USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 396 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 12 LYS NZ :NH3+ -130:sc= 0.671 (180deg=-1.73) USER MOD Set 1.2: A 39 SER OG : rot 75:sc= 1.79 USER MOD Set 1.3: A 56 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot -170:sc= 1.03 USER MOD Set 2.2: A 54 SER OG : rot -60:sc= 1.57 USER MOD Set 2.3: A 57 ASN : amide:sc= 0.579 K(o=3.2,f=0.65) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 171:sc= 2.18 (180deg=2.01) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -74:sc= 0.208 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.789 K(o=0.79,f=-5.3!) USER MOD Single : A 19 ASN : amide:sc= -0.763 K(o=-0.76,f=-1.7) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.894 X(o=-0.89,f=-0.72) USER MOD Single : A 24 GLN : amide:sc= -0.0737 K(o=-0.074,f=-0.77) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 1.27 (180deg=0.647) USER MOD Single : A 27 MET CE :methyl -144:sc=-0.00211 (180deg=-0.0565) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.255 (180deg=0.213) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.459 K(o=-0.46,f=-1.1) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.638 X(o=-0.64,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 0.785 1.212 1.00 10.00 C ATOM 4 O LYS A 1 1.653 1.967 1.362 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.519 -1.336 1.00 10.00 C ATOM 6 CG LYS A 1 3.517 0.455 -1.376 1.00 10.00 C ATOM 7 CD LYS A 1 4.054 0.989 -2.705 1.00 10.00 C ATOM 8 CE LYS A 1 5.581 0.908 -2.753 1.00 10.00 C ATOM 9 NZ LYS A 1 6.094 1.525 -3.996 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.533 -0.823 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.446 0.873 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.979 -0.050 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -1.017 0.097 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.575 -0.073 -2.152 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.660 1.547 -1.489 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.930 1.037 -0.552 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.845 -0.575 -1.235 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.630 0.415 -3.529 1.00 10.00 H new ATOM 0 HD3 LYS A 1 3.737 2.023 -2.840 1.00 10.00 H new ATOM 0 HE2 LYS A 1 6.005 1.415 -1.886 1.00 10.00 H new ATOM 0 HE3 LYS A 1 5.898 -0.134 -2.700 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 7.130 1.600 -3.945 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 5.829 0.936 -4.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 5.684 2.474 -4.107 1.00 10.00 H new ATOM 22 N ASP A 2 2.724 0.096 2.046 1.00 10.00 N ATOM 23 CA ASP A 2 3.263 0.711 3.247 1.00 10.00 C ATOM 24 C ASP A 2 4.654 0.138 3.527 1.00 10.00 C ATOM 25 O ASP A 2 4.940 -1.006 3.175 1.00 10.00 O ATOM 26 CB ASP A 2 2.378 0.419 4.460 1.00 10.00 C ATOM 27 CG ASP A 2 0.873 0.509 4.200 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.142 -0.484 4.332 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.451 1.674 3.842 1.00 10.00 O ATOM 0 H ASP A 2 2.983 -0.882 1.914 1.00 10.00 H new ATOM 0 HA ASP A 2 3.307 1.788 3.084 1.00 10.00 H new ATOM 0 HB2 ASP A 2 2.609 -0.581 4.827 1.00 10.00 H new ATOM 0 HB3 ASP A 2 2.636 1.118 5.256 1.00 10.00 H new ATOM 35 N GLY A 3 5.481 0.958 4.158 1.00 10.00 N ATOM 36 CA GLY A 3 6.840 0.552 4.476 1.00 10.00 C ATOM 37 C GLY A 3 7.732 1.770 4.723 1.00 10.00 C ATOM 38 O GLY A 3 7.236 2.867 4.975 1.00 10.00 O ATOM 0 H GLY A 3 5.237 1.902 4.458 1.00 10.00 H new ATOM 0 HA2 GLY A 3 6.836 -0.085 5.360 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.247 -0.041 3.657 1.00 10.00 H new ATOM 42 N TYR A 4 9.034 1.536 4.641 1.00 10.00 N ATOM 43 CA TYR A 4 9.998 2.616 4.769 1.00 10.00 C ATOM 44 C TYR A 4 10.464 3.100 3.394 1.00 10.00 C ATOM 45 O TYR A 4 11.049 2.335 2.628 1.00 10.00 O ATOM 46 CB TYR A 4 11.193 2.028 5.521 1.00 10.00 C ATOM 47 CG TYR A 4 10.806 1.104 6.678 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.275 1.634 7.837 1.00 10.00 C ATOM 49 CD2 TYR A 4 10.988 -0.259 6.563 1.00 10.00 C ATOM 50 CE1 TYR A 4 9.911 0.764 8.925 1.00 10.00 C ATOM 51 CE2 TYR A 4 10.625 -1.129 7.651 1.00 10.00 C ATOM 52 CZ TYR A 4 10.104 -0.574 8.779 1.00 10.00 C ATOM 53 OH TYR A 4 9.760 -1.396 9.807 1.00 10.00 O ATOM 0 H TYR A 4 9.444 0.615 4.488 1.00 10.00 H new ATOM 0 HA TYR A 4 9.555 3.466 5.288 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.814 1.473 4.818 1.00 10.00 H new ATOM 0 HB3 TYR A 4 11.802 2.844 5.909 1.00 10.00 H new ATOM 0 HD1 TYR A 4 10.133 2.701 7.928 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.403 -0.673 5.656 1.00 10.00 H new ATOM 0 HE1 TYR A 4 9.494 1.165 9.837 1.00 10.00 H new ATOM 0 HE2 TYR A 4 10.763 -2.197 7.574 1.00 10.00 H new ATOM 0 HH TYR A 4 9.952 -2.325 9.561 1.00 10.00 H new ATOM 63 N PRO A 5 10.180 4.400 3.116 1.00 10.00 N ATOM 64 CA PRO A 5 10.623 5.014 1.875 1.00 10.00 C ATOM 65 C PRO A 5 12.123 5.314 1.916 1.00 10.00 C ATOM 66 O PRO A 5 12.631 5.822 2.915 1.00 10.00 O ATOM 67 CB PRO A 5 9.771 6.265 1.730 1.00 10.00 C ATOM 68 CG PRO A 5 9.214 6.553 3.114 1.00 10.00 C ATOM 69 CD PRO A 5 9.434 5.318 3.972 1.00 10.00 C ATOM 0 HA PRO A 5 10.497 4.359 1.013 1.00 10.00 H new ATOM 0 HB2 PRO A 5 10.366 7.103 1.367 1.00 10.00 H new ATOM 0 HB3 PRO A 5 8.967 6.109 1.010 1.00 10.00 H new ATOM 0 HG2 PRO A 5 9.712 7.417 3.554 1.00 10.00 H new ATOM 0 HG3 PRO A 5 8.152 6.793 3.056 1.00 10.00 H new ATOM 0 HD2 PRO A 5 9.993 5.559 4.876 1.00 10.00 H new ATOM 0 HD3 PRO A 5 8.487 4.882 4.289 1.00 10.00 H new ATOM 77 N VAL A 6 12.789 4.986 0.819 1.00 10.00 N ATOM 78 CA VAL A 6 14.179 5.373 0.644 1.00 10.00 C ATOM 79 C VAL A 6 14.412 5.775 -0.814 1.00 10.00 C ATOM 80 O VAL A 6 13.863 5.159 -1.726 1.00 10.00 O ATOM 81 CB VAL A 6 15.099 4.242 1.107 1.00 10.00 C ATOM 82 CG1 VAL A 6 14.973 4.016 2.615 1.00 10.00 C ATOM 83 CG2 VAL A 