012 1.882 -3.666 1.00 0.00 C ATOM 0 H THR A 12 30.595 0.131 -4.374 1.00 0.00 H new ATOM 0 HA THR A 12 29.396 -1.226 -2.217 1.00 0.00 H new ATOM 0 HB THR A 12 30.041 1.077 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.994 1.998 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 12 28.997 2.898 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.872 1.761 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.096 1.696 -4.227 1.00 0.00 H new ATOM 199 N CYS A 13 26.906 -1.441 -2.679 1.00 0.00 N ATOM 200 CA CYS A 13 25.551 -1.831 -3.053 1.00 0.00 C ATOM 201 C CYS A 13 24.566 -1.516 -1.934 1.00 0.00 C ATOM 202 O CYS A 13 24.917 -1.555 -0.754 1.00 0.00 O ATOM 203 CB CYS A 13 25.502 -3.323 -3.389 1.00 0.00 C ATOM 204 SG CYS A 13 26.212 -4.399 -2.102 1.00 0.00 S ATOM 0 H CYS A 13 27.136 -1.605 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 13 25.265 -1.258 -3.935 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.465 -3.613 -3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.036 -3.492 -4.324 1.00 0.00 H new ATOM 209 N TYR A 14 23.329 -1.204 -2.311 1.00 0.00 N ATOM 210 CA TYR A 14 22.291 -0.882 -1.339 1.00 0.00 C ATOM 211 C TYR A 14 20.922 -1.341 -1.833 1.00 0.00 C ATOM 212 O TYR A 14 20.649 -1.330 -3.034 1.00 0.00 O ATOM 213 CB TYR A 14 22.269 0.623 -1.063 1.00 0.00 C ATOM 214 CG TYR A 14 21.979 1.463 -2.287 1.00 0.00 C ATOM 215 CD1 TYR A 14 22.988 1.787 -3.187 1.00 0.00 C ATOM 216 CD2 TYR A 14 20.697 1.934 -2.541 1.00 0.00 C ATOM 217 CE1 TYR A 14 22.725 2.555 -4.305 1.00 0.00 C ATOM 218 CE2 TYR A 14 20.427 2.700 -3.658 1.00 0.00 C ATOM 219 CZ TYR A 14 21.444 3.009 -4.537 1.00 0.00 C ATOM 220 OH TYR A 14 21.180 3.772 -5.650 1.00 0.00 O ATOM 0 H TYR A 14 23.022 -1.168 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 14 22.519 -1.410 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 14 21.516 0.833 -0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 14 23.232 0.921 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 14 23.993 1.433 -3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 14 19.898 1.697 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 14 23.520 2.799 -4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 14 19.424 3.055 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 14 20.229 4.009 -5.666 1.00 0.00 H new ATOM 230 N GLN A 15 20.065 -1.741 -0.899 1.00 0.00 N ATOM 231 CA GLN A 15 18.725 -2.204 -1.238 1.00 0.00 C ATOM 232 C GLN A 15 17.793 -2.099 -0.036 1.00 0.00 C ATOM 233 O GLN A 15 18.057 -2.675 1.019 1.00 0.00 O ATOM 234 CB GLN A 15 18.771 -3.649 -1.738 1.00 0.00 C ATOM 235 CG GLN A 15 18.596 -3.779 -3.241 1.00 0.00 C ATOM 236 CD GLN A 15 17.349 -4.556 -3.619 1.00 0.00 C ATOM 237 OE1 GLN A 15 17.410 -5.753 -3.898 1.00 0.00 O ATOM 238 NE2 GLN A 15 16.208 -3.875 -3.628 1.00 0.00 N ATOM 0 H GLN A 15 20.275 -1.754 0.099 1.00 0.00 H new ATOM 0 HA GLN A 15 18.338 -1.565 -2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 15 19.724 -4.093 -1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 15 17.990 -4.222 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 15 18.548 -2.785 -3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 15 19.470 -4.275 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.204 -2.883 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.336 -4.344 -3.873 1.00 0.00 H new ATOM 247 N ASN A 16 16.701 -1.358 -0.203 1.00 0.00 N ATOM 248 CA ASN A 16 15.729 -1.177 0.869 1.00 0.00 C ATOM 249 C ASN A 16 15.061 -2.501 1.229 1.00 0.00 C ATOM 250 O ASN A 16 14.413 -3.128 0.390 1.00 0.00 O ATOM 251 CB ASN A 16 14.668 -0.154 0.457 1.00 0.00 C ATOM 252 CG ASN A 16 15.275 1.094 -0.153 1.00 0.00 C ATOM 253 OD1 ASN A 16 16.323 1.567 0.285 1.00 0.00 O ATOM 254 ND2 ASN A 16 14.615 1.635 -1.172 1.00 0.00 N ATOM 0 H ASN A 16 16.468 -0.874 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 16 16.260 -0.808 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.986 -0.611 -0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.076 0.122 1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.974 2.476 -1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.749 1.209 -1.503 1.00 0.00 H new ATOM 261 N GLY A 17 15.227 -2.921 2.480 1.00 0.00 N ATOM 262 CA GLY A 17 14.636 -4.168 2.928 1.00 0.00 C ATOM 263 C GLY A 17 14.056 -4.067 4.325 1.00 0.00 C ATOM 264 O GLY A 17 13.745 -5.082 4.948 1.00 0.00 O ATOM 0 H GLY A 17 15.760 -2.420 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.851 -4.465 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.392 -4.953 2.908 1.00 0.00 H new ATOM 268 N VAL A 18 13.912 -2.837 4.816 1.00 0.00 N ATOM 269 CA VAL A 18 13.366 -2.593 6.149 1.00 0.00 C ATOM 270 C VAL A 18 14.281 -3.153 7.234 1.00 0.00 C ATOM 271 O VAL A 18 14.997 -4.131 7.015 1.00 0.00 O ATOM 272 CB VAL A 18 11.960 -3.207 6.307 1.00 0.00 C ATOM 273 CG1 VAL A 18 11.305 -2.726 7.593 1.00 0.00 C ATOM 274 CG2 VAL A 18 11.091 -2.872 5.103 1.00 0.00 C ATOM 0 H VAL A 18 14.167 -1.991 4.307 1.00 0.00 H new ATOM 0 HA VAL A 18 13.294 -1.511 6.264 1.00 0.00 H new ATOM 0 HB VAL A 18 12.064 -4.291 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.314 -3.171 7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.916 -3.022 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.215 -1.640 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.103 -3.314 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.996 -1.790 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.551 -3.272 4.200 1.00 0.00 H new ATOM 284 N SER A 19 14.254 -2.527 8.406 1.00 0.00 N ATOM 285 CA SER A 19 15.080 -2.962 9.527 1.00 0.00 C ATOM 286 C SER A 19 14.764 -4.405 9.902 1.00 0.00 C ATOM 287 O SER A 19 13.607 -4.824 9.878 1.00 0.00 O ATOM 288 CB SER A 19 14.861 -2.049 10.736 1.00 0.00 C ATOM 289 OG SER A 19 15.336 -2.652 11.926 1.00 0.00 O ATOM 0 H SER A 19 13.668 -1.716 8.604 1.00 0.00 H new ATOM 0 HA SER A 19 16.125 -2.903 9.222 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.374 -1.100 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.799 -1.824 10.838 1.00 0.00 H new ATOM 0 HG SER A 19 15.185 -2.047 12.682 1.00 0.00 H new ATOM 295 N PHE A 20 15.800 -5.163 10.247 1.00 0.00 N ATOM 296 CA PHE A 20 15.628 -6.561 10.624 1.00 0.00 C ATOM 297 C PHE A 20 15.485 -6.709 12.134 1.00 0.00 C ATOM 298 O PHE A 20 16.035 -5.918 12.901 1.00 0.00 O ATOM 299 CB PHE A 20 16.808 -7.398 10.123 1.00 0.00 C ATOM 300 CG PHE A 20 16.579 -8.018 8.771 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.309 -8.418 8.380 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.634 -8.202 7.892 1.00 0.00 C ATOM 303 CE1 PHE A 20 15.098 -8.987 7.141 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.428 -8.772 6.650 1.00 0.00 C ATOM 305 CZ PHE A 20 16.159 -9.164 6.274 1.00 0.00 C ATOM 0 H PHE A 20 16.765 -4.834 10.273 1.00 0.00 H new ATOM 0 HA PHE A 20 14.712 -6.924 10.157 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.696 -6.768 10.078 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.014 -8.188 10.845 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.476 -8.282 9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.629 -7.896 8.181 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.104 -9.294 6.849 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.259 -8.911 5.974 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.996 -9.608 5.303 1.00 0.00 H new ATOM 315 N THR A 21 14.740 -7.727 12.555 1.00 0.00 N ATOM 316 CA THR A 21 14.521 -7.980 13.974 1.00 0.00 C ATOM 317 C THR A 21 14.161 -9.441 14.223 1.00 0.00 C ATOM 318 O THR A 21 13.935 -10.203 13.283 1.00 0.00 O ATOM 319 CB THR A 21 13.405 -7.080 14.539 1.00 0.00 C ATOM 320 OG1 THR A 21 13.037 -7.514 15.854 1.00 0.00 O ATOM 321 CG2 THR A 21 12.184 -7.100 13.634 1.00 0.00 C ATOM 0 H THR A 21 14.278 -8.390 11.933 1.00 0.00 H new ATOM 0 HA THR A 21 15.455 -7.749 14.485 1.00 0.00 H new ATOM 0 HB THR A 21 13.786 -6.060 14.589 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.329 -6.934 16.204 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.410 -6.458 14.053 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.459 -6.737 12.644 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.806 -8.119 13.555 1.00 0.00 H new ATOM 329 N GLY A 22 14.112 -9.822 15.494 1.00 0.00 N ATOM 330 CA GLY A 22 13.780 -11.190 15.847 1.00 0.00 C ATOM 331 C GLY A 22 15.004 -12.081 15.919 1.00 0.00 C ATOM 332 O GLY A 22 15.151 -12.870 16.853 1.00 0.00 O ATOM 0 H GLY A 22 14.296 -9.208 16.287 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.269 -11.200 16.810 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.083 -11.593 15.112 1.00 0.00 H new ATOM 336 N GLY A 23 15.883 -11.954 14.930 1.00 0.00 N ATOM 337 CA GLY A 23 17.091 -12.758 14.904 1.00 0.00 C ATOM 338 C GLY A 23 18.158 -12.229 15.841 1.00 0.00 C ATOM 339 O GLY A 23 17.938 -11.246 16.549 1.00 0.00 O ATOM 0 H GLY A 23 15.780 -11.309 14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.847 -13.784 15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.485 -12.785 13.888 1.00 0.00 H new ATOM 343 N LYS A 24 19.315 -12.882 15.849 1.00 0.00 N ATOM 344 CA LYS A 24 20.418 -12.471 16.709 1.00 0.00 C ATOM 345 C LYS A 24 21.617 -12.020 15.881 1.00 0.00 C ATOM 346 O LYS A 24 22.388 -12.843 15.386 1.00 0.00 O ATOM 347 CB LYS A 24 20.823 -13.617 17.637 1.00 0.00 C ATOM 348 CG LYS A 24 20.190 -13.536 19.016 1.00 0.00 C ATOM 349 CD LYS A 24 21.010 -12.667 19.957 1.00 0.00 C ATOM 350 CE LYS A 24 21.041 -13.243 21.363 1.00 0.00 C ATOM 351 NZ LYS A 24 21.350 -12.204 22.383 1.00 0.00 N ATOM 0 H LYS A 24 19.513 -13.698 15.270 1.00 0.00 H new ATOM 0 HA LYS A 24 20.081 -11.628 17.312 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.545 -14.564 17.174 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.908 -13.621 17.744 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.182 -13.131 18.931 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.097 -14.538 19.434 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.028 -12.577 19.577 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.590 -11.661 19.984 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.077 -13.699 21.590 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.788 -14.035 21.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.362 -12.638 23.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.281 -11.786 22.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.623 -11.461 22.352 1.00 0.00 H new ATOM 365 N ALA A 25 21.768 -10.707 15.737 1.00 0.00 N ATOM 366 CA ALA A 25 22.874 -10.143 14.973 1.00 0.00 C ATOM 367 C ALA A 25 24.212 -10.473 15.623 1.00 0.00 C ATOM 368 O ALA A 25 24.397 -10.267 16.823 1.00 0.00 O ATOM 369 CB ALA A 25 22.708 -8.636 14.841 1.00 0.00 C ATOM 0 H ALA A 25 21.138 -10.014 16.140 1.00 0.00 H new ATOM 0 HA ALA A 25 22.862 -10.588 13.978 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.540 -8.227 14.268 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.772 -8.417 14.328 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.693 -8.183 15.832 1.00 0.00 H new ATOM 375 N ILE A 26 25.145 -10.977 14.823 1.00 0.00 N ATOM 376 CA ILE A 26 26.470 -11.326 15.324 1.00 0.00 C ATOM 377 C ILE A 26 27.244 -10.070 15.699 1.00 0.00 C ATOM 378 O ILE A 26 28.200 -10.121 16.472 1.00 0.00 O ATOM 379 CB ILE A 26 27.278 -12.123 14.281 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.460 -11.298 13.006 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.588 -13.443 13.971 1.00 0.00 C ATOM 382 CD1 ILE A 26 28.857 -10.744 12.834 1.00 0.00 C ATOM 0 H ILE A 26 25.009 -11.153 13.827 1.00 0.00 H new ATOM 0 HA ILE A 26 26.328 -11.950 16.206 1.00 0.00 H new ATOM 0 HB ILE A 26 28.263 -12.340 14.695 1.00 0.00 H new ATOM 0 HG12 ILE A 26 27.216 -11.919 12.144 1.00 0.00 H new ATOM 0 HG13 ILE A 26 26.749 -10.471 13.014 1.00 0.00 H new ATOM 0 HG21 ILE A 26 27.171 -13.994 13.233 1.00 0.00 H new ATOM 0 HG22 ILE A 26 26.506 -14.034 14.883 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.592 -13.248 13.574 1.00 0.00 H new ATOM 0 HD11 ILE A 26 28.910 -10.171 11.908 1.00 0.00 H new ATOM 0 HD12 ILE A 26 29.098 -10.096 13.677 1.00 0.00 H new ATOM 0 HD13 ILE A 26 29.572 -11.566 12.793 1.00 0.00 H new ATOM 394 N SER A 27 26.816 -8.946 15.138 1.00 0.00 N ATOM 395 CA SER A 27 27.454 -7.663 15.396 1.00 0.00 C ATOM 396 C SER A 27 26.604 -6.527 14.851 1.00 0.00 C ATOM 397 O SER A 27 26.060 -6.617 13.752 1.00 0.00 O ATOM 398 CB SER A 27 28.848 -7.626 14.769 1.00 0.00 C ATOM 399 OG SER A 27 29.550 -6.456 15.150 1.00 0.00 O ATOM 0 H SER A 27 26.024 -8.898 14.497 1.00 0.00 H new ATOM 0 HA SER A 27 27.552 -7.538 16.474 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.411 -8.507 15.076 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.762 -7.665 13.683 1.00 0.00 H new ATOM 0 HG SER A 27 30.439 -6.459 14.737 1.00 0.00 H new ATOM 405 N GLU A 28 26.489 -5.461 15.628 1.00 0.00 N ATOM 406 CA GLU A 28 25.700 -4.307 15.225 1.00 0.00 C ATOM 407 C GLU A 28 26.443 -3.015 15.537 1.00 0.00 C ATOM 408 O GLU A 28 27.049 -2.878 16.600 1.00 0.00 O ATOM 409 CB GLU A 28 24.350 -4.306 15.938 1.00 0.00 C ATOM 410 CG GLU A 28 23.962 -5.654 16.529 1.00 0.00 C ATOM 411 CD GLU A 28 22.652 -5.600 17.291 1.00 0.00 C ATOM 412 OE1 GLU A 28 22.454 -4.639 18.065 1.00 0.00 O ATOM 413 OE2 GLU A 28 21.826 -6.520 17.115 1.00 0.00 O ATOM 0 H GLU A 28 26.932 -5.371 16.542 1.00 0.00 H new ATOM 0 HA GLU A 28 25.535 -4.370 14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.372 -3.564 16.736 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.579 -3.994 15.234 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.882 -6.389 15.728 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.753 -5.995 17.197 1.00 0.00 H new ATOM 420 N ALA A 29 26.391 -2.073 14.607 1.00 0.00 N ATOM 421 CA ALA A 29 27.060 -0.790 14.789 1.00 0.00 C ATOM 422 C ALA A 29 26.178 0.366 14.332 1.00 0.00 C ATOM 423 O ALA A 29 25.935 0.540 13.139 1.00 0.00 O ATOM 424 CB ALA A 29 28.382 -0.775 14.039 1.00 0.00 C ATOM 0 H ALA A 29 25.895 -2.171 13.721 1.00 0.00 H new ATOM 0 HA ALA A 29 27.254 -0.661 15.854 1.00 0.00 H new ATOM 0 HB1 ALA A 29 28.871 0.188 14.183 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.025 -1.569 14.419 1.00 0.00 H new ATOM 0 HB3 ALA A 29 28.199 -0.934 12.976 1.00 0.00 H new ATOM 430 N LYS A 30 25.707 1.158 15.292 1.00 0.00 N ATOM 431 CA LYS A 30 24.855 2.302 14.989 1.00 0.00 C ATOM 432 C LYS A 30 25.601 3.318 14.131 1.00 0.00 C ATOM 433 O LYS A 30 26.319 4.175 14.645 1.00 0.00 O ATOM 434 CB LYS A 30 24.370 2.964 16.282 1.00 0.00 C ATOM 435 CG LYS A 30 25.444 3.070 17.355 1.00 0.00 C ATOM 436 CD LYS A 30 25.671 4.512 17.776 1.00 0.00 C ATOM 437 CE LYS A 30 27.059 4.707 18.365 1.00 0.00 C ATOM 438 NZ LYS A 30 27.012 4.924 19.837 1.00 0.00 N ATOM 0 H LYS A 30 25.901 1.028 16.285 1.00 0.00 H new ATOM 0 HA LYS A 30 23.991 1.943 14.430 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.999 3.963 16.052 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.529 2.395 16.678 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.152 2.478 18.223 1.00 0.00 H new ATOM 0 HG3 LYS A 30 26.377 2.648 16.980 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.544 5.168 16.915 1.00 0.00 H new ATOM 0 HD3 LYS A 30 24.919 4.801 18.510 1.00 0.00 H new ATOM 0 HE2 LYS A 30 27.672 3.833 18.146 1.00 0.00 H new ATOM 0 HE3 LYS A 30 27.539 5.561 17.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 27.978 5.053 20.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 26.448 5.773 20.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 26.577 4.098 20.296 1.00 0.00 H new ATOM 452 N ALA A 31 25.431 3.211 12.817 1.00 0.00 N ATOM 453 CA ALA A 31 26.091 4.115 11.885 1.00 0.00 C ATOM 454 C ALA A 31 25.077 4.975 11.138 1.00 0.00 C ATOM 455 O ALA A 31 23.989 4.513 10.795 1.00 0.00 O ATOM 456 CB ALA A 31 26.939 3.325 10.900 1.00 0.00 C ATOM 0 H ALA A 31 24.841 2.506 12.374 1.00 0.00 H new ATOM 0 HA ALA A 31 26.737 4.779 12.459 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.427 4.011 10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 31 27.695 2.758 11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.303 2.638 10.341 1.00 0.00 H new ATOM 462 N ALA A 32 25.445 6.228 10.887 1.00 0.00 N ATOM 463 CA ALA A 32 24.571 7.152 10.175 1.00 0.00 C ATOM 464 C ALA A 32 24.515 6.814 8.690 1.00 0.00 C ATOM 465 O ALA A 32 23.716 7.380 7.944 1.00 0.00 O ATOM 466 CB ALA A 32 25.042 8.585 10.376 1.00 0.00 C ATOM 0 H ALA A 32 26.342 6.626 11.166 1.00 0.00 H new ATOM 0 HA ALA A 32 23.565 7.053 10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 32 24.380 9.264 9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 32 25.026 8.828 11.439 1.00 0.00 H new ATOM 0 HB3 ALA A 32 26.058 8.691 9.995 1.00 0.00 H new ATOM 472 N SER A 33 25.368 5.885 8.271 1.00 0.00 N ATOM 473 CA SER A 33 25.420 5.465 6.876 1.00 0.00 C ATOM 474 C SER A 33 25.811 3.995 6.770 1.00 0.00 C ATOM 475 O SER A 33 26.747 3.544 7.432 1.00 0.00 O ATOM 476 CB SER A 33 26.414 6.328 6.097 1.00 0.00 C ATOM 477 OG SER A 33 27.684 6.337 6.724 1.00 0.00 O ATOM 0 H SER A 33 26.034 5.408 8.879 1.00 0.00 H new ATOM 0 HA SER A 33 24.427 5.592 6.445 1.00 0.00 H new ATOM 0 HB2 SER A 33 26.510 5.949 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 33 26.035 7.347 6.023 1.00 0.00 H new ATOM 0 HG SER A 33 28.301 6.894 6.205 1.00 0.00 H new ATOM 483 N SER A 34 25.088 3.254 5.936 1.00 0.00 N ATOM 484 CA SER A 34 25.357 1.833 5.743 1.00 0.00 C ATOM 485 C SER A 34 26.806 1.600 5.335 1.00 0.00 C ATOM 486 O SER A 34 27.387 0.559 5.642 1.00 0.00 O ATOM 487 CB SER A 34 24.425 1.259 4.677 1.00 0.00 C ATOM 488 OG SER A 34 23.171 1.917 4.686 1.00 0.00 O ATOM 0 H SER A 34 24.311 3.614 5.383 1.00 0.00 H new ATOM 0 HA SER A 34 25.178 1.326 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 34 24.885 1.361 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.281 0.193 4.852 1.00 0.00 H new ATOM 0 HG SER A 34 22.594 1.532 3.993 1.00 0.00 H new ATOM 494 N GLN A 35 27.381 2.575 4.639 1.00 0.00 N ATOM 495 CA GLN A 35 28.762 2.482 4.183 1.00 0.00 C ATOM 496 C GLN A 35 29.692 2.127 5.339 1.00 0.00 C ATOM 497 O GLN A 35 30.530 1.231 5.223 1.00 0.00 O ATOM 498 CB GLN A 35 29.191 3.802 3.537 1.00 0.00 C ATOM 499 CG GLN A 35 30.696 4.027 3.530 1.00 0.00 C ATOM 500 CD GLN A 35 31.402 3.229 2.453 1.00 0.00 C ATOM 501 OE1 GLN A 35 31.998 3.792 1.535 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.338 1.906 2.558 1.00 0.00 N ATOM 0 H GLN A 35 26.910 3.441 4.378 1.00 0.00 H new ATOM 0 HA GLN A 35 28.828 1.688 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 35 28.825 3.828 2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 35 28.713 4.626 4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 35 30.900 5.088 3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.104 3.756 4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 35 30.833 1.480 3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 35 31.794 1.316 1.861 1.00 0.00 H new ATOM 511 N ALA A 36 29.533 2.829 6.453 1.00 0.00 N ATOM 512 CA ALA A 36 30.355 2.583 7.633 1.00 0.00 C ATOM 513 C ALA A 36 30.172 1.153 8.126 1.00 0.00 C ATOM 514 O ALA A 36 31.115 0.522 8.606 1.00 0.00 O ATOM 515 CB ALA A 36 30.008 3.574 8.734 1.00 0.00 C ATOM 0 H ALA A 36 28.844 3.572 6.566 1.00 0.00 H new ATOM 0 HA ALA A 36 31.401 2.719 7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.629 3.379 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.189 4.589 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.957 3.465 9.004 1.00 0.00 H new ATOM 521 N CYS A 37 28.950 0.645 7.997 1.00 0.00 N ATOM 522 CA CYS A 37 28.638 -0.714 8.423 1.00 0.00 C ATOM 523 C CYS A 37 29.240 -1.729 7.462 1.00 0.00 C ATOM 524 O CYS A 37 29.547 -2.856 7.847 1.00 0.00 O ATOM 525 CB CYS A 37 27.122 -0.911 8.510 1.00 0.00 C ATOM 526 SG CYS A 37 26.619 -2.590 9.000 1.00 0.00 S ATOM 0 H CYS A 37 28.160 1.154 7.601 1.00 0.00 H new ATOM 0 HA CYS A 37 29.072 -0.870 9.411 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.714 -0.197 9.226 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.680 -0.679 7.541 1.00 0.00 H new ATOM 531 N GLN A 38 29.410 -1.319 6.209 1.00 0.00 N ATOM 532 CA GLN A 38 29.981 -2.190 5.192 1.00 0.00 C ATOM 533 C GLN A 38 31.474 -2.384 5.428 1.00 0.00 C ATOM 534 O GLN A 38 32.000 -3.486 5.270 1.00 0.00 O ATOM 535 CB GLN A 38 29.745 -1.604 3.799 1.00 0.00 C ATOM 536 CG GLN A 38 28.314 -1.756 3.308 1.00 0.00 C ATOM 537 CD GLN A 38 28.100 -3.034 2.522 1.00 0.00 C ATOM 538 OE1 GLN A 38 27.963 -3.008 1.298 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.070 -4.161 3.222 1.00 0.00 N ATOM 0 H GLN A 38 29.160 -0.388 5.875 1.00 0.00 H new ATOM 0 HA GLN A 38 29.489 -3.160 5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.006 -0.546 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 38 30.416 -2.090 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 38 27.637 -1.742 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.056 -0.902 2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 38 28.188 -4.136 4.235 1.00 0.00 H new ATOM 0 HE22 GLN A 38 27.929 -5.053 2.747 1.00 0.00 H new ATOM 548 N GLU A 39 32.152 -1.304 5.807 1.00 0.00 N ATOM 549 CA GLU A 39 33.584 -1.356 6.064 1.00 0.00 C ATOM 550 C GLU A 39 33.887 -2.232 7.272 1.00 0.00 C ATOM 551 O GLU A 39 34.805 -3.050 7.238 1.00 0.00 O ATOM 552 CB GLU A 39 34.144 0.061 6.258 1.00 0.00 C ATOM 553 CG GLU A 39 34.247 0.503 7.710 1.00 0.00 C ATOM 554 CD GLU A 39 34.804 1.905 7.854 1.00 0.00 C ATOM 555 OE1 GLU A 39 34.328 2.810 7.136 1.00 0.00 O ATOM 556 OE2 GLU A 39 35.716 2.099 8.685 1.00 0.00 O ATOM 0 H GLU A 39 31.732 -0.385 5.942 1.00 0.00 H new ATOM 0 HA GLU A 39 34.073 -1.802 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 39 35.134 0.113 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 39 33.510 0.766 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 39 33.260 0.459 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.884 -0.195 8.254 1.00 0.00 H new ATOM 563 N LEU A 40 33.107 -2.067 8.333 1.00 0.00 N ATOM 564 CA LEU A 40 33.299 -2.860 9.534 1.00 0.00 C ATOM 565 C LEU A 40 32.880 -4.300 9.278 1.00 0.00 C ATOM 566 O LEU A 40 33.454 -5.233 9.837 1.00 0.00 O ATOM 567 CB LEU A 40 32.508 -2.271 10.701 1.00 0.00 C ATOM 568 CG LEU A 40 31.005 -2.556 10.688 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.696 -3.863 11.399 1.00 0.00 C ATOM 570 CD2 LEU A 40 30.253 -1.412 11.338 1.00 0.00 C ATOM 0 H LEU A 40 32.341 -1.395 8.384 1.00 0.00 H new ATOM 0 HA LEU A 40 34.356 -2.843 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 40 32.925 -2.656 11.631 1.00 0.00 H new ATOM 0 HB3 LEU A 40 32.655 -1.191 10.709 1.00 0.00 H new ATOM 0 HG LEU A 40 30.681 -2.649 9.651 1.00 0.00 H new ATOM 0 HD11 LEU A 40 29.621 -4.044 11.377 1.00 0.00 H new ATOM 0 HD12 LEU A 40 31.212 -4.681 10.897 1.00 0.00 H new ATOM 0 HD13 LEU A 40 31.032 -3.803 12.434 1.00 0.00 H new ATOM 0 HD21 LEU A 40 29.184 -1.625 11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 40 30.586 -1.297 12.369 1.00 0.00 H new ATOM 0 HD23 LEU A 40 30.447 -0.491 10.789 1.00 0.00 H new ATOM 582 N CYS A 41 31.882 -4.470 8.413 1.00 0.00 N ATOM 583 CA CYS A 41 31.395 -5.796 8.066 1.00 0.00 C ATOM 584 C CYS A 41 32.528 -6.624 7.477 1.00 0.00 C ATOM 585 O CYS A 41 32.647 -7.819 7.747 1.00 0.00 O ATOM 586 CB CYS A 41 30.244 -5.696 7.063 1.00 0.00 C ATOM 587 SG CYS A 41 28.915 -6.914 7.330 1.00 0.00 S ATOM 0 H CYS A 41 31.398 -3.705 7.942 1.00 0.00 H new ATOM 0 HA CYS A 41 31.028 -6.282 8.970 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.819 -4.694 7.113 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.642 -5.823 6.056 1.00 0.00 H new ATOM 592 N GLU A 42 33.370 -5.970 6.681 1.00 0.00 N ATOM 593 CA GLU A 42 34.509 -6.636 6.063 1.00 0.00 C ATOM 594 C GLU A 42 35.467 -7.139 7.133 1.00 0.00 C ATOM 595 O GLU A 42 36.021 -8.234 7.023 1.00 0.00 O ATOM 596 CB GLU A 42 35.237 -5.677 5.121 1.00 0.00 C ATOM 597 CG GLU A 42 34.368 -5.157 3.988 1.00 0.00 C ATOM 598 CD GLU A 42 35.108 -5.094 2.667 