6 14.817 2.953 0.333 1.00 10.00 C ATOM 0 H VAL A 6 12.392 4.457 0.042 1.00 10.00 H new ATOM 0 HA VAL A 6 14.415 6.239 1.262 1.00 10.00 H new ATOM 0 HB VAL A 6 16.127 4.539 0.898 1.00 10.00 H new ATOM 0 HG11 VAL A 6 15.637 3.207 2.918 1.00 10.00 H new ATOM 0 HG12 VAL A 6 15.248 4.929 3.144 1.00 10.00 H new ATOM 0 HG13 VAL A 6 13.944 3.751 2.859 1.00 10.00 H new ATOM 0 HG21 VAL A 6 15.485 2.165 0.682 1.00 10.00 H new ATOM 0 HG22 VAL A 6 13.783 2.650 0.495 1.00 10.00 H new ATOM 0 HG23 VAL A 6 14.982 3.124 -0.731 1.00 10.00 H new ATOM 93 N ASP A 7 15.227 6.805 -0.987 1.00 10.00 N ATOM 94 CA ASP A 7 15.617 7.234 -2.320 1.00 10.00 C ATOM 95 C ASP A 7 16.805 8.192 -2.215 1.00 10.00 C ATOM 96 O ASP A 7 17.935 7.822 -2.528 1.00 10.00 O ATOM 97 CB ASP A 7 14.473 7.974 -3.016 1.00 10.00 C ATOM 98 CG ASP A 7 13.518 8.718 -2.080 1.00 10.00 C ATOM 99 OD1 ASP A 7 12.539 8.144 -1.580 1.00 10.00 O ATOM 100 OD2 ASP A 7 13.817 9.954 -1.867 1.00 10.00 O ATOM 0 H ASP A 7 15.628 7.355 -0.227 1.00 10.00 H new ATOM 0 HA ASP A 7 15.878 6.347 -2.898 1.00 10.00 H new ATOM 0 HB2 ASP A 7 14.898 8.690 -3.720 1.00 10.00 H new ATOM 0 HB3 ASP A 7 13.898 7.255 -3.600 1.00 10.00 H new ATOM 106 N SER A 8 16.509 9.406 -1.772 1.00 10.00 N ATOM 107 CA SER A 8 17.523 10.444 -1.698 1.00 10.00 C ATOM 108 C SER A 8 18.251 10.369 -0.355 1.00 10.00 C ATOM 109 O SER A 8 19.436 10.690 -0.268 1.00 10.00 O ATOM 110 CB SER A 8 16.907 11.830 -1.892 1.00 10.00 C ATOM 111 OG SER A 8 15.860 12.084 -0.959 1.00 10.00 O ATOM 0 H SER A 8 15.581 9.693 -1.461 1.00 10.00 H new ATOM 0 HA SER A 8 18.240 10.280 -2.502 1.00 10.00 H new ATOM 0 HB2 SER A 8 17.681 12.589 -1.784 1.00 10.00 H new ATOM 0 HB3 SER A 8 16.517 11.915 -2.906 1.00 10.00 H new ATOM 0 HG SER A 8 15.064 11.572 -1.213 1.00 10.00 H new ATOM 117 N LYS A 9 17.512 9.945 0.660 1.00 10.00 N ATOM 118 CA LYS A 9 18.044 9.915 2.012 1.00 10.00 C ATOM 119 C LYS A 9 19.035 8.756 2.140 1.00 10.00 C ATOM 120 O LYS A 9 19.926 8.787 2.987 1.00 10.00 O ATOM 121 CB LYS A 9 16.907 9.867 3.034 1.00 10.00 C ATOM 122 CG LYS A 9 16.148 8.542 2.949 1.00 10.00 C ATOM 123 CD LYS A 9 14.650 8.752 3.178 1.00 10.00 C ATOM 124 CE LYS A 9 13.970 9.282 1.913 1.00 10.00 C ATOM 125 NZ LYS A 9 12.500 9.284 2.078 1.00 10.00 N ATOM 0 H LYS A 9 16.549 9.619 0.573 1.00 10.00 H new ATOM 0 HA LYS A 9 18.595 10.831 2.225 1.00 10.00 H new ATOM 0 HB2 LYS A 9 17.311 9.995 4.038 1.00 10.00 H new ATOM 0 HB3 LYS A 9 16.220 10.695 2.858 1.00 10.00 H new ATOM 0 HG2 LYS A 9 16.310 8.088 1.971 1.00 10.00 H new ATOM 0 HG3 LYS A 9 16.539 7.847 3.692 1.00 10.00 H new ATOM 0 HD2 LYS A 9 14.189 7.810 3.476 1.00 10.00 H new ATOM 0 HD3 LYS A 9 14.499 9.454 3.998 1.00 10.00 H new ATOM 0 HE2 LYS A 9 14.320 10.292 1.701 1.00 10.00 H new ATOM 0 HE3 LYS A 9 14.245 8.664 1.059 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 12.054 9.646 1.211 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 12.170 8.315 2.258 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 12.242 9.893 2.881 1.00 10.00 H new ATOM 138 N GLY A 10 18.845 7.760 1.286 1.00 10.00 N ATOM 139 CA GLY A 10 19.717 6.597 1.287 1.00 10.00 C ATOM 140 C GLY A 10 19.334 5.627 2.406 1.00 10.00 C ATOM 141 O GLY A 10 18.724 4.590 2.152 1.00 10.00 O ATOM 0 H GLY A 10 18.101 7.735 0.589 1.00 10.00 H new ATOM 0 HA2 GLY A 10 19.655 6.090 0.324 1.00 10.00 H new ATOM 0 HA3 GLY A 10 20.752 6.914 1.414 1.00 10.00 H new ATOM 145 N CYS A 11 19.709 5.998 3.622 1.00 10.00 N ATOM 146 CA CYS A 11 19.523 5.120 4.764 1.00 10.00 C ATOM 147 C CYS A 11 18.430 5.714 5.654 1.00 10.00 C ATOM 148 O CYS A 11 18.715 6.220 6.738 1.00 10.00 O ATOM 149 CB CYS A 11 20.829 4.904 5.531 1.00 10.00 C ATOM 150 SG CYS A 11 21.635 3.287 5.235 1.00 10.00 S ATOM 0 H CYS A 11 20.141 6.896 3.841 1.00 10.00 H new ATOM 0 HA CYS A 11 19.213 4.133 4.420 1.00 10.00 H new ATOM 0 HB2 CYS A 11 21.527 5.697 5.262 1.00 10.00 H new ATOM 0 HB3 CYS A 11 20.628 5.004 6.598 1.00 10.00 H new ATOM 0 HG CYS A 11 22.730 3.214 5.931 1.00 10.00 H new ATOM 155 N LYS A 12 17.202 5.633 5.163 1.00 10.00 N ATOM 156 CA LYS A 12 16.041 5.786 6.023 1.00 10.00 C ATOM 157 C LYS A 12 15.938 7.243 6.480 1.00 10.00 C ATOM 158 O LYS A 12 16.792 8.063 6.147 1.00 10.00 O ATOM 159 CB LYS A 12 16.092 4.782 7.176 1.00 10.00 C ATOM 160 CG LYS A 12 14.797 3.970 7.254 1.00 10.00 C ATOM 161 CD LYS A 12 14.795 2.840 6.222 1.00 10.00 C ATOM 162 CE LYS A 12 14.306 1.531 6.844 1.00 10.00 C ATOM 163 NZ LYS A 12 15.200 1.115 7.947 1.00 10.00 N ATOM 0 H LYS A 12 16.986 5.463 4.181 1.00 10.00 H new ATOM 0 HA LYS A 12 15.128 5.559 5.473 1.00 10.00 H new ATOM 0 HB2 LYS A 12 16.939 4.110 7.040 1.00 10.00 H new ATOM 0 HB3 LYS A 12 16.251 5.310 8.116 1.00 10.00 H new ATOM 0 HG2 LYS A 12 14.685 3.553 8.255 1.00 10.00 H new ATOM 0 HG3 LYS A 12 13.942 4.625 7.083 1.00 10.00 H new ATOM 0 HD2 LYS A 12 14.154 3.110 5.383 1.00 10.00 H new ATOM 0 HD3 LYS A 12 15.801 2.704 5.824 1.00 10.00 H new ATOM 0 HE2 LYS A 12 13.290 1.657 7.219 1.00 10.00 H new ATOM 0 HE3 LYS A 12 14.270 0.751 6.083 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 15.472 0.120 7.817 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 16.053 1.710 7.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 14.704 1.222 8.855 1.00 10.00 H new ATOM 176 N LEU A 13 14.885 7.520 7.235 1.00 10.00 N ATOM 177 CA LEU A 13 14.860 8.702 8.079 1.00 10.00 C ATOM 178 C LEU A 13 14.644 8.281 9.533 1.00 10.00 C ATOM 179 O LEU A 13 13.641 7.646 9.857 1.00 10.00 O ATOM 180 CB LEU A 13 13.821 9.703 7.567 1.00 10.00 C ATOM 181 CG LEU A 13 12.415 9.148 7.330 1.00 10.00 C ATOM 182 CD1 LEU A 13 11.348 10.132 7.814 1.00 10.00 C ATOM 183 CD2 LEU A 13 12.218 8.765 5.861 1.00 10.00 C ATOM 0 H LEU A 13 14.043 6.946 7.280 1.00 10.00 H new ATOM 0 HA LEU A 13 15.818 9.221 8.037 1.00 10.00 H new ATOM 0 HB2 LEU A 13 13.751 10.522 8.283 1.00 10.00 H new ATOM 0 HB3 LEU A 13 14.185 10.128 6.631 1.00 10.00 H new ATOM 0 HG LEU A 13 12.303 8.237 7.919 1.00 10.00 H new ATOM 0 HD11 LEU A 13 10.358 9.713 7.634 1.00 10.00 H new ATOM 0 HD12 LEU A 13 11.477 10.313 8.881 1.00 10.00 H new ATOM 0 HD13 LEU A 13 11.448 11.073 7.272 1.00 10.00 H new ATOM 0 HD21 LEU A 13 11.211 8.373 5.719 1.00 10.00 H new ATOM 0 HD22 LEU A 13 12.357 9.646 5.234 1.00 10.00 H new ATOM 0 HD23 LEU A 13 12.946 8.003 5.583 1.00 10.00 H new ATOM 195 N SER A 14 15.600 8.652 10.372 1.00 10.00 N ATOM 196 CA SER A 14 15.612 8.186 11.748 1.00 10.00 C ATOM 197 C SER A 14 14.556 8.934 12.563 1.00 10.00 C ATOM 198 O SER A 14 14.873 9.894 13.264 1.00 10.00 O ATOM 199 CB SER A 14 16.994 8.364 12.378 1.00 10.00 C ATOM 200 OG SER A 14 18.011 7.700 11.632 1.00 10.00 O ATOM 0 H SER A 14 16.372 9.271 10.125 1.00 10.00 H new ATOM 0 HA SER A 14 15.376 7.122 11.751 1.00 10.00 H new ATOM 0 HB2 SER A 14 17.228 9.427 12.444 1.00 10.00 H new ATOM 0 HB3 SER A 14 16.981 7.977 13.397 1.00 10.00 H new ATOM 0 HG SER A 14 18.879 7.839 12.066 1.00 10.00 H new ATOM 206 N CYS A 15 13.322 8.467 12.445 1.00 10.00 N ATOM 207 CA CYS A 15 12.228 9.040 13.211 1.00 10.00 C ATOM 208 C CYS A 15 12.537 8.862 14.699 1.00 10.00 C ATOM 209 O CYS A 15 13.104 7.847 15.101 1.00 10.00 O ATOM 210 CB CYS A 15 10.883 8.418 12.829 1.00 10.00 C ATOM 211 SG CYS A 15 10.826 6.592 12.930 1.00 10.00 S ATOM 0 H CYS A 15 13.055 7.698 11.830 1.00 10.00 H new ATOM 0 HA CYS A 15 12.140 10.103 12.984 1.00 10.00 H new ATOM 0 HB2 CYS A 15 10.111 8.828 13.480 1.00 10.00 H new ATOM 0 HB3 CYS A 15 10.635 8.720 11.811 1.00 10.00 H new ATOM 216 N VAL A 16 12.151 9.863 15.475 1.00 10.00 N ATOM 217 CA VAL A 16 12.359 9.819 16.912 1.00 10.00 C ATOM 218 C VAL A 16 11.034 9.494 17.605 1.00 10.00 C ATOM 219 O VAL A 16 11.009 9.202 18.799 1.00 10.00 O ATOM 220 CB VAL A 16 12.978 11.133 17.393 1.00 10.00 C ATOM 221 CG1 VAL A 16 11.915 12.228 17.514 1.00 10.00 C ATOM 222 CG2 VAL A 16 13.718 10.939 18.717 1.00 10.00 C ATOM 0 H VAL A 16 11.695 10.710 15.136 1.00 10.00 H new ATOM 0 HA VAL A 16 13.064 9.029 17.171 1.00 10.00 H new ATOM 0 HB VAL A 16 13.706 11.453 16.647 1.00 10.00 H new ATOM 0 HG11 VAL A 16 12.381 13.151 17.858 1.00 10.00 H new ATOM 0 HG12 VAL A 16 11.452 12.395 16.541 1.00 10.00 H new ATOM 0 HG13 VAL A 16 11.153 11.918 18.229 1.00 10.00 H new ATOM 0 HG21 VAL A 16 14.148 11.888 19.036 1.00 10.00 H new ATOM 0 HG22 VAL A 16 13.020 10.584 19.475 1.00 10.00 H new ATOM 0 HG23 VAL A 16 14.514 10.206 18.585 1.00 10.00 H new ATOM 232 N ALA A 17 9.965 9.555 16.825 1.00 10.00 N ATOM 233 CA ALA A 17 8.626 9.460 17.381 1.00 10.00 C ATOM 234 C ALA A 17 7.626 9.205 16.252 1.00 10.00 C ATOM 235 O ALA A 17 7.932 9.434 15.083 1.00 10.00 O ATOM 236 CB ALA A 17 8.307 10.735 18.166 1.00 10.00 C ATOM 0 H ALA A 17 9.999 9.669 15.812 1.00 10.00 H new ATOM 0 HA ALA A 17 8.558 8.623 18.076 1.00 10.00 H new ATOM 0 HB1 ALA A 17 7.302 10.664 18.583 1.00 10.00 H new ATOM 0 HB2 ALA A 17 9.028 10.854 18.975 1.00 10.00 H new ATOM 0 HB3 ALA A 17 8.363 11.596 17.500 1.00 10.00 H new ATOM 242 N ASN A 18 6.449 8.735 16.641 1.00 10.00 N ATOM 243 CA ASN A 18 5.444 8.338 15.670 1.00 10.00 C ATOM 244 C ASN A 18 4.867 9.586 15.000 1.00 10.00 C ATOM 245 O ASN A 18 4.666 9.607 13.786 1.00 10.00 O ATOM 246 CB ASN A 18 4.293 7.589 16.344 1.00 10.00 C ATOM 247 CG ASN A 18 4.770 6.254 16.919 1.00 10.00 C ATOM 248 OD1 ASN A 18 5.113 5.327 16.204 1.00 10.00 O ATOM 249 ND2 ASN A 18 4.772 6.207 18.248 1.00 10.00 N ATOM 0 H ASN A 18 6.170 8.620 17.615 1.00 10.00 H new ATOM 0 HA ASN A 18 5.921 7.685 14.939 1.00 10.00 H new ATOM 0 HB2 ASN A 18 3.872 8.203 17.141 1.00 10.00 H new ATOM 0 HB3 ASN A 18 3.496 7.414 15.622 1.00 10.00 H new ATOM 0 HD21 ASN A 18 5.073 5.359 18.728 1.00 10.00 H new ATOM 0 HD22 ASN A 18 4.472 7.019 18.787 1.00 10.00 H new ATOM 256 N ASN A 19 4.617 10.597 15.819 1.00 10.00 N ATOM 257 CA ASN A 19 4.093 11.856 15.317 1.00 10.00 C ATOM 258 C ASN A 19 5.115 12.488 14.371 1.00 10.00 C ATOM 259 O ASN A 19 4.744 13.132 13.391 1.00 10.00 O ATOM 260 CB ASN A 19 3.833 12.839 16.459 1.00 10.00 C ATOM 261 CG ASN A 19 5.055 12.953 17.373 1.00 10.00 C ATOM 262 OD1 ASN A 19 6.029 13.624 17.070 1.00 10.00 O ATOM 263 ND2 ASN A 19 4.951 12.263 18.505 1.00 10.00 N ATOM 0 H ASN A 19 4.768 10.570 16.827 1.00 10.00 H new ATOM 0 HA ASN A 19 3.156 11.649 14.800 1.00 10.00 H new ATOM 0 HB2 ASN A 19 3.587 13.819 16.051 1.00 10.00 H new ATOM 0 HB3 ASN A 19 2.971 12.509 17.038 1.00 10.00 H new ATOM 0 HD21 ASN A 19 5.714 12.275 19.182 1.00 10.00 H new ATOM 0 HD22 ASN A 19 4.108 11.722 18.697 1.00 10.00 H new ATOM 270 N TYR A 20 6.383 12.283 14.698 1.00 10.00 N ATOM 271 CA TYR A 20 7.461 12.880 13.928 1.00 10.00 C ATOM 272 C TYR A 20 7.607 12.196 12.568 1.00 10.00 C ATOM 273 O TYR A 20 7.940 12.843 11.576 1.00 10.00 O ATOM 274 CB TYR A 20 8.736 12.651 14.741 1.00 10.00 C ATOM 275 CG TYR A 20 9.992 13.260 14.113 1.00 10.00 C ATOM 276 CD1 TYR A 20 10.698 12.554 13.159 1.00 10.00 C ATOM 277 CD2 TYR A 20 10.419 14.514 14.500 1.00 10.00 C ATOM 278 CE1 TYR A 20 11.879 13.127 12.568 1.00 10.00 C ATOM 279 CE2 TYR A 20 11.600 15.086 13.909 1.00 10.00 C ATOM 280 CZ TYR A 20 12.272 14.364 12.972 1.00 10.00 C ATOM 281 OH TYR A 20 13.388 14.905 12.414 1.00 10.00 O ATOM 0 H TYR A 20 6.688 11.712 15.486 1.00 10.00 H new ATOM 0 HA TYR A 20 7.265 13.937 13.747 1.00 10.00 H new ATOM 0 HB2 TYR A 20 8.600 13.072 15.737 1.00 10.00 H new ATOM 0 HB3 TYR A 20 8.888 11.579 14.866 1.00 10.00 H new ATOM 0 HD1 TYR A 20 10.364 11.572 12.856 1.00 10.00 H new ATOM 0 HD2 TYR A 20 9.867 15.066 15.246 1.00 10.00 H new ATOM 0 HE1 TYR A 20 12.440 12.586 11.820 1.00 10.00 H new ATOM 0 HE2 TYR A 20 11.945 16.066 14.203 1.00 10.00 H new ATOM 0 HH TYR A 20 13.548 15.793 12.797 1.00 10.00 H new ATOM 291 N CYS A 21 7.351 10.896 12.565 1.00 10.00 N ATOM 292 CA CYS A 21 7.259 10.154 11.319 1.00 