1.00 0.00 C ATOM 599 OE1 GLU A 42 35.318 -6.161 2.052 1.00 0.00 O ATOM 600 OE2 GLU A 42 35.479 -3.978 2.247 1.00 0.00 O ATOM 0 H GLU A 42 33.284 -4.980 6.450 1.00 0.00 H new ATOM 0 HA GLU A 42 34.144 -7.486 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 42 35.612 -4.831 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.104 -6.185 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 42 33.495 -5.800 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 42 34.002 -4.162 4.243 1.00 0.00 H new ATOM 607 N LYS A 43 35.652 -6.332 8.173 1.00 0.00 N ATOM 608 CA LYS A 43 36.536 -6.690 9.274 1.00 0.00 C ATOM 609 C LYS A 43 35.943 -7.839 10.079 1.00 0.00 C ATOM 610 O LYS A 43 36.648 -8.773 10.458 1.00 0.00 O ATOM 611 CB LYS A 43 36.773 -5.481 10.181 1.00 0.00 C ATOM 612 CG LYS A 43 37.252 -4.246 9.436 1.00 0.00 C ATOM 613 CD LYS A 43 38.648 -3.837 9.875 1.00 0.00 C ATOM 614 CE LYS A 43 38.617 -2.594 10.750 1.00 0.00 C ATOM 615 NZ LYS A 43 38.681 -2.934 12.198 1.00 0.00 N ATOM 0 H LYS A 43 35.200 -5.424 8.275 1.00 0.00 H new ATOM 0 HA LYS A 43 37.492 -7.010 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.847 -5.243 10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.509 -5.746 10.940 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.250 -4.443 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 43 36.559 -3.423 9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 43 39.113 -4.657 10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 43 39.266 -3.649 8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 43 39.455 -1.947 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.706 -2.031 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.657 -2.060 12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.868 -3.531 12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.563 -3.449 12.395 1.00 0.00 H new ATOM 629 N ASP A 44 34.640 -7.762 10.330 1.00 0.00 N ATOM 630 CA ASP A 44 33.946 -8.799 11.085 1.00 0.00 C ATOM 631 C ASP A 44 34.080 -10.151 10.389 1.00 0.00 C ATOM 632 O ASP A 44 33.633 -10.322 9.255 1.00 0.00 O ATOM 633 CB ASP A 44 32.469 -8.439 11.251 1.00 0.00 C ATOM 634 CG ASP A 44 32.090 -8.210 12.701 1.00 0.00 C ATOM 635 OD1 ASP A 44 32.287 -7.078 13.194 1.00 0.00 O ATOM 636 OD2 ASP A 44 31.596 -9.160 13.344 1.00 0.00 O ATOM 0 H ASP A 44 34.044 -6.993 10.022 1.00 0.00 H new ATOM 0 HA ASP A 44 34.405 -8.868 12.071 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.250 -7.540 10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 44 31.854 -9.239 10.840 1.00 0.00 H new ATOM 641 N ALA A 45 34.702 -11.106 11.074 1.00 0.00 N ATOM 642 CA ALA A 45 34.900 -12.441 10.520 1.00 0.00 C ATOM 643 C ALA A 45 33.650 -13.301 10.677 1.00 0.00 C ATOM 644 O ALA A 45 33.709 -14.526 10.565 1.00 0.00 O ATOM 645 CB ALA A 45 36.089 -13.114 11.187 1.00 0.00 C ATOM 0 H ALA A 45 35.078 -10.980 12.014 1.00 0.00 H new ATOM 0 HA ALA A 45 35.100 -12.335 9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 45 36.227 -14.110 10.766 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.987 -12.520 11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.907 -13.196 12.259 1.00 0.00 H new ATOM 651 N LYS A 46 32.519 -12.652 10.936 1.00 0.00 N ATOM 652 CA LYS A 46 31.255 -13.361 11.108 1.00 0.00 C ATOM 653 C LYS A 46 30.123 -12.639 10.384 1.00 0.00 C ATOM 654 O LYS A 46 28.953 -12.987 10.542 1.00 0.00 O ATOM 655 CB LYS A 46 30.922 -13.494 12.594 1.00 0.00 C ATOM 656 CG LYS A 46 31.596 -14.681 13.265 1.00 0.00 C ATOM 657 CD LYS A 46 30.742 -15.243 14.390 1.00 0.00 C ATOM 658 CE LYS A 46 30.073 -16.545 13.983 1.00 0.00 C ATOM 659 NZ LYS A 46 31.056 -17.654 13.842 1.00 0.00 N ATOM 0 H LYS A 46 32.452 -11.639 11.031 1.00 0.00 H new ATOM 0 HA LYS A 46 31.362 -14.356 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.219 -12.580 13.108 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.842 -13.587 12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 46 31.784 -15.460 12.526 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.565 -14.375 13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.362 -15.411 15.270 1.00 0.00 H new ATOM 0 HD3 LYS A 46 29.982 -14.514 14.670 1.00 0.00 H new ATOM 0 HE2 LYS A 46 29.324 -16.816 14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 46 29.548 -16.403 13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 30.559 -18.566 13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 31.547 -17.569 12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 31.751 -17.602 14.614 1.00 0.00 H new ATOM 673 N CYS A 47 30.478 -11.633 9.594 1.00 0.00 N ATOM 674 CA CYS A 47 29.492 -10.861 8.847 1.00 0.00 C ATOM 675 C CYS A 47 29.282 -11.446 7.453 1.00 0.00 C ATOM 676 O CYS A 47 30.178 -12.076 6.892 1.00 0.00 O ATOM 677 CB CYS A 47 29.931 -9.399 8.744 1.00 0.00 C ATOM 678 SG CYS A 47 29.837 -8.702 7.062 1.00 0.00 S ATOM 0 H CYS A 47 31.443 -11.332 9.454 1.00 0.00 H new ATOM 0 HA CYS A 47 28.545 -10.910 9.384 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.310 -8.798 9.409 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.957 -9.314 9.103 1.00 0.00 H new ATOM 683 N ARG A 48 28.091 -11.230 6.900 1.00 0.00 N ATOM 684 CA ARG A 48 27.761 -11.733 5.571 1.00 0.00 C ATOM 685 C ARG A 48 26.579 -10.971 4.981 1.00 0.00 C ATOM 686 O ARG A 48 26.553 -10.673 3.786 1.00 0.00 O ATOM 687 CB ARG A 48 27.438 -13.227 5.633 1.00 0.00 C ATOM 688 CG ARG A 48 28.179 -14.053 4.595 1.00 0.00 C ATOM 689 CD ARG A 48 28.598 -15.404 5.152 1.00 0.00 C ATOM 690 NE ARG A 48 30.049 -15.562 5.173 1.00 0.00 N ATOM 691 CZ ARG A 48 30.694 -16.347 6.031 1.00 0.00 C ATOM 692 NH1 ARG A 48 30.019 -17.043 6.935 1.00 0.00 N ATOM 693 NH2 ARG A 48 32.017 -16.436 5.983 1.00 0.00 N ATOM 0 H ARG A 48 27.339 -10.710 7.352 1.00 0.00 H new ATOM 0 HA ARG A 48 28.628 -11.582 4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.683 -13.602 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.365 -13.364 5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.542 -14.200 3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 48 29.061 -13.508 4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.207 -15.516 6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.156 -16.197 4.549 1.00 0.00 H new ATOM 0 HE ARG A 48 30.600 -15.041 4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.002 -16.977 6.974 1.00 0.00 H new ATOM 0 HH12 ARG A 48 30.517 -17.644 7.592 1.00 0.00 H new ATOM 0 HH21 ARG A 48 32.539 -15.902 5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 48 32.512 -17.038 6.641 1.00 0.00 H new ATOM 707 N PHE A 49 25.603 -10.656 5.826 1.00 0.00 N ATOM 708 CA PHE A 49 24.416 -9.926 5.392 1.00 0.00 C ATOM 709 C PHE A 49 24.112 -8.770 6.341 1.00 0.00 C ATOM 710 O PHE A 49 23.341 -8.918 7.289 1.00 0.00 O ATOM 711 CB PHE A 49 23.211 -10.867 5.314 1.00 0.00 C ATOM 712 CG PHE A 49 23.508 -12.173 4.635 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.572 -12.251 3.252 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.723 -13.323 5.377 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.846 -13.451 2.624 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.997 -14.526 4.754 1.00 0.00 C ATOM 717 CZ PHE A 49 24.058 -14.591 3.376 1.00 0.00 C ATOM 0 H PHE A 49 25.610 -10.895 6.818 1.00 0.00 H new ATOM 0 HA PHE A 49 24.614 -9.518 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.851 -11.066 6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.404 -10.366 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.406 -11.364 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.676 -13.279 6.455 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.894 -13.498 1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 49 24.163 -15.415 5.345 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.271 -15.530 2.887 1.00 0.00 H new ATOM 727 N PHE A 50 24.727 -7.620 6.081 1.00 0.00 N ATOM 728 CA PHE A 50 24.525 -6.439 6.914 1.00 0.00 C ATOM 729 C PHE A 50 23.107 -5.896 6.761 1.00 0.00 C ATOM 730 O PHE A 50 22.410 -6.213 5.796 