10.00 C ATOM 293 C CYS A 21 6.037 10.660 10.548 1.00 10.00 C ATOM 294 O CYS A 21 6.141 11.007 9.372 1.00 10.00 O ATOM 295 CB CYS A 21 7.196 8.645 11.562 1.00 10.00 C ATOM 296 SG CYS A 21 6.707 7.652 10.104 1.00 10.00 S ATOM 0 H CYS A 21 7.204 10.337 13.406 1.00 10.00 H new ATOM 0 HA CYS A 21 8.158 10.322 10.725 1.00 10.00 H new ATOM 0 HB2 CYS A 21 8.174 8.305 11.904 1.00 10.00 H new ATOM 0 HB3 CYS A 21 6.490 8.450 12.370 1.00 10.00 H new ATOM 301 N ASP A 22 4.909 10.685 11.242 1.00 10.00 N ATOM 302 CA ASP A 22 3.622 10.776 10.573 1.00 10.00 C ATOM 303 C ASP A 22 3.592 12.033 9.702 1.00 10.00 C ATOM 304 O ASP A 22 3.226 11.972 8.530 1.00 10.00 O ATOM 305 CB ASP A 22 2.481 10.876 11.588 1.00 10.00 C ATOM 306 CG ASP A 22 1.076 10.887 10.981 1.00 10.00 C ATOM 307 OD1 ASP A 22 0.631 9.896 10.383 1.00 10.00 O ATOM 308 OD2 ASP A 22 0.419 11.985 11.146 1.00 10.00 O ATOM 0 H ASP A 22 4.859 10.644 12.260 1.00 10.00 H new ATOM 0 HA ASP A 22 3.491 9.878 9.969 1.00 10.00 H new ATOM 0 HB2 ASP A 22 2.555 10.037 12.280 1.00 10.00 H new ATOM 0 HB3 ASP A 22 2.615 11.785 12.174 1.00 10.00 H new ATOM 314 N ASN A 23 3.982 13.144 10.309 1.00 10.00 N ATOM 315 CA ASN A 23 3.906 14.430 9.637 1.00 10.00 C ATOM 316 C ASN A 23 4.939 14.473 8.509 1.00 10.00 C ATOM 317 O ASN A 23 4.731 15.141 7.497 1.00 10.00 O ATOM 318 CB ASN A 23 4.214 15.576 10.604 1.00 10.00 C ATOM 319 CG ASN A 23 5.703 15.615 10.952 1.00 10.00 C ATOM 320 OD1 ASN A 23 6.178 14.926 11.839 1.00 10.00 O ATOM 321 ND2 ASN A 23 6.411 16.457 10.205 1.00 10.00 N ATOM 0 H ASN A 23 4.352 13.180 11.259 1.00 10.00 H new ATOM 0 HA ASN A 23 2.895 14.548 9.248 1.00 10.00 H new ATOM 0 HB2 ASN A 23 3.917 16.524 10.156 1.00 10.00 H new ATOM 0 HB3 ASN A 23 3.627 15.456 11.515 1.00 10.00 H new ATOM 0 HD21 ASN A 23 7.415 16.555 10.359 1.00 10.00 H new ATOM 0 HD22 ASN A 23 5.951 17.005 9.478 1.00 10.00 H new ATOM 328 N GLN A 24 6.030 13.752 8.722 1.00 10.00 N ATOM 329 CA GLN A 24 7.144 13.788 7.790 1.00 10.00 C ATOM 330 C GLN A 24 6.860 12.886 6.587 1.00 10.00 C ATOM 331 O GLN A 24 7.427 13.080 5.513 1.00 10.00 O ATOM 332 CB GLN A 24 8.450 13.387 8.479 1.00 10.00 C ATOM 333 CG GLN A 24 9.658 13.711 7.598 1.00 10.00 C ATOM 334 CD GLN A 24 10.963 13.577 8.385 1.00 10.00 C ATOM 335 OE1 GLN A 24 11.004 13.042 9.481 1.00 10.00 O ATOM 336 NE2 GLN A 24 12.023 14.090 7.768 1.00 10.00 N ATOM 0 H GLN A 24 6.166 13.140 9.526 1.00 10.00 H new ATOM 0 HA GLN A 24 7.259 14.811 7.433 1.00 10.00 H new ATOM 0 HB2 GLN A 24 8.539 13.911 9.431 1.00 10.00 H new ATOM 0 HB3 GLN A 24 8.434 12.320 8.703 1.00 10.00 H new ATOM 0 HG2 GLN A 24 9.677 13.040 6.739 1.00 10.00 H new ATOM 0 HG3 GLN A 24 9.567 14.725 7.208 1.00 10.00 H new ATOM 0 HE21 GLN A 24 11.919 14.524 6.851 1.00 10.00 H new ATOM 0 HE22 GLN A 24 12.941 14.050 8.212 1.00 10.00 H new ATOM 345 N CYS A 25 5.981 11.920 6.808 1.00 10.00 N ATOM 346 CA CYS A 25 5.518 11.068 5.726 1.00 10.00 C ATOM 347 C CYS A 25 4.624 11.902 4.806 1.00 10.00 C ATOM 348 O CYS A 25 4.854 11.961 3.599 1.00 10.00 O ATOM 349 CB CYS A 25 4.794 9.827 6.253 1.00 10.00 C ATOM 350 SG CYS A 25 5.842 8.679 7.219 1.00 10.00 S ATOM 0 H CYS A 25 5.577 11.708 7.720 1.00 10.00 H new ATOM 0 HA CYS A 25 6.373 10.697 5.161 1.00 10.00 H new ATOM 0 HB2 CYS A 25 3.960 10.148 6.877 1.00 10.00 H new ATOM 0 HB3 CYS A 25 4.369 9.285 5.408 1.00 10.00 H new ATOM 355 N LYS A 26 3.624 12.525 5.411 1.00 10.00 N ATOM 356 CA LYS A 26 2.574 13.174 4.646 1.00 10.00 C ATOM 357 C LYS A 26 3.058 14.551 4.187 1.00 10.00 C ATOM 358 O LYS A 26 2.383 15.224 3.410 1.00 10.00 O ATOM 359 CB LYS A 26 1.273 13.217 5.450 1.00 10.00 C ATOM 360 CG LYS A 26 1.296 14.357 6.470 1.00 10.00 C ATOM 361 CD LYS A 26 0.028 14.353 7.326 1.00 10.00 C ATOM 362 CE LYS A 26 0.052 13.205 8.336 1.00 10.00 C ATOM 363 NZ LYS A 26 -0.999 13.395 9.362 1.00 10.00 N ATOM 0 H LYS A 26 3.519 12.594 6.423 1.00 10.00 H new ATOM 0 HA LYS A 26 2.348 12.599 3.748 1.00 10.00 H new ATOM 0 HB2 LYS A 26 0.428 13.346 4.774 1.00 10.00 H new ATOM 0 HB3 LYS A 26 1.128 12.267 5.964 1.00 10.00 H new ATOM 0 HG2 LYS A 26 2.172 14.258 7.111 1.00 10.00 H new ATOM 0 HG3 LYS A 26 1.386 15.312 5.952 1.00 10.00 H new ATOM 0 HD2 LYS A 26 -0.063 15.303 7.852 1.00 10.00 H new ATOM 0 HD3 LYS A 26 -0.848 14.259 6.684 1.00 10.00 H new ATOM 0 HE2 LYS A 26 -0.101 12.257 7.821 1.00 10.00 H new ATOM 0 HE3 LYS A 26 1.030 13.154 8.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 -0.796 12.790 10.183 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 -1.016 14.391 9.661 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 -1.924 13.138 8.963 1.00 10.00 H new ATOM 376 N MET A 27 4.225 14.929 4.688 1.00 10.00 N ATOM 377 CA MET A 27 4.942 16.067 4.138 1.00 10.00 C ATOM 378 C MET A 27 5.010 15.987 2.612 1.00 10.00 C ATOM 379 O MET A 27 4.933 17.007 1.929 1.00 10.00 O ATOM 380 CB MET A 27 6.360 16.103 4.712 1.00 10.00 C ATOM 381 CG MET A 27 7.102 17.363 4.261 1.00 10.00 C ATOM 382 SD MET A 27 8.450 16.923 3.177 1.00 10.00 S ATOM 383 CE MET A 27 9.584 16.219 4.363 1.00 10.00 C ATOM 0 H MET A 27 4.692 14.467 5.469 1.00 10.00 H new ATOM 0 HA MET A 27 4.407 16.976 4.411 1.00 10.00 H new ATOM 0 HB2 MET A 27 6.316 16.072 5.801 1.00 10.00 H new ATOM 0 HB3 MET A 27 6.909 15.218 4.390 1.00 10.00 H new ATOM 0 HG2 MET A 27 6.415 18.035 3.746 1.00 10.00 H new ATOM 0 HG3 MET A 27 7.483 17.901 5.129 1.00 10.00 H new ATOM 0 HE1 MET A 27 10.607 16.469 4.081 1.00 10.00 H new ATOM 0 HE2 MET A 27 9.371 16.622 5.353 1.00 10.00 H new ATOM 0 HE3 MET A 27 9.467 15.135 4.379 1.00 10.00 H new ATOM 393 N LYS A 28 5.154 14.765 2.121 1.00 10.00 N ATOM 394 CA LYS A 28 5.356 14.549 0.698 1.00 10.00 C ATOM 395 C LYS A 28 4.679 13.240 0.285 1.00 10.00 C ATOM 396 O LYS A 28 3.739 13.246 -0.507 1.00 10.00 O ATOM 397 CB LYS A 28 6.845 14.607 0.353 1.00 10.00 C ATOM 398 CG LYS A 28 7.061 14.524 -1.159 1.00 10.00 C ATOM 399 CD LYS A 28 8.526 14.230 -1.489 1.00 10.00 C ATOM 400 CE LYS A 28 9.418 15.419 -1.127 1.00 10.00 C ATOM 401 NZ LYS A 28 10.803 15.191 -1.598 1.00 10.00 N ATOM 0 H LYS A 28 5.135 13.914 2.683 1.00 10.00 H new ATOM 0 HA LYS A 28 4.888 15.347 0.121 1.00 10.00 H new ATOM 0 HB2 LYS A 28 7.275 15.533 0.735 1.00 10.00 H new ATOM 0 HB3 LYS A 28 7.368 13.786 0.844 1.00 10.00 H new ATOM 0 HG2 LYS A 28 6.426 13.743 -1.578 1.00 10.00 H new ATOM 0 HG3 LYS A 28 6.761 15.463 -1.625 1.00 10.00 H new ATOM 0 HD2 LYS A 28 8.855 13.345 -0.944 1.00 10.00 H new ATOM 0 HD3 LYS A 28 8.626 14.006 -2.551 1.00 10.00 H new ATOM 0 HE2 LYS A 28 9.020 16.329 -1.576 1.00 10.00 H new ATOM 0 HE3 LYS A 28 9.415 15.568 -0.047 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 11.395 16.008 -1.344 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 11.185 14.334 -1.150 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 10.803 15.071 -2.631 1.00 10.00 H new ATOM 414 N LYS A 29 5.185 12.148 0.841 1.00 10.00 N ATOM 415 CA LYS A 29 5.119 10.864 0.164 1.00 10.00 C ATOM 416 C LYS A 29 3.718 10.274 0.336 1.00 10.00 C ATOM 417 O LYS A 29 3.069 9.911 -0.644 1.00 10.00 O ATOM 418 CB LYS A 29 6.239 9.943 0.651 1.00 10.00 C ATOM 419 CG LYS A 29 7.609 10.593 0.452 1.00 10.00 C ATOM 420 CD LYS A 29 8.705 9.533 0.324 1.00 10.00 C ATOM 421 CE LYS A 29 8.819 9.032 -1.117 1.00 10.00 C ATOM 422 NZ LYS A 29 9.829 7.955 -1.213 1.00 10.00 N ATOM 0 H LYS A 29 5.642 12.127 1.753 1.00 10.00 H new ATOM 0 HA LYS A 29 5.284 10.988 -0.906 1.00 10.00 H new ATOM 0 HB2 LYS A 29 6.092 9.712 1.706 1.00 10.00 H new ATOM 0 HB3 LYS A 29 6.199 8.998 0.109 1.00 10.00 H new ATOM 0 HG2 LYS A 29 7.594 11.215 -0.443 1.00 10.00 H new ATOM 0 HG3 LYS A 29 7.830 11.250 1.293 1.00 10.00 H new ATOM 0 HD2 LYS A 29 9.659 9.951 0.644 1.00 10.00 H new ATOM 0 HD3 LYS A 29 8.486 8.696 0.987 1.00 10.00 H new ATOM 0 HE2 LYS A 29 7.852 8.663 -1.457 1.00 10.00 H new ATOM 0 HE3 LYS A 29 9.095 9.857 -1.774 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 9.930 7.662 -2.206 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 10.743 8.304 -0.860 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 9.525 7.142 -0.641 1.00 10.00 H new ATOM 435 N ALA A 30 3.293 10.196 1.588 1.00 10.00 N ATOM 436 CA ALA A 30 2.343 9.174 1.994 1.00 10.00 C ATOM 437 C ALA A 30 1.129 9.841 2.643 1.00 10.00 C ATOM 438 O ALA A 30 1.014 11.065 2.643 1.00 10.00 O ATOM 439 CB ALA A 30 3.033 8.180 2.931 1.00 10.00 C ATOM 0 H ALA A 30 3.589 10.824 2.335 1.00 10.00 H new ATOM 0 HA ALA A 30 1.988 8.614 1.129 1.00 10.00 H new ATOM 0 HB1 ALA A 30 2.321 7.413 3.236 1.00 10.00 H new ATOM 0 HB2 ALA A 30 3.870 7.712 2.413 1.00 10.00 H new ATOM 0 HB3 ALA A 30 3.400 8.706 3.813 1.00 10.00 H new ATOM 445 N SER A 31 0.253 9.005 3.182 1.00 10.00 N ATOM 446 CA SER A 31 -0.911 9.500 3.898 1.00 10.00 C ATOM 447 C SER A 31 -0.541 9.800 5.352 1.00 10.00 C ATOM 448 O SER A 31 -1.115 10.695 5.970 1.00 10.00 O ATOM 449 CB SER A 31 -2.062 8.495 3.840 1.00 10.00 C ATOM 450 OG SER A 31 -2.468 8.225 2.501 1.00 10.00 O ATOM 0 H SER A 31 0.326 7.989 3.137 1.00 10.00 H new ATOM 0 HA SER A 31 -1.244 10.420 3.417 1.00 10.00 H new ATOM 0 HB2 SER A 31 -1.756 7.566 4.321 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.910 8.882 4.405 1.00 10.00 H new ATOM 0 HG SER A 31 -3.204 7.578 2.506 1.00 10.00 H new ATOM 456 N GLY A 32 0.416 9.035 5.856 1.00 10.00 N ATOM 457 CA GLY A 32 0.837 9.177 7.239 1.00 10.00 C ATOM 458 C GLY A 32 1.828 8.077 7.626 1.00 10.00 C ATOM 459 O GLY A 32 2.590 7.600 6.787 1.00 10.00 O ATOM 0 H GLY A 32 0.912 8.315 5.331 1.00 10.00 H new ATOM 0 HA2 GLY A 32 1.298 10.154 7.384 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -0.033 9.134 7.894 1.00 10.00 H new ATOM 463 N GLY A 33 1.786 7.707 8.898 1.00 10.00 N ATOM 464 CA GLY A 33 2.381 6.455 9.333 1.00 10.00 C ATOM 465 C GLY A 33 3.019 6.603 10.716 1.00 10.00 C ATOM 466 O GLY A 33 2.720 7.549 11.443 1.00 10.00 O ATOM 0 H GLY A 33 1.349 8.252 9.641 1.00 10.00 H new ATOM 0 HA2 GLY A 33 1.619 5.676 9.362 1.00 10.00 H new ATOM 0 HA3 GLY A 33 3.135 6.137 8.613 1.00 10.00 H new ATOM 470 N HIS A 34 3.885 5.654 11.037 1.00 10.00 N ATOM 471 CA HIS A 34 4.321 5.472 12.411 1.00 10.00 C ATOM 472 C HIS A 34 5.810 5.121 12.435 1.00 10.00 C ATOM 473 O HIS A 34 6.392 4.798 11.401 1.00 10.00 O ATOM 474 CB HIS A 34 3.455 4.431 13.123 1.00 10.00 C ATOM 475 CG HIS A 34 1.970 4.667 12.982 1.00 10.00 C ATOM 476 ND1 HIS A 34 1.361 5.851 13.357 1.00 10.00 N ATOM 477 CD2 HIS A 34 0.981 3.859 12.503 1.00 10.00 C ATOM 478 CE1 HIS A 34 0.063 5.750 13.111 1.00 10.00 C ATOM 479 NE2 HIS A 34 -0.171 4.514 12.582 1.00 10.00 N ATOM 0 H HIS A 34 4.297 5.002 10.369 1.00 10.00 H new ATOM 0 HA HIS A 34 4.194 6.404 12.963 1.00 10.00 H new ATOM 0 HB2 HIS A 34 3.695 3.443 12.729 1.00 10.00 H new ATOM 0 HB3 HIS A 34 3.712 4.423 14.182 1.00 10.00 H new ATOM 0 HD2 HIS A 34 1.113 2.856 12.124 1.00 10.00 H new ATOM 0 HE1 HIS A 34 -0.679 6.512 13.297 1.00 10.00 H new ATOM 0 HE2 HIS A 34 -1.081 4.153 12.295 1.00 10.00 H new ATOM 487 N CYS A 35 6.384 5.196 13.627 1.00 10.00 N ATOM 488 CA CYS A 35 7.824 5.072 13.773 1.00 10.00 C ATOM 489 C CYS A 35 8.134 3.671 14.304 1.00 10.00 C ATOM 490 O CYS A 35 8.021 3.418 15.502 1.00 10.00 O ATOM 491 CB CYS A 35 8.397 6.165 14.679 1.00 10.00 C ATOM 492 SG CYS A 35 10.222 6.171 14.814 1.00 10.00 S ATOM 0 H CYS A 35 5.878 5.341 14.500 1.00 10.00 H new ATOM 0 HA CYS A 35 8.303 5.207 12.803 1.00 10.00 H new ATOM 0 HB2 CYS A 35 8.071 7.135 14.305 1.00 10.00 H new ATOM 0 HB3 CYS A 35 7.973 6.050 15.677 1.00 10.00 H new ATOM 497 N TYR A 36 8.519 2.797 13.385 1.00 10.00 N ATOM 498 CA TYR A 36 8.757 1.406 13.729 1.00 10.00 C ATOM 499 C TYR A 36 10.217 1.021 13.481 1.00 10.00 C ATOM 500 O TYR A 36 10.783 1.356 12.441 1.00 10.00 O ATOM 501 CB TYR A 36 7.861 0.583 12.801 1.00 10.00 C ATOM 502 CG TYR A 36 7.477 -0.788 13.361 1.00 10.00 C ATOM 503 CD1 TYR A 36 8.366 -1.840 13.280 1.00 10.00 C ATOM 504 CD2 TYR A 36 6.241 -0.972 13.947 1.00 10.00 C ATOM 505 CE1 TYR A 36 8.005 -3.130 13.807 1.00 10.00 C ATOM 506 CE2 TYR A 36 5.880 -2.263 14.474 1.00 10.00 C ATOM 507 CZ TYR A 36 6.779 -3.278 14.378 1.00 10.00 C ATOM 508 OH TYR A 36 6.438 -4.497 14.876 1.00 10.00 O ATOM 0 H TYR A 36 8.672 3.026 12.403 1.00 10.00 H new ATOM 0 HA TYR A 36 8.542 1.230 14.783 1.00 10.00 H new ATOM 0 HB2 TYR A 36 6.952 1.148 12.596 1.00 10.00 H new ATOM 0 HB3 TYR A 36 8.372 0.445 11.848 1.00 10.00 H new ATOM 0 HD1 TYR A 36 9.333 -1.696 12.821 1.00 10.00 H new ATOM 0 HD2 TYR A 36 5.545 -0.149 14.010 1.00 10.00 H new ATOM 0 HE1 TYR A 36 8.692 -3.962 13.750 1.00 10.00 H new ATOM 0 HE2 TYR A 36 4.916 -2.421 14.935 1.00 10.00 H new ATOM 0 HH TYR A 36 5.535 -4.455 15.254 1.00 10.00 H new ATOM 518 N ALA A 37 10.785 0.324 14.454 1.00 10.00 N ATOM 519 CA ALA A 37 12.184 -0.063 14.378 1.00 10.00 C ATOM 520 C ALA A 37 13.017 1.136 13.923 1.00 10.00 C ATOM 521 O ALA A 37 13.637 1.098 12.861 1.00 10.00 O ATOM 522 CB ALA A 37 12.331 -1.265 13.443 1.00 10.00 C ATOM 0 H ALA A 37 10.303 0.017 15.299 1.00 10.00 H new ATOM 0 HA ALA A 37 12.552 -0.366 15.358 1.00 10.00 H new ATOM 0 HB1 ALA A 37 13.380 -1.555 13.386 1.00 10.00 H new ATOM 0 HB2 ALA A 37 11.744 -2.099 13.828 1.00 10.00 H new ATOM 0 HB3 ALA A 37 11.974 -0.998 12.448 1.00 10.00 H new ATOM 528 N MET A 38 13.004 2.173 14.748 1.00 10.00 N ATOM 529 CA MET A 38 13.685 3.410 14.406 1.00 10.00 C ATOM 530 C MET A 38 13.678 3.640 12.893 1.00 10.00 C ATOM 531 O MET A 38 14.715 3.935 12.302 1.00 10.00 O ATOM 532 CB MET A 38 15.129 3.354 14.907 1.00 10.00 C ATOM 533 CG MET A 38 15.844 2.109 14.380 1.00 10.00 C ATOM 534 SD MET A 38 17.578 2.177 14.800 1.00 10.00 S ATOM 535 CE MET A 38 18.149 0.685 14.002 1.00 10.00 C ATOM 0 H MET A 38 12.532 2.182 15.652 1.00 10.00 H new ATOM 0 HA MET A 38 13.158 4.236 14.883 1.00 10.00 H new ATOM 0 HB2 MET A 38 15.664 4.248 14.586 1.00 10.00 H new ATOM 0 HB3 MET A 38 15.140 3.350 15.997 1.00 10.00 H new ATOM 0 HG2 MET A 38 15.393 1.213 14.806 1.00 10.00 H new ATOM 0 HG3 MET A 38 15.726 2.042 13.299 1.00 10.00 H new ATOM 0 HE1 MET A 38 19.221 0.572 14.166 1.00 10.00 H new ATOM 0 HE2 MET A 38 17.625 -0.175 14.420 1.00 10.00 H new ATOM 0 HE3 MET A 38 17.950 0.746 12.932 1.00 10.00 H new ATOM 545 N SER A 39 12.497 3.495 12.310 1.00 10.00 N ATOM 546 CA SER A 39 12.321 3.775 10.895 1.00 10.00 C ATOM 547 C SER A 39 10.881 4.212 10.623 1.00 10.00 C ATOM 548 O SER A 39 9.937 3.587 11.104 1.00 10.00 O ATOM 549 CB SER A 39 12.675 2.553 10.044 1.00 10.00 C ATOM 550 OG SER A 39 14.021 2.132 10.248 1.00 10.00 O ATOM 0 H SER A 39 11.652 3.187 12.792 1.00 10.00 H new ATOM 0 HA SER A 39 12.997 4.584 10.620 1.00 10.00 H new ATOM 0 HB2 SER A 39 11.998 1.734 10.287 1.00 10.00 H new ATOM 0 HB3 SER A 39 12.525 2.789 8.991 1.00 10.00 H new ATOM 0 HG SER A 39 14.093 1.672 11.110 1.00 10.00 H new ATOM 556 N CYS A 40 10.757 5.282 9.851 1.00 10.00 N ATOM 557 CA CYS A 40 9.453 5.867 9.588 1.00 10.00 C ATOM 558 C CYS A 40 8.686 4.930 8.653 1.00 10.00 C ATOM 559 O CYS A 40 8.859 4.982 7.437 1.00 10.00 O ATOM 560 CB CYS A 40 9.573 7.278 9.008 1.00 10.00 C ATOM 561 SG CYS A 40 7.978 8.089 8.625 1.00 10.00 S ATOM 0 H CYS A 40 11.538 5.759 9.400 1.00 10.00 H new ATOM 0 HA CYS A 40 8.904 5.975 10.524 1.00 10.00 H new ATOM 0 HB2 CYS A 40 10.121 7.901 9.715 1.00 10.00 H new ATOM 0 HB3 CYS A 40 10.169 7.231 8.096 1.00 10.00 H new ATOM 566 N TYR A 41 7.853 4.095 9.258 1.00 10.00 N ATOM 567 CA TYR A 41 6.961 3.241 8.492 1.00 10.00 C ATOM 568 C TYR A 41 5.782 4.041 7.935 1.00 10.00 C ATOM 569 O TYR A 41 4.766 4.205 8.609 1.00 10.00 O ATOM 570 CB TYR A 41 6.434 2.193 9.473 1.00 10.00 C ATOM 571 CG TYR A 41 5.618 1.079 8.815 1.00 10.00 C ATOM 572 CD1 TYR A 41 6.261 0.040 8.173 1.00 10.00 C ATOM 573 CD2 TYR A 41 4.239 1.113 8.862 1.00 10.00 C ATOM 574 CE1 TYR A 41 5.493 -1.009 7.553 1.00 10.00 C ATOM 575 CE2 TYR A 41 3.471 0.065 8.242 1.00 10.00 C ATOM 576 CZ TYR A 41 4.136 -0.945 7.619 1.00 10.00 C ATOM 577 OH TYR A 41 3.410 -1.935 7.033 1.00 10.00 O ATOM 0 H TYR A 41 7.777 3.992 10.270 1.00 10.00 H new ATOM 0 HA TYR A 41 7.487 2.795 7.648 1.00 10.00 H new ATOM 0 HB2 TYR A 41 7.277 1.748 10.001 1.00 10.00 H new ATOM 0 HB3 TYR A 41 5.815 2.689 10.221 1.00 10.00 H new ATOM 0 HD1 TYR A 41 7.340 0.014 8.136 1.00 10.00 H new ATOM 0 HD2 TYR A 41 3.736 1.926 9.364 1.00 10.00 H new ATOM 0 HE1 TYR A 41 5.983 -1.828 7.047 1.00 10.00 H new ATOM 0 HE2 TYR A 41 2.391 0.080 8.271 1.00 10.00 H new ATOM 0 HH TYR A 41 2.454 -1.759 7.160 1.00 10.00 H new ATOM 587 N CYS A 42 5.956 4.518 6.711 1.00 10.00 N ATOM 588 CA CYS A 42 4.996 5.435 6.121 1.00 10.00 C ATOM 589 C CYS A 42 3.893 4.612 5.453 1.00 10.00 C ATOM 590 O CYS A 42 4.144 3.511 4.966 1.00 10.00 O ATOM 591 CB CYS A 42 5.664 6.399 5.139 1.00 10.00 C ATOM 592 SG CYS A 42 6.848 7.569 5.897 1.00 10.00 S ATOM 0 H CYS A 42 6.748 4.286 6.112 1.00 10.00 H new ATOM 0 HA CYS A 42 4.560 6.060 6.900 1.00 10.00 H new ATOM 0 HB2 CYS A 42 6.186 5.817 4.379 1.00 10.00 H new ATOM 0 HB3 CYS A 42 4.889 6.969 4.627 1.00 10.00 H new ATOM 597 N GLU A 43 2.695 5.178 5.452 1.00 10.00 N ATOM 598 CA GLU A 43 1.511 4.422 5.080 1.00 10.00 C ATOM 599 C GLU A 43 0.842 5.052 3.855 1.00 10.00 C ATOM 600 O GLU A 43 0.595 6.256 3.830 1.00 10.00 O ATOM 601 CB GLU A 43 0.530 4.327 6.251 1.00 10.00 C ATOM 602 CG GLU A 43 1.059 3.383 7.332 1.00 10.00 C ATOM 603 CD GLU A 43 0.103 3.326 8.526 1.00 10.00 C ATOM 604 OE1 GLU A 43 -0.920 4.028 8.534 1.00 10.00 O ATOM 605 OE2 GLU A 43 0.453 2.517 9.467 1.00 10.00 O ATOM 0 H GLU A 43 2.519 6.151 5.703 1.00 10.00 H new ATOM 0 HA GLU A 43 1.818 3.408 4.822 1.00 10.00 H new ATOM 0 HB2 GLU A 43 0.368 5.318 6.676 1.00 10.00 H new ATOM 0 HB3 GLU A 43 -0.436 3.971 5.893 1.00 10.00 H new ATOM 