1.00 0.00 O ATOM 731 CB PHE A 50 25.548 -5.356 6.558 1.00 0.00 C ATOM 732 CG PHE A 50 25.139 -4.488 5.400 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.143 -4.986 4.107 1.00 0.00 C ATOM 734 CD2 PHE A 50 24.750 -3.175 5.608 1.00 0.00 C ATOM 735 CE1 PHE A 50 24.768 -4.189 3.042 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.374 -2.373 4.547 1.00 0.00 C ATOM 737 CZ PHE A 50 24.382 -2.881 3.263 1.00 0.00 C ATOM 0 H PHE A 50 25.369 -7.481 5.301 1.00 0.00 H new ATOM 0 HA PHE A 50 24.667 -6.731 7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.713 -4.725 7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.500 -5.832 6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.442 -6.008 3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.740 -2.773 6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 50 24.777 -4.588 2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.074 -1.350 4.722 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.087 -2.257 2.433 1.00 0.00 H new ATOM 747 N THR A 51 22.688 -5.076 7.720 1.00 0.00 N ATOM 748 CA THR A 51 21.355 -4.485 7.698 1.00 0.00 C ATOM 749 C THR A 51 21.309 -3.212 8.538 1.00 0.00 C ATOM 750 O THR A 51 21.078 -3.259 9.747 1.00 0.00 O ATOM 751 CB THR A 51 20.293 -5.476 8.216 1.00 0.00 C ATOM 752 OG1 THR A 51 20.250 -6.633 7.372 1.00 0.00 O ATOM 753 CG2 THR A 51 18.917 -4.827 8.262 1.00 0.00 C ATOM 0 H THR A 51 23.254 -4.805 8.524 1.00 0.00 H new ATOM 0 HA THR A 51 21.130 -4.239 6.660 1.00 0.00 H new ATOM 0 HB THR A 51 20.570 -5.772 9.228 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.904 -6.535 6.649 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.187 -5.548 8.631 1.00 0.00 H new ATOM 0 HG22 THR A 51 18.944 -3.964 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.634 -4.504 7.260 1.00 0.00 H new ATOM 761 N LEU A 52 21.534 -2.072 7.889 1.00 0.00 N ATOM 762 CA LEU A 52 21.519 -0.784 8.574 1.00 0.00 C ATOM 763 C LEU A 52 20.103 -0.220 8.636 1.00 0.00 C ATOM 764 O LEU A 52 19.237 -0.605 7.853 1.00 0.00 O ATOM 765 CB LEU A 52 22.447 0.206 7.863 1.00 0.00 C ATOM 766 CG LEU A 52 22.521 1.599 8.495 1.00 0.00 C ATOM 767 CD1 LEU A 52 23.921 1.872 9.023 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.111 2.663 7.489 1.00 0.00 C ATOM 0 H LEU A 52 21.729 -2.015 6.889 1.00 0.00 H new ATOM 0 HA LEU A 52 21.875 -0.936 9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.451 -0.217 7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.117 0.310 6.829 1.00 0.00 H new ATOM 0 HG LEU A 52 21.826 1.634 9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 52 23.954 2.866 9.468 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.177 1.128 9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.636 1.818 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.170 3.646 7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.781 2.628 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.089 2.478 7.160 1.00 0.00 H new ATOM 780 N ALA A 53 19.876 0.697 9.573 1.00 0.00 N ATOM 781 CA ALA A 53 18.568 1.317 9.736 1.00 0.00 C ATOM 782 C ALA A 53 18.689 2.835 9.812 1.00 0.00 C ATOM 783 O ALA A 53 19.693 3.408 9.390 1.00 0.00 O ATOM 784 CB ALA A 53 17.879 0.774 10.979 1.00 0.00 C ATOM 0 H ALA A 53 20.583 1.026 10.231 1.00 0.00 H new ATOM 0 HA ALA A 53 17.962 1.071 8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.903 1.246 11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.752 -0.304 10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.488 0.991 11.857 1.00 0.00 H new ATOM 790 N SER A 54 17.659 3.480 10.352 1.00 0.00 N ATOM 791 CA SER A 54 17.648 4.932 10.483 1.00 0.00 C ATOM 792 C SER A 54 18.870 5.423 11.254 1.00 0.00 C ATOM 793 O SER A 54 19.261 6.585 11.140 1.00 0.00 O ATOM 794 CB SER A 54 16.369 5.391 11.187 1.00 0.00 C ATOM 795 OG SER A 54 16.297 6.806 11.245 1.00 0.00 O ATOM 0 H SER A 54 16.821 3.019 10.706 1.00 0.00 H new ATOM 0 HA SER A 54 17.679 5.360 9.481 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.499 5.001 10.658 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.339 4.981 12.196 1.00 0.00 H new ATOM 0 HG SER A 54 15.470 7.073 11.698 1.00 0.00 H new ATOM 801 N GLY A 55 19.470 4.531 12.036 1.00 0.00 N ATOM 802 CA GLY A 55 20.642 4.894 12.812 1.00 0.00 C ATOM 803 C GLY A 55 21.218 3.721 13.580 1.00 0.00 C ATOM 804 O GLY A 55 21.709 3.884 14.698 1.00 0.00 O ATOM 0 H GLY A 55 19.166 3.564 12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.404 5.297 12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.379 5.688 13.511 1.00 0.00 H new ATOM 808 N LYS A 56 21.160 2.537 12.980 1.00 0.00 N ATOM 809 CA LYS A 56 21.680 1.331 13.614 1.00 0.00 C ATOM 810 C LYS A 56 21.872 0.216 12.591 1.00 0.00 C ATOM 811 O LYS A 56 20.916 -0.231 11.958 1.00 0.00 O ATOM 812 CB LYS A 56 20.737 0.863 14.722 1.00 0.00 C ATOM 813 CG LYS A 56 21.452 0.191 15.883 1.00 0.00 C ATOM 814 CD LYS A 56 20.577 0.145 17.125 1.00 0.00 C ATOM 815 CE LYS A 56 21.208 -0.698 18.221 1.00 0.00 C ATOM 816 NZ LYS A 56 21.760 0.142 19.321 1.00 0.00 N ATOM 0 H LYS A 56 20.758 2.387 12.055 1.00 0.00 H new ATOM 0 HA LYS A 56 22.650 1.572 14.049 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.177 1.719 15.097 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.011 0.167 14.301 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.736 -0.822 15.599 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.373 0.730 16.105 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.412 1.158 17.493 1.00 0.00 H new ATOM 0 HD3 LYS A 56 19.600 -0.263 16.868 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.463 -1.383 18.626 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.005 -1.309 17.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.181 -0.471 20.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.489 0.778 18.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 20.996 0.706 19.744 1.00 0.00 H new ATOM 830 N CYS A 57 23.114 -0.231 12.442 1.00 0.00 N ATOM 831 CA CYS A 57 23.435 -1.296 11.501 1.00 0.00 C ATOM 832 C CYS A 57 23.495 -2.644 12.213 1.00 0.00 C ATOM 833 O CYS A 57 23.704 -2.705 13.424 1.00 0.00 O ATOM 834 CB CYS A 57 24.768 -1.006 10.805 1.00 0.00 C ATOM 835 SG CYS A 57 25.984 -2.359 10.914 1.00 0.00 S ATOM 0 H CYS A 57 23.915 0.128 12.961 1.00 0.00 H new ATOM 0 HA CYS A 57 22.647 -1.338 10.749 1.00 0.00 H new ATOM 0 HB2 CYS A 57 24.576 -0.790 9.754 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.203 -0.107 11.241 1.00 0.00 H new ATOM 840 N SER A 58 23.308 -3.719 11.456 1.00 0.00 N ATOM 841 CA SER A 58 23.339 -5.063 12.020 1.00 0.00 C ATOM 842 C SER A 58 23.771 -6.086 10.975 1.00 0.00 C ATOM 843 O SER A 58 23.066 -6.319 9.993 1.00 0.00 O ATOM 844 CB SER A 58 21.966 -5.436 12.576 1.00 0.00 C ATOM 845 OG SER A 58 21.516 -4.475 13.517 1.00 0.00 O ATOM 0 H SER A 58 23.134 -3.686 10.452 1.00 0.00 H new ATOM 0 HA SER A 58 24.068 -5.071 12.831 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.248 -5.513 11.759 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.016 -6.417 13.049 1.00 0.00 H new ATOM 0 HG SER A 58 20.635 -4.737 13.856 1.00 0.00 H new ATOM 851 N LEU A 59 24.928 -6.700 11.195 1.00 0.00 N ATOM 852 CA LEU A 59 25.447 -7.705 10.276 1.00 0.00 C ATOM 853 C LEU A 59 25.081 -9.106 10.756 1.00 0.00 C ATOM 854 O LEU A 59 25.341 -9.465 11.903 1.00 0.00 O ATOM 855 CB LEU A 59 26.968 -7.577 10.129 1.00 0.00 C ATOM 856 CG LEU A 59 27.672 -6.747 11.208 1.00 0.00 C ATOM 857 CD1 LEU A 59 29.115 -7.198 11.365 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.611 -5.267 10.875 1.00 0.00 C ATOM 0 H LEU A 59 25.524 -6.519 12.002 1.00 0.00 H new ATOM 0 HA LEU A 59 24.992 -7.538 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.400 -8.578 10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.185 -7.134 9.157 1.00 0.00 H new ATOM 0 HG LEU A 59 27.153 -6.904 12.154 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.602 -6.599 12.135 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.138 -8.249 11.654 