0 HG2 GLU A 43 1.187 2.384 6.916 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.042 3.719 7.664 1.00 10.00 H new ATOM 613 N GLY A 44 0.570 4.208 2.871 1.00 10.00 N ATOM 614 CA GLY A 44 -0.069 4.666 1.649 1.00 10.00 C ATOM 615 C GLY A 44 0.943 5.337 0.718 1.00 10.00 C ATOM 616 O GLY A 44 0.773 6.495 0.342 1.00 10.00 O ATOM 0 H GLY A 44 0.780 3.210 2.895 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -0.533 3.822 1.139 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -0.866 5.369 1.893 1.00 10.00 H new ATOM 620 N LEU A 45 1.975 4.580 0.374 1.00 10.00 N ATOM 621 CA LEU A 45 3.070 5.121 -0.412 1.00 10.00 C ATOM 622 C LEU A 45 2.743 4.978 -1.900 1.00 10.00 C ATOM 623 O LEU A 45 1.954 4.117 -2.286 1.00 10.00 O ATOM 624 CB LEU A 45 4.393 4.468 -0.008 1.00 10.00 C ATOM 625 CG LEU A 45 4.980 4.916 1.332 1.00 10.00 C ATOM 626 CD1 LEU A 45 5.935 3.860 1.893 1.00 10.00 C ATOM 627 CD2 LEU A 45 5.650 6.286 1.207 1.00 10.00 C ATOM 0 H LEU A 45 2.075 3.597 0.625 1.00 10.00 H new ATOM 0 HA LEU A 45 3.193 6.186 -0.213 1.00 10.00 H new ATOM 0 HB2 LEU A 45 4.247 3.388 0.024 1.00 10.00 H new ATOM 0 HB3 LEU A 45 5.127 4.667 -0.789 1.00 10.00 H new ATOM 0 HG LEU A 45 4.162 5.022 2.045 1.00 10.00 H new ATOM 0 HD11 LEU A 45 6.338 4.203 2.846 1.00 10.00 H new ATOM 0 HD12 LEU A 45 5.396 2.925 2.043 1.00 10.00 H new ATOM 0 HD13 LEU A 45 6.752 3.699 1.190 1.00 10.00 H new ATOM 0 HD21 LEU A 45 6.059 6.581 2.174 1.00 10.00 H new ATOM 0 HD22 LEU A 45 6.455 6.232 0.474 1.00 10.00 H new ATOM 0 HD23 LEU A 45 4.914 7.023 0.884 1.00 10.00 H new ATOM 639 N PRO A 46 3.384 5.857 -2.716 1.00 10.00 N ATOM 640 CA PRO A 46 3.231 5.786 -4.160 1.00 10.00 C ATOM 641 C PRO A 46 4.028 4.615 -4.738 1.00 10.00 C ATOM 642 O PRO A 46 5.036 4.203 -4.167 1.00 10.00 O ATOM 643 CB PRO A 46 3.703 7.137 -4.672 1.00 10.00 C ATOM 644 CG PRO A 46 4.534 7.740 -3.552 1.00 10.00 C ATOM 645 CD PRO A 46 4.267 6.938 -2.289 1.00 10.00 C ATOM 0 HA PRO A 46 2.202 5.597 -4.466 1.00 10.00 H new ATOM 0 HB2 PRO A 46 4.295 7.025 -5.581 1.00 10.00 H new ATOM 0 HB3 PRO A 46 2.857 7.778 -4.919 1.00 10.00 H new ATOM 0 HG2 PRO A 46 5.594 7.711 -3.805 1.00 10.00 H new ATOM 0 HG3 PRO A 46 4.270 8.787 -3.402 1.00 10.00 H new ATOM 0 HD2 PRO A 46 5.192 6.549 -1.864 1.00 10.00 H new ATOM 0 HD3 PRO A 46 3.797 7.553 -1.521 1.00 10.00 H new ATOM 653 N GLU A 47 3.545 4.111 -5.865 1.00 10.00 N ATOM 654 CA GLU A 47 3.988 2.818 -6.357 1.00 10.00 C ATOM 655 C GLU A 47 5.382 2.935 -6.976 1.00 10.00 C ATOM 656 O GLU A 47 6.079 1.934 -7.139 1.00 10.00 O ATOM 657 CB GLU A 47 2.989 2.242 -7.361 1.00 10.00 C ATOM 658 CG GLU A 47 3.110 2.940 -8.717 1.00 10.00 C ATOM 659 CD GLU A 47 1.938 2.571 -9.630 1.00 10.00 C ATOM 660 OE1 GLU A 47 2.008 1.566 -10.354 1.00 10.00 O ATOM 661 OE2 GLU A 47 0.928 3.370 -9.570 1.00 10.00 O ATOM 0 H GLU A 47 2.851 4.575 -6.451 1.00 10.00 H new ATOM 0 HA GLU A 47 4.043 2.130 -5.514 1.00 10.00 H new ATOM 0 HB2 GLU A 47 3.164 1.173 -7.481 1.00 10.00 H new ATOM 0 HB3 GLU A 47 1.975 2.358 -6.978 1.00 10.00 H new ATOM 0 HG2 GLU A 47 3.137 4.020 -8.573 1.00 10.00 H new ATOM 0 HG3 GLU A 47 4.049 2.658 -9.193 1.00 10.00 H new ATOM 669 N ASN A 48 5.748 4.165 -7.305 1.00 10.00 N ATOM 670 CA ASN A 48 6.978 4.410 -8.039 1.00 10.00 C ATOM 671 C ASN A 48 8.141 4.523 -7.052 1.00 10.00 C ATOM 672 O ASN A 48 9.303 4.545 -7.456 1.00 10.00 O ATOM 673 CB ASN A 48 6.898 5.719 -8.827 1.00 10.00 C ATOM 674 CG ASN A 48 6.829 6.923 -7.885 1.00 10.00 C ATOM 675 OD1 ASN A 48 5.769 7.344 -7.451 1.00 10.00 O ATOM 676 ND2 ASN A 48 8.014 7.451 -7.594 1.00 10.00 N ATOM 0 H ASN A 48 5.214 5.003 -7.077 1.00 10.00 H new ATOM 0 HA ASN A 48 7.129 3.581 -8.731 1.00 10.00 H new ATOM 0 HB2 ASN A 48 7.769 5.810 -9.476 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.019 5.706 -9.472 1.00 10.00 H new ATOM 0 HD21 ASN A 48 8.074 8.258 -6.973 1.00 10.00 H new ATOM 0 HD22 ASN A 48 8.863 7.049 -7.992 1.00 10.00 H new ATOM 683 N ALA A 49 7.789 4.591 -5.776 1.00 10.00 N ATOM 684 CA ALA A 49 8.786 4.762 -4.733 1.00 10.00 C ATOM 685 C ALA A 49 9.374 3.399 -4.366 1.00 10.00 C ATOM 686 O ALA A 49 8.651 2.407 -4.287 1.00 10.00 O ATOM 687 CB ALA A 49 8.151 5.465 -3.531 1.00 10.00 C ATOM 0 H ALA A 49 6.827 4.531 -5.441 1.00 10.00 H new ATOM 0 HA ALA A 49 9.605 5.390 -5.084 1.00 10.00 H new ATOM 0 HB1 ALA A 49 8.898 5.594 -2.748 1.00 10.00 H new ATOM 0 HB2 ALA A 49 7.775 6.441 -3.837 1.00 10.00 H new ATOM 0 HB3 ALA A 49 7.327 4.862 -3.150 1.00 10.00 H new ATOM 693 N LYS A 50 10.682 3.392 -4.153 1.00 10.00 N ATOM 694 CA LYS A 50 11.346 2.219 -3.613 1.00 10.00 C ATOM 695 C LYS A 50 11.200 2.211 -2.090 1.00 10.00 C ATOM 696 O LYS A 50 11.507 3.201 -1.428 1.00 10.00 O ATOM 697 CB LYS A 50 12.798 2.157 -4.091 1.00 10.00 C ATOM 698 CG LYS A 50 13.426 0.800 -3.764 1.00 10.00 C ATOM 699 CD LYS A 50 14.168 0.847 -2.427 1.00 10.00 C ATOM 700 CE LYS A 50 14.554 -0.559 -1.964 1.00 10.00 C ATOM 701 NZ LYS A 50 15.121 -0.518 -0.598 1.00 10.00 N ATOM 0 H LYS A 50 11.299 4.181 -4.345 1.00 10.00 H new ATOM 0 HA LYS A 50 10.873 1.310 -3.984 1.00 10.00 H new ATOM 0 HB2 LYS A 50 12.838 2.331 -5.166 1.00 10.00 H new ATOM 0 HB3 LYS A 50 13.375 2.952 -3.618 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.650 0.036 -3.726 1.00 10.00 H new ATOM 0 HG3 LYS A 50 14.117 0.514 -4.557 1.00 10.00 H new ATOM 0 HD2 LYS A 50 15.064 1.460 -2.526 1.00 10.00 H new ATOM 0 HD3 LYS A 50 13.539 1.322 -1.674 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.678 -1.207 -1.981 1.00 10.00 H new ATOM 0 HE3 LYS A 50 15.281 -0.988 -2.653 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.378 -1.481 -0.300 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 15.969 0.084 -0.592 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 14.415 -0.128 0.059 1.00 10.00 H new ATOM 714 N VAL A 51 10.731 1.082 -1.578 1.00 10.00 N ATOM 715 CA VAL A 51 10.448 0.965 -0.158 