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.641 -7.070 10.419 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.117 -4.697 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.102 -5.089 9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.570 -4.951 10.812 1.00 0.00 H new ATOM 870 N PHE A 60 24.465 -9.888 9.874 1.00 0.00 N ATOM 871 CA PHE A 60 24.054 -11.246 10.214 1.00 0.00 C ATOM 872 C PHE A 60 24.816 -12.274 9.386 1.00 0.00 C ATOM 873 O PHE A 60 24.878 -12.179 8.161 1.00 0.00 O ATOM 874 CB PHE A 60 22.547 -11.411 9.996 1.00 0.00 C ATOM 875 CG PHE A 60 21.730 -10.307 10.604 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.471 -9.147 9.891 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.229 -10.423 11.891 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.728 -8.126 10.449 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.484 -9.405 12.454 1.00 0.00 C ATOM 880 CZ PHE A 60 20.235 -8.254 11.732 1.00 0.00 C ATOM 0 H PHE A 60 24.240 -9.605 8.920 1.00 0.00 H new ATOM 0 HA PHE A 60 24.286 -11.416 11.265 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.345 -11.455 8.926 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.229 -12.364 10.419 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.855 -9.041 8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.423 -11.320 12.460 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.533 -7.228 9.882 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.097 -9.509 13.457 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.655 -7.455 12.171 1.00 0.00 H new ATOM 890 N ALA A 61 25.395 -13.259 10.067 1.00 0.00 N ATOM 891 CA ALA A 61 26.155 -14.309 9.400 1.00 0.00 C ATOM 892 C ALA A 61 25.251 -15.169 8.525 1.00 0.00 C ATOM 893 O ALA A 61 25.645 -15.598 7.440 1.00 0.00 O ATOM 894 CB ALA A 61 26.873 -15.171 10.426 1.00 0.00 C ATOM 0 H ALA A 61 25.352 -13.351 11.082 1.00 0.00 H new ATOM 0 HA ALA A 61 26.896 -13.835 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.437 -15.951 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.556 -14.552 11.008 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.142 -15.629 11.092 1.00 0.00 H new ATOM 900 N ASP A 62 24.037 -15.413 9.004 1.00 0.00 N ATOM 901 CA ASP A 62 23.071 -16.222 8.267 1.00 0.00 C ATOM 902 C ASP A 62 21.642 -15.837 8.640 1.00 0.00 C ATOM 903 O ASP A 62 21.418 -15.111 9.609 1.00 0.00 O ATOM 904 CB ASP A 62 23.301 -17.707 8.546 1.00 0.00 C ATOM 905 CG ASP A 62 23.447 -18.519 7.273 1.00 0.00 C ATOM 906 OD1 ASP A 62 24.393 -18.250 6.503 1.00 0.00 O ATOM 907 OD2 ASP A 62 22.615 -19.422 7.046 1.00 0.00 O ATOM 0 H ASP A 62 23.697 -15.063 9.900 1.00 0.00 H new ATOM 0 HA ASP A 62 23.213 -16.033 7.203 1.00 0.00 H new ATOM 0 HB2 ASP A 62 24.198 -17.825 9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.467 -18.098 9.129 1.00 0.00 H new ATOM 912 N ASP A 63 20.682 -16.328 7.865 1.00 0.00 N ATOM 913 CA ASP A 63 19.274 -16.036 8.113 1.00 0.00 C ATOM 914 C ASP A 63 18.625 -17.145 8.935 1.00 0.00 C ATOM 915 O ASP A 63 18.499 -18.280 8.473 1.00 0.00 O ATOM 916 CB ASP A 63 18.527 -15.861 6.790 1.00 0.00 C ATOM 917 CG ASP A 63 17.051 -15.578 6.991 1.00 0.00 C ATOM 918 OD1 ASP A 63 16.686 -14.390 7.113 1.00 0.00 O ATOM 919 OD2 ASP A 63 16.260 -16.544 7.025 1.00 0.00 O ATOM 0 H ASP A 63 20.852 -16.930 7.060 1.00 0.00 H new ATOM 0 HA ASP A 63 19.216 -15.107 8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.977 -15.043 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.642 -16.763 6.189 1.00 0.00 H new ATOM 924 N ALA A 64 18.215 -16.810 10.154 1.00 0.00 N ATOM 925 CA ALA A 64 17.578 -17.776 11.039 1.00 0.00 C ATOM 926 C ALA A 64 16.114 -17.424 11.275 1.00 0.00 C ATOM 927 O ALA A 64 15.235 -18.281 11.188 1.00 0.00 O ATOM 928 CB ALA A 64 18.325 -17.852 12.362 1.00 0.00 C ATOM 0 H ALA A 64 18.313 -15.876 10.551 1.00 0.00 H new ATOM 0 HA ALA A 64 17.615 -18.753 10.556 1.00 0.00 H new ATOM 0 HB1 ALA A 64 17.838 -18.578 13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 64 19.355 -18.160 12.181 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.318 -16.873 12.841 1.00 0.00 H new ATOM 934 N ALA A 65 15.862 -16.155 11.574 1.00 0.00 N ATOM 935 CA ALA A 65 14.506 -15.682 11.823 1.00 0.00 C ATOM 936 C ALA A 65 14.435 -14.159 11.759 1.00 0.00 C ATOM 937 O ALA A 65 13.404 -13.562 12.068 1.00 0.00 O ATOM 938 CB ALA A 65 14.015 -16.176 13.175 1.00 0.00 C ATOM 0 H ALA A 65 16.580 -15.435 11.650 1.00 0.00 H new ATOM 0 HA ALA A 65 13.859 -16.084 11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.001 -15.815 13.348 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.019 -17.266 13.188 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.672 -15.801 13.960 1.00 0.00 H new ATOM 944 N LEU A 66 15.538 -13.538 11.353 1.00 0.00 N ATOM 945 CA LEU A 66 15.602 -12.083 11.247 1.00 0.00 C ATOM 946 C LEU A 66 14.654 -11.575 10.166 1.00 0.00 C ATOM 947 O LEU A 66 14.967 -11.630 8.975 1.00 0.00 O ATOM 948 CB LEU A 66 17.033 -11.634 10.942 1.00 0.00 C ATOM 949 CG LEU A 66 17.787 -12.507 9.935 1.00 0.00 C ATOM 950 CD1 LEU A 66 18.169 -11.696 8.707 1.00 0.00 C ATOM 951 CD2 LEU A 66 19.023 -13.116 10.581 1.00 0.00 C ATOM 0 H LEU A 66 16.399 -14.018 11.092 1.00 0.00 H new ATOM 0 HA LEU A 66 15.294 -11.660 12.203 1.00 0.00 H new ATOM 0 HB2 LEU A 66 17.004 -10.612 10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.597 -11.612 11.874 1.00 0.00 H new ATOM 0 HG LEU A 66 17.129 -13.317 9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.704 -12.333 8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 66 17.268 -11.307 8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.810 -10.866 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.548 -13.734 9.852 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.684 -12.320 10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.724 -13.731 11.430 1.00 0.00 H new ATOM 963 N ARG A 67 13.495 -11.080 10.586 1.00 0.00 N ATOM 964 CA ARG A 67 12.501 -10.561 9.654 1.00 0.00 C ATOM 965 C ARG A 67 12.382 -9.043 9.767 1.00 0.00 C ATOM 966 O ARG A 67 12.806 -8.451 10.759 1.00 0.00 O ATOM 967 CB ARG A 67 11.139 -11.208 9.914 1.00 0.00 C ATOM 968 CG ARG A 67 10.904 -12.477 9.112 1.00 0.00 C ATOM 969 CD ARG A 67 9.556 -13.100 9.438 1.00 0.00 C ATOM 970 NE ARG A 67 9.643 -14.041 10.551 1.00 0.00 N ATOM 971 CZ ARG A 67 10.125 -15.275 10.437 1.00 0.00 C ATOM 972 NH1 ARG A 67 10.561 -15.715 9.265 1.00 0.00 N ATOM 973 NH2 ARG A 67 10.172 -16.071 11.497 1.00 0.00 N ATOM 0 H ARG A 67 13.221 -11.027 11.567 1.00 0.00 H new ATOM 0 HA ARG A 67 12.828 -10.807 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.053 -11.438 10.976 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.354 -10.489 9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.953 -12.250 8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.698 -13.194 9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.843 -12.313 9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.172 -13.615 8.557 1.00 0.00 H new ATOM 0 HE ARG A 67 9.316 -13.735 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.527 -15.106 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.930 -16.662 9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.838 -15.737 12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.542 -17.017 11.408 1.00 0.00 H new ATOM 987 N PRO A 68 11.792 -8.392 8.750 1.00 0.00 N ATOM 988 CA PRO A 68 11.614 -6.937 8.738 1.00 0.00 C ATOM 989 C PRO A 68 10.593 -6.471 9.772 1.00 0.00 C ATOM 990 O PRO A 68 10.087 -7.269 10.561 1.00 0.00 O ATOM 991 CB PRO A 68 11.108 -6.651 7.323 1.00 0.00 C ATOM 992 CG PRO A 68 10.458 -7.920 6.894 1.00 0.00 C ATOM 993 CD PRO A 68 11.250 -9.025 7.533 1.00 0.00 C ATOM 0 HA PRO A 68 12.536 -6.412 8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.402 -5.821 7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.927 -6.380 6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.416 -7.952 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.463 -8.014 5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.623 -9.884 7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.044 -9.382 6.877 1.00 0.00 H new ATOM 1001 N THR A 69 10.294 -5.176 9.759 1.00 0.00 N ATOM 1002 CA THR A 69 9.331 -4.604 10.694 1.00 0.00 C ATOM 1003 C THR A 69 8.359 -3.672 9.981 1.00 0.00 C ATOM 1004 O THR A 69 7.205 -4.029 9.740 1.00 0.00 O ATOM 1005 CB THR A 69 10.034 -3.834 11.831 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.177 -2.798 12.326 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.344 -3.226 11.350 1.00 0.00 C ATOM 0 H THR A 69 10.704 -4.503 9.112 1.00 0.00 H new ATOM 0 HA THR A 69 8.777 -5.438 11.125 1.00 0.00 H new ATOM 0 HB THR A 69 10.253 -4.540 12.632 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.631 -2.316 13.048 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.819 -2.689 12.171 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.007 -4.018 11.003 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.145 -2.535 10.531 1.00 0.00 H new ATOM 1015 N LYS A 70 8.833 -2.478 9.644 1.00 0.00 N ATOM 1016 CA LYS A 70 8.008 -1.490 8.956 1.00 0.00 C ATOM 1017 C LYS A 70 8.850 -0.306 8.491 1.00 0.00 C ATOM 1018 O LYS A 70 8.547 0.324 7.478 1.00 0.00 O ATOM 1019 CB LYS A 70 6.886 -1.001 9.874 1.00 0.00 C ATOM 1020 CG LYS A 70 7.379 -0.464 11.207 1.00 0.00 C ATOM 1021 CD LYS A 70 6.276 0.262 11.959 1.00 0.00 C ATOM 1022 CE LYS A 70 6.804 1.500 12.665 1.00 0.00 C ATOM 1023 NZ LYS A 70 6.713 2.712 11.803 1.00 0.00 N ATOM 0 H LYS A 70 9.786 -2.170 9.836 1.00 0.00 H new ATOM 0 HA LYS A 70 7.569 -1.968 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.325 -0.219 9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.194 -1.823 10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.754 -1.287 11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.215 0.216 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.487 0.547 11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.828 -0.412 12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.239 1.664 13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.842 1.338 12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.083 3.535 12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.273 2.566 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.719 2.882 11.547 1.00 0.00 H new ATOM 1037 N SER A 71 9.907 -0.009 9.241 1.00 0.00 N ATOM 1038 CA SER A 71 10.794 1.101 8.909 1.00 0.00 C ATOM 1039 C SER A 71 11.478 0.871 7.565 1.00 0.00 C ATOM 1040 O SER A 71 12.469 0.146 7.478 1.00 0.00 O ATOM 1041 CB SER A 71 11.845 1.286 10.005 1.00 0.00 C ATOM 1042 OG SER A 71 11.526 0.522 11.154 1.00 0.00 O ATOM 0 H SER A 71 10.170 -0.522 10.083 1.00 0.00 H new ATOM 0 HA SER A 71 10.190 2.006 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.824 0.989 9.628 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.913 2.340 10.273 1.00 0.00 H new ATOM 0 HG SER A 71 12.215 0.657 11.838 1.00 0.00 H new ATOM 1048 N ASP A 72 10.944 1.495 6.521 1.00 0.00 N ATOM 1049 CA ASP A 72 11.503 1.362 5.180 1.00 0.00 C ATOM 1050 C ASP A 72 12.774 2.192 5.035 1.00 0.00 C ATOM 1051 O ASP A 72 13.482 2.090 4.034 1.00 0.00 O ATOM 1052 CB ASP A 72 10.475 1.791 4.132 1.00 0.00 C ATOM 1053 CG ASP A 72 10.667 1.076 2.808 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.771 -0.168 2.815 1.00 0.00 O ATOM 1055 OD2 ASP A 72 10.712 1.761 1.765 1.00 0.00 O ATOM 0 H ASP A 72 10.124 2.099 6.577 1.00 0.00 H new ATOM 0 HA ASP A 72 11.757 0.314 5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.472 1.591 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.548 2.867 3.975 1.00 0.00 H new ATOM 1060 N GLY A 73 13.056 3.014 6.041 1.00 0.00 N ATOM 1061 CA GLY A 73 14.240 3.851 6.007 1.00 0.00 C ATOM 1062 C GLY A 73 15.521 3.049 6.132 1.00 0.00 C ATOM 1063 O GLY A 73 16.611 3.563 5.882 1.00 0.00 O ATOM 0 H GLY A 73 12.485 3.115 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.257 4.414 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.190 4.579 6.817 1.00 0.00 H new ATOM 1067 N ALA A 74 15.387 1.785 6.520 1.00 0.00 N ATOM 1068 CA ALA A 74 16.541 0.907 6.679 1.00 0.00 C ATOM 1069 C ALA A 74 16.990 0.343 5.337 1.00 0.00 C ATOM 1070 O ALA A 74 16.201 0.246 4.397 1.00 0.00 O ATOM 1071 CB ALA A 74 16.214 -0.225 7.637 1.00 0.00 C ATOM 0 H ALA A 74 14.491 1.346 6.730 1.00 0.00 H new ATOM 0 HA ALA A 74 17.359 1.497 7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 74 17.084 -0.872 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.944 0.188 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.378 -0.804 7.244 1.00 0.00 H new ATOM 1077 N VAL A 75 18.262 -0.035 5.257 1.00 0.00 N ATOM 1078 CA VAL A 75 18.818 -0.595 4.033 1.00 0.00 C ATOM 1079 C VAL A 75 19.622 -1.857 4.325 1.00 0.00 C ATOM 1080 O VAL A 75 20.599 -1.823 5.073 1.00 0.00 O ATOM 1081 CB VAL A 75 19.722 0.416 3.304 1.00 0.00 C ATOM 1082 CG1 VAL A 75 19.874 0.028 1.844 1.00 0.00 C ATOM 1083 CG2 VAL A 75 19.169 1.828 3.434 1.00 0.00 C ATOM 0 H VAL A 75 18.927 0.037 6.027 1.00 0.00 H new ATOM 0 HA VAL A 75 17.973 -0.841 3.389 1.00 0.00 H new ATOM 0 HB VAL A 75 20.707 0.398 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 75 20.515 0.751 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.321 -0.964 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 75 18.894 0.018 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.824 2.525 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.172 1.870 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 75 19.115 2.102 4.488 1.00 0.00 H new ATOM 1093 N SER A 76 19.204 -2.970 3.729 1.00 0.00 N ATOM 1094 CA SER A 76 19.886 -4.245 3.926 1.00 0.00 C ATOM 1095 C SER A 76 20.610 -4.676 2.656 1.00 0.00 C ATOM 1096 O SER A 76 20.409 -4.098 1.588 1.00 0.00 O ATOM 1097 CB SER A 76 18.886 -5.322 4.349 1.00 0.00 C ATOM 1098 OG SER A 76 17.554 -4.911 4.093 1.00 0.00 O ATOM 0 H SER A 76 18.397 -3.015 3.106 1.00 0.00 H new ATOM 0 HA SER A 76 20.625 -4.115 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.094 -6.247 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.006 -5.537 5.411 1.00 0.00 H new ATOM 0 HG SER A 76 16.934 -5.618 4.371 1.00 0.00 H new ATOM 1104 N GLY A 77 21.454 -5.697 2.780 1.00 0.00 N ATOM 1105 CA GLY A 77 22.196 -6.190 1.634 1.00 0.00 C ATOM 1106 C GLY A 77 22.475 -7.678 1.720 1.00 0.00 C ATOM 1107 O GLY A 77 22.285 -8.291 2.771 1.00 0.00 O ATOM 0 H GLY A 77 21.637 -6.191 3.653 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.634 -5.981 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.140 -5.650 1.557 1.00 0.00 H new ATOM 1111 N ASN A 78 22.926 -8.258 0.613 1.00 0.00 N ATOM 1112 CA ASN A 78 23.231 -9.685 0.567 1.00 0.00 C ATOM 1113 C ASN A 78 24.579 -9.932 -0.103 1.00 0.00 C ATOM 1114 O ASN A 78 25.299 -8.990 -0.437 1.00 0.00 O ATOM 1115 CB ASN A 78 22.130 -10.439 -0.182 1.00 0.00 C ATOM 1116 CG ASN A 78 20.916 -10.702 0.687 1.00 0.00 C ATOM 1117 OD1 ASN A 78 20.014 -9.869 0.783 1.00 0.00 O ATOM 1118 ND2 ASN A 78 20.887 -11.865 1.326 1.00 0.00 N ATOM 0 H ASN A 78 23.089 -7.763 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 78 23.282 -10.054 1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.829 -9.863 -1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.526 -11.387 -0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 78 20.095 -12.098 1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.656 -12.526 1.218 1.00 0.00 H new ATOM 1125 N LYS A 79 24.913 -11.203 -0.296 1.00 0.00 N ATOM 1126 CA LYS A 79 26.174 -11.577 -0.926 1.00 0.00 C ATOM 1127 C LYS A 79 26.222 -11.103 -2.374 1.00 0.00 C ATOM 1128 O LYS A 79 27.170 -10.437 -2.789 1.00 0.00 O ATOM 1129 CB LYS A 79 26.367 -13.094 -0.868 1.00 0.00 C ATOM 1130 CG LYS A 79 27.349 -13.542 0.202 1.00 0.00 C ATOM 1131 CD LYS A 79 27.715 -15.009 0.043 1.00 0.00 C ATOM 1132 CE LYS A 79 28.394 -15.553 1.289 1.00 0.00 C ATOM 1133 NZ LYS A 79 29.848 -15.788 1.072 1.00 0.00 N ATOM 0 H LYS A 79 24.327 -11.993 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 79 26.982 -11.093 -0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 79 25.403 -13.568 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 79 26.716 -13.445 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 79 28.251 -12.933 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 79 26.914 -13.379 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 79 26.816 -15.589 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 79 28.377 -15.129 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 79 28.259 -14.851 2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 79 27.916 -16.487 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 30.274 -16.159 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 29.977 -16.477 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 30.310 -14.892 0.815 1.00 0.00 H new ATOM 1147 N ARG A 80 25.193 -11.453 -3.140 1.00 0.00 N ATOM 1148 CA ARG A 80 25.116 -11.065 -4.543 1.00 0.00 C ATOM 1149 C ARG A 80 24.790 -9.580 -4.682 1.00 0.00 C ATOM 1150 O ARG A 80 23.653 -9.162 -4.465 1.00 0.00 O ATOM 1151 CB ARG A 80 24.060 -11.900 -5.269 1.00 0.00 C ATOM 1152 CG ARG A 80 24.497 -13.331 -5.538 1.00 0.00 C ATOM 1153 CD ARG A 80 25.127 -13.472 -6.914 1.00 0.00 C ATOM 1154 NE ARG A 80 25.763 -14.774 -7.095 1.00 0.00 N ATOM 1155 CZ ARG A 80 27.079 -14.944 -7.190 1.00 0.00 C ATOM 1156 NH1 ARG A 80 27.894 -13.901 -7.122 1.00 0.00 N ATOM 1157 NH2 ARG A 80 27.580 -16.161 -7.353 1.00 0.00 N ATOM 0 H ARG A 80 24.401 -12.005 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 80 26.090 -11.249 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 80 23.147 -11.913 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 80 23.816 -11.419 -6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 80 25.211 -13.644 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 80 23.637 -13.996 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 80 24.363 -13.333 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 80 25.867 -12.684 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 80 25.165 -15.599 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 80 27.513 -12.963 -6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 80 28.902 -14.036 -7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 80 26.956 -16.966 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 80 28.589 -16.292 -7.426 1.00 0.00 H new ATOM 1171 N CYS A 81 25.796 -8.791 -5.047 1.00 0.00 N ATOM 1172 CA CYS A 81 25.617 -7.354 -5.217 1.00 0.00 C ATOM 1173 C CYS A 81 26.008 -6.922 -6.627 1.00 0.00 C ATOM 1174 O CYS A 81 26.161 -5.733 -6.903 1.00 0.00 O ATOM 1175 CB CYS A 81 26.452 -6.589 -4.188 1.00 0.00 C ATOM 1176 SG CYS A 81 25.580 -6.258 -2.622 1.00 0.00 S ATOM 0 H CYS A 81 26.743 -9.123 -5.231 1.00 0.00 H new ATOM 0 HA CYS A 81 24.563 -7.123 -5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 81 27.357 -7.158 -3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 81 26.767 -5.641 -4.624 1.00 0.00 H new ATOM 1181 N ILE A 82 26.167 -7.899 -7.516 1.00 0.00 N ATOM 1182 CA ILE A 82 26.540 -7.623 -8.898 1.00 0.00 C ATOM 1183 C ILE A 82 25.619 -8.354 -9.870 1.00 0.00 C ATOM 1184 O ILE A 82 25.166 -9.466 -9.595 1.00 0.00 O ATOM 1185 CB ILE A 82 28.001 -8.034 -9.176 1.00 0.00 C ATOM 1186 CG1 ILE A 82 28.404 -7.645 -10.601 1.00 0.00 C ATOM 1187 CG2 ILE A 82 28.186 -9.527 -8.955 1.00 0.00 C ATOM 1188 CD1 ILE A 82 28.911 -6.225 -10.721 1.00 0.00 C ATOM 0 H ILE A 82 26.043 -8.889 -7.303 1.00 0.00 H new ATOM 0 HA ILE A 82 26.440 -6.548 -9.048 1.00 0.00 H new ATOM 0 HB ILE A 82 28.649 -7.502 -8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 82 29.178 -8.329 -10.950 1.00 0.00 H new ATOM 0 HG13 ILE A 82 27.545 -7.772 -11.260 1.00 0.00 H new ATOM 0 HG21 ILE A 82 29.222 -9.799 -9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 82 27.939 -9.775 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 82 27.529 -10.079 -9.628 1.00 0.00 H new ATOM 0 HD11 ILE A 82 29.178 -6.020 -11.758 1.00 0.00 H new ATOM 0 HD12 ILE A 82 28.132 -5.532 -10.403 1.00 0.00 H new ATOM 0 HD13 ILE A 82 29.790 -6.098 -10.089 1.00 0.00 H new ATOM 1200 N LEU A 83 25.345 -7.722 -11.007 1.00 0.00 N ATOM 1201 CA LEU A 83 24.477 -8.312 -12.021 1.00 0.00 C ATOM 1202 C LEU A 83 24.821 -7.780 -13.409 1.00 0.00 C ATOM 1203 O LEU A 83 25.407 -6.707 -13.545 1.00 0.00 O ATOM 1204 CB LEU A 83 23.011 -8.021 -11.699 1.00 0.00 C ATOM 1205 CG LEU A 83 22.027 -9.115 -12.117 1.00 0.00 C ATOM 1206 CD1 LEU A 83 21.999 -10.231 -11.084 1.00 0.00 C ATOM 1207 CD2 LEU A 83 20.635 -8.532 -12.314 1.00 0.00 C ATOM 0 H LEU A 83 25.711 -6.801 -11.250 1.00 0.00 H new ATOM 0 HA LEU A 83 24.635 -9.390 -12.016 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.916 -7.859 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 83 22.725 -7.090 -12.189 1.00 0.00 H new ATOM 0 HG LEU A 83 22.361 -9.535 -13.066 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.293 -11.000 -11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 83 22.994 -10.667 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 83 21.690 -9.827 -10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.948 -9.324 -12.611 1.00 0.00 H new ATOM 0 HD22 LEU A 83 20.292 -8.085 -11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.667 -7.769 -13.091 1.00 0.00 H new ATOM 1219 N LEU A 84 24.449 -8.539 -14.435 1.00 0.00 N ATOM 1220 CA LEU A 84 24.716 -8.145 -15.814 1.00 0.00 C ATOM 1221 C LEU A 84 23.595 -8.606 -16.739 1.00 0.00 C ATOM 1222 O LEU A 84 23.223 -7.902 -17.678 1.00 0.00 O ATOM 1223 CB LEU A 84 26.052 -8.726 -16.283 1.00 0.00 C ATOM 1224 CG LEU A 84 26.728 -7.958 -17.420 1.00 0.00 C ATOM 1225 CD1 LEU A 84 27.689 -6.918 -16.863 1.00 0.00 C ATOM 1226 CD2 LEU A 84 27.456 -8.915 -18.351 1.00 0.00 C ATOM 0 H LEU A 84 23.962 -9.430 -14.338 1.00 0.00 H new ATOM 0 HA LEU A 84 24.768 -7.057 -15.851 1.00 0.00 H new ATOM 0 HB2 LEU A 84 26.734 -8.762 -15.433 1.00 0.00 H new ATOM 0 HB3 LEU A 84 25.890 -9.755 -16.605 1.00 0.00 H new ATOM 0 HG LEU A 84 25.958 -7.442 -17.993 1.00 0.00 H new ATOM 0 HD11 LEU A 84 28.161 -6.381 -17.686 1.00 0.00 H new ATOM 0 HD12 LEU A 84 27.140 -6.214 -16.237 1.00 0.00 H new ATOM 0 HD13 LEU A 84 28.455 -7.413 -16.266 1.00 0.00 H new ATOM 0 HD21 LEU A 84 27.931 -8.351 -19.154 1.00 0.00 H new ATOM 0 HD22 LEU A 84 28.216 -9.459 -17.791 1.00 0.00 H new ATOM 0 HD23 LEU A 84 26.743 -9.622 -18.776 1.00 0.00 H new ATOM 1238 N GLU A 85 23.061 -9.793 -16.465 1.00 0.00 N ATOM 1239 CA GLU A 85 21.981 -10.349 -17.272 1.00 0.00 C ATOM 1240 C GLU A 85 20.621 -10.009 -16.670 1.00 0.00 C ATOM 1241 O GLU A 85 20.534 -9.546 -15.533 1.00 0.00 O ATOM 1242 CB GLU A 85 22.134 -11.867 -17.389 1.00 0.00 C ATOM 1243 CG GLU A 85 21.897 -12.396 -18.795 1.00 0.00 C ATOM 1244 CD GLU A 85 21.125 -13.701 -18.804 1.00 0.00 C ATOM 1245 OE1 GLU A 85 19.884 -13.657 -18.685 1.00 0.00 O ATOM 1246 OE2 GLU A 85 21.765 -14.767 -18.931 1.00 0.00 O ATOM 0 H GLU A 85 23.359 -10.387 -15.691 1.00 0.00 H new ATOM 0 HA GLU A 85 22.039 -9.906 -18.266 1.00 0.00 H new ATOM 0 HB2 GLU A 85 23.137 -12.149 -17.068 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.434 -12.348 -16.706 1.00 0.00 H new ATOM 0 HG2 GLU A 85 21.350 -11.651 -19.372 1.00 0.00 H new ATOM 0 HG3 GLU A 85 22.857 -12.542 -19.291 1.00 0.00 H new ATOM 1253 N ASP A 86 19.564 -10.242 -17.441 1.00 0.00 N ATOM 1254 CA ASP A 86 18.207 -9.961 -16.984 1.00 0.00 C ATOM 1255 C ASP A 86 17.595 -11.185 -16.312 1.00 0.00 C ATOM 1256 O ASP A 86 18.132 -12.297 -16.504 1.00 0.00 O ATOM 1257 CB ASP A 86 17.333 -9.520 -18.159 1.00 0.00 C ATOM 1258 CG ASP A 86 17.569 -10.353 -19.402 1.00 0.00 C ATOM 1259 OD1 ASP A 86 18.498 -10.024 -20.171 1.00 0.00 O ATOM 1260 OD2 ASP A 86 16.826 -11.336 -19.609 1.00 0.00 O ATOM 1261 OXT ASP A 86 16.583 -11.023 -15.598 1.00 0.00 O ATOM 0 H ASP A 86 19.620 -10.625 -18.385 1.00 0.00 H new ATOM 0 HA ASP A 86 18.256 -9.154 -16.253 1.00 0.00 H new ATOM 0 HB2 ASP A 86 16.283 -9.589 -17.873 1.00 0.00 H new ATOM 0 HB3 ASP A 86 17.534 -8.473 -18.384 1.00 0.00 H new TER 1266 ASP A 86