1.00 10.00 C ATOM 716 C VAL A 51 11.041 -0.344 0.370 1.00 10.00 C ATOM 717 O VAL A 51 11.281 -1.274 -0.398 1.00 10.00 O ATOM 718 CB VAL A 51 8.943 1.081 0.087 1.00 10.00 C ATOM 719 CG1 VAL A 51 8.378 2.347 -0.560 1.00 10.00 C ATOM 720 CG2 VAL A 51 8.208 -0.165 -0.412 1.00 10.00 C ATOM 0 H VAL A 51 10.540 0.240 -2.122 1.00 10.00 H new ATOM 0 HA VAL A 51 10.917 1.780 0.393 1.00 10.00 H new ATOM 0 HB VAL A 51 8.784 1.155 1.163 1.00 10.00 H new ATOM 0 HG11 VAL A 51 7.306 2.405 -0.371 1.00 10.00 H new ATOM 0 HG12 VAL A 51 8.869 3.223 -0.136 1.00 10.00 H new ATOM 0 HG13 VAL A 51 8.555 2.316 -1.635 1.00 10.00 H new ATOM 0 HG21 VAL A 51 7.140 -0.056 -0.226 1.00 10.00 H new ATOM 0 HG22 VAL A 51 8.379 -0.284 -1.482 1.00 10.00 H new ATOM 0 HG23 VAL A 51 8.581 -1.043 0.115 1.00 10.00 H new ATOM 730 N SER A 52 11.259 -0.373 1.676 1.00 10.00 N ATOM 731 CA SER A 52 11.504 -1.628 2.366 1.00 10.00 C ATOM 732 C SER A 52 10.329 -1.954 3.291 1.00 10.00 C ATOM 733 O SER A 52 9.672 -1.051 3.807 1.00 10.00 O ATOM 734 CB SER A 52 12.808 -1.574 3.164 1.00 10.00 C ATOM 735 OG SER A 52 12.907 -2.644 4.099 1.00 10.00 O ATOM 0 H SER A 52 11.271 0.453 2.275 1.00 10.00 H new ATOM 0 HA SER A 52 11.600 -2.416 1.619 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.654 -1.613 2.478 1.00 10.00 H new ATOM 0 HB3 SER A 52 12.870 -0.623 3.693 1.00 10.00 H new ATOM 0 HG SER A 52 13.670 -2.489 4.694 1.00 10.00 H new ATOM 741 N ASP A 53 10.100 -3.247 3.471 1.00 10.00 N ATOM 742 CA ASP A 53 9.147 -3.706 4.467 1.00 10.00 C ATOM 743 C ASP A 53 9.691 -4.965 5.144 1.00 10.00 C ATOM 744 O ASP A 53 8.981 -5.962 5.273 1.00 10.00 O ATOM 745 CB ASP A 53 7.804 -4.058 3.823 1.00 10.00 C ATOM 746 CG ASP A 53 7.883 -5.056 2.667 1.00 10.00 C ATOM 747 OD1 ASP A 53 8.172 -4.684 1.520 1.00 10.00 O ATOM 748 OD2 ASP A 53 7.630 -6.281 2.986 1.00 10.00 O ATOM 0 H ASP A 53 10.558 -3.991 2.944 1.00 10.00 H new ATOM 0 HA ASP A 53 9.001 -2.903 5.190 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.146 -4.465 4.590 1.00 10.00 H new ATOM 0 HB3 ASP A 53 7.341 -3.141 3.460 1.00 10.00 H new ATOM 754 N SER A 54 10.946 -4.880 5.560 1.00 10.00 N ATOM 755 CA SER A 54 11.723 -6.074 5.844 1.00 10.00 C ATOM 756 C SER A 54 12.386 -5.953 7.218 1.00 10.00 C ATOM 757 O SER A 54 13.491 -6.453 7.424 1.00 10.00 O ATOM 758 CB SER A 54 12.780 -6.314 4.764 1.00 10.00 C ATOM 759 OG SER A 54 13.540 -5.139 4.491 1.00 10.00 O ATOM 0 H SER A 54 11.444 -4.002 5.707 1.00 10.00 H new ATOM 0 HA SER A 54 11.046 -6.929 5.848 1.00 10.00 H new ATOM 0 HB2 SER A 54 13.449 -7.113 5.083 1.00 10.00 H new ATOM 0 HB3 SER A 54 12.293 -6.652 3.849 1.00 10.00 H new ATOM 0 HG SER A 54 12.941 -4.426 4.185 1.00 10.00 H new ATOM 765 N ALA A 55 11.683 -5.286 8.121 1.00 10.00 N ATOM 766 CA ALA A 55 12.139 -5.184 9.497 1.00 10.00 C ATOM 767 C ALA A 55 13.554 -4.603 9.520 1.00 10.00 C ATOM 768 O ALA A 55 14.449 -5.164 10.151 1.00 10.00 O ATOM 769 CB ALA A 55 12.063 -6.560 10.164 1.00 10.00 C ATOM 0 H ALA A 55 10.801 -4.811 7.927 1.00 10.00 H new ATOM 0 HA ALA A 55 11.497 -4.510 10.064 1.00 10.00 H new ATOM 0 HB1 ALA A 55 12.405 -6.483 11.196 1.00 10.00 H new ATOM 0 HB2 ALA A 55 11.033 -6.915 10.149 1.00 10.00 H new ATOM 0 HB3 ALA A 55 12.697 -7.262 9.623 1.00 10.00 H new ATOM 775 N THR A 56 13.712 -3.487 8.824 1.00 10.00 N ATOM 776 CA THR A 56 14.910 -2.677 8.970 1.00 10.00 C ATOM 777 C THR A 56 16.152 -3.492 8.603 1.00 10.00 C ATOM 778 O THR A 56 16.947 -3.845 9.473 1.00 10.00 O ATOM 779 CB THR A 56 14.941 -2.132 10.399 1.00 10.00 C ATOM 780 OG1 THR A 56 13.749 -1.358 10.501 1.00 10.00 O ATOM 781 CG2 THR A 56 16.065 -1.117 10.614 1.00 10.00 C ATOM 0 H THR A 56 13.031 -3.124 8.157 1.00 10.00 H new ATOM 0 HA THR A 56 14.901 -1.830 8.284 1.00 10.00 H new ATOM 0 HB THR A 56 15.059 -2.958 11.100 1.00 10.00 H new ATOM 0 HG1 THR A 56 13.832 -0.726 11.245 1.00 10.00 H new ATOM 0 HG21 THR A 56 16.042 -0.762 11.644 1.00 10.00 H new ATOM 0 HG22 THR A 56 17.026 -1.591 10.415 1.00 10.00 H new ATOM 0 HG23 THR A 56 15.929 -0.274 9.936 1.00 10.00 H new ATOM 789 N ASN A 57 16.281 -3.767 7.313 1.00 10.00 N ATOM 790 CA ASN A 57 17.552 -4.207 6.765 1.00 10.00 C ATOM 791 C ASN A 57 18.412 -2.985 6.438 1.00 10.00 C ATOM 792 O ASN A 57 19.631 -3.094 6.314 1.00 10.00 O ATOM 793 CB ASN A 57 17.350 -5.002 5.474 1.00 10.00 C ATOM 794 CG ASN A 57 17.063 -4.070 4.295 1.00 10.00 C ATOM 795 OD1 ASN A 57 17.957 -3.522 3.672 1.00 10.00 O ATOM 796 ND2 ASN A 57 15.769 -3.921 4.026 1.00 10.00 N ATOM 0 H ASN A 57 15.526 -3.693 6.632 1.00 10.00 H new ATOM 0 HA ASN A 57 18.037 -4.841 7.507 1.00 10.00 H new ATOM 0 HB2 ASN A 57 18.240 -5.595 5.265 1.00 10.00 H new ATOM 0 HB3 ASN A 57 16.523 -5.701 5.599 1.00 10.00 H new ATOM 0 HD21 ASN A 57 15.474 -3.318 3.258 1.00 10.00 H new ATOM 0 HD22 ASN A 57 15.072 -4.410 4.588 1.00 10.00 H new ATOM 803 N ILE A 58 17.743 -1.848 6.306 1.00 10.00 N ATOM 804 CA ILE A 58 18.437 -0.596 6.061 1.00 10.00 C ATOM 805 C ILE A 58 18.834 0.033 7.398 1.00 10.00 C ATOM 806 O ILE A 58 18.235 -0.265 8.430 1.00 10.00 O ATOM 807 CB ILE A 58 17.589 0.322 5.177 1.00 10.00 C ATOM 808 CG1 ILE A 58 17.174 -0.388 3.888 1.00 10.00 C ATOM 809 CG2 ILE A 58 18.316 1.639 4.898 1.00 10.00 C ATOM 810 CD1 ILE A 58 16.213 0.477 3.070 1.00 10.00 C ATOM 0 H ILE A 58 16.728 -1.769 6.364 1.00 10.00 H new ATOM 0 HA ILE A 58 19.358 -0.773 5.506 1.00 10.00 H new ATOM 0 HB ILE A 58 16.675 0.567 5.717 1.00 10.00 H new ATOM 0 HG12 ILE A 58 18.059 -0.617 3.294 1.00 10.00 H new ATOM 0 HG13 ILE A 58 16.698 -1.338 4.129 1.00 10.00 H new ATOM 0 HG21 ILE A 58 17.692 2.273 4.268 1.00 10.00 H new ATOM 0 HG22 ILE A 58 18.518 2.150 5.840 1.00 10.00 H new ATOM 0 HG23 ILE A 58 19.257 1.434 4.387 1.00 10.00 H new ATOM 0 HD11 ILE A 58 15.934 -0.052 2.159 1.00 10.00 H new ATOM 0 HD12 ILE A 58 15.319 0.683 3.658 1.00 10.00 H new ATOM 0 HD13 ILE A 58 16.701 1.416 2.810 1.00 10.00 H new