USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=19 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 38 MET CE :methyl -174:sc= 0 (180deg=-0.0222) USER MOD Set 1.2: A 56 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 77:sc= 1.75 USER MOD Set 2.2: A 54 SER OG : rot -170:sc= 0.876 USER MOD Set 2.3: A 57 ASN : amide:sc= -0.348 X(o=2.3,f=2.6) USER MOD Set 3.1: A 18 ASN : amide:sc= -0.0239 K(o=-0.53,f=-2.7) USER MOD Set 3.2: A 34 HIS : no HE2:sc= -0.501 K(o=-0.53,f=-3) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot -54:sc= 1.58 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 0.666 (180deg=-0.353) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0664 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -1.11 (180deg=-2.22!) USER MOD Single : A 14 SER OG : rot 39:sc= 0.674 USER MOD Single : A 19 ASN : amide:sc= -0.122 K(o=-0.12,f=-3.2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.18 K(o=0.18,f=-0.38) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0.117 (180deg=0.114) USER MOD Single : A 27 MET CE :methyl -167:sc= 0 (180deg=-0.313) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.534 (180deg=0.466) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -16:sc= 0.424 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.845 K(o=-0.85,f=-8.6!) 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 -1.395 -0.372 1.00 10.00 C ATOM 4 O LYS A 1 1.978 -2.296 0.465 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.511 1.339 1.00 10.00 C ATOM 6 CG LYS A 1 3.485 0.819 1.249 1.00 10.00 C ATOM 7 CD LYS A 1 3.728 2.164 0.561 1.00 10.00 C ATOM 8 CE LYS A 1 5.150 2.664 0.822 1.00 10.00 C ATOM 9 NZ LYS A 1 5.425 3.882 0.028 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 0.947 0.253 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.255 -0.947 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 -0.692 0.694 1.00 10.00 H new ATOM 0 HA LYS A 1 1.833 0.689 -0.754 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.446 1.409 1.633 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.814 -0.235 2.114 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.917 0.835 2.249 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.990 0.027 0.696 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.566 2.062 -0.512 1.00 10.00 H new ATOM 0 HD3 LYS A 1 3.008 2.898 0.924 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.277 2.878 1.883 1.00 10.00 H new ATOM 0 HE3 LYS A 1 5.868 1.885 0.565 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.394 4.208 0.217 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 5.323 3.667 -0.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 4.751 4.628 0.293 1.00 10.00 H new ATOM 22 N ASP A 2 2.355 -1.530 -1.629 1.00 10.00 N ATOM 23 CA ASP A 2 2.795 -2.817 -2.142 1.00 10.00 C ATOM 24 C ASP A 2 3.889 -2.597 -3.189 1.00 10.00 C ATOM 25 O ASP A 2 3.846 -1.626 -3.942 1.00 10.00 O ATOM 26 CB ASP A 2 1.642 -3.566 -2.812 1.00 10.00 C ATOM 27 CG ASP A 2 0.332 -3.578 -2.022 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.105 -4.455 -1.175 1.00 10.00 O ATOM 29 OD2 ASP A 2 -0.487 -2.623 -2.308 1.00 10.00 O ATOM 0 H ASP A 2 2.380 -0.769 -2.308 1.00 10.00 H new ATOM 0 HA ASP A 2 3.167 -3.405 -1.303 1.00 10.00 H new ATOM 0 HB2 ASP A 2 1.456 -3.118 -3.788 1.00 10.00 H new ATOM 0 HB3 ASP A 2 1.952 -4.596 -2.988 1.00 10.00 H new ATOM 35 N GLY A 3 4.843 -3.516 -3.202 1.00 10.00 N ATOM 36 CA GLY A 3 5.955 -3.426 -4.133 1.00 10.00 C ATOM 37 C GLY A 3 7.208 -4.088 -3.556 1.00 10.00 C ATOM 38 O GLY A 3 7.111 -5.004 -2.740 1.00 10.00 O ATOM 0 H GLY A 3 4.869 -4.326 -2.583 1.00 10.00 H new ATOM 0 HA2 GLY A 3 5.686 -3.906 -5.074 1.00 10.00 H new ATOM 0 HA3 GLY A 3 6.163 -2.380 -4.357 1.00 10.00 H new ATOM 42 N TYR A 4 8.356 -3.600 -4.003 1.00 10.00 N ATOM 43 CA TYR A 4 9.626 -4.117 -3.523 1.00 10.00 C ATOM 44 C TYR A 4 10.234 -3.187 -2.471 1.00 10.00 C ATOM 45 O TYR A 4 10.575 -2.044 -2.770 1.00 10.00 O ATOM 46 CB TYR A 4 10.551 -4.162 -4.741 1.00 10.00 C ATOM 47 CG TYR A 4 9.857 -4.601 -6.033 1.00 10.00 C ATOM 48 CD1 TYR A 4 9.444 -5.909 -6.184 1.00 10.00 C ATOM 49 CD2 TYR A 4 9.643 -3.688 -7.045 1.00 10.00 C ATOM 50 CE1 TYR A 4 8.792 -6.322 -7.400 1.00 10.00 C ATOM 51 CE2 TYR A 4 8.990 -4.101 -8.261 1.00 10.00 C ATOM 52 CZ TYR A 4 8.597 -5.397 -8.378 1.00 10.00 C ATOM 53 OH TYR A 4 7.980 -5.787 -9.526 1.00 10.00 O ATOM 0 H TYR A 4 8.433 -2.852 -4.692 1.00 10.00 H new ATOM 0 HA TYR A 4 9.492 -5.096 -3.063 1.00 10.00 H new ATOM 0 HB2 TYR A 4 10.985 -3.174 -4.892 1.00 10.00 H new ATOM 0 HB3 TYR A 4 11.375 -4.844 -4.533 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.610 -6.623 -5.391 1.00 10.00 H new ATOM 0 HD2 TYR A 4 9.965 -2.664 -6.926 1.00 10.00 H new ATOM 0 HE1 TYR A 4 8.465 -7.343 -7.532 1.00 10.00 H new ATOM 0 HE2 TYR A 4 8.817 -3.397 -9.061 1.00 10.00 H new ATOM 0 HH TYR A 4 8.453 -6.556 -9.907 1.00 10.00 H new ATOM 63 N PRO A 5 10.355 -3.727 -1.228 1.00 10.00 N ATOM 64 CA PRO A 5 10.891 -2.950 -0.124 1.00 10.00 C ATOM 65 C PRO A 5 12.409 -2.800 -0.244 1.00 10.00 C ATOM 66 O PRO A 5 13.102 -3.746 -0.616 1.00 10.00 O ATOM 67 CB PRO A 5 10.465 -3.699 1.128 1.00 10.00 C ATOM 68 CG PRO A 5 10.111 -5.105 0.672 1.00 10.00 C ATOM 69 CD PRO A 5 9.986 -5.086 -0.843 1.00 10.00 C ATOM 0 HA PRO A 5 10.514 -1.927 -0.108 1.00 10.00 H new ATOM 0 HB2 PRO A 5 11.269 -3.718 1.864 1.00 10.00 H new ATOM 0 HB3 PRO A 5 9.611 -3.215 1.601 1.00 10.00 H new ATOM 0 HG2 PRO A 5 10.880 -5.812 0.983 1.00 10.00 H new ATOM 0 HG3 PRO A 5 9.176 -5.430 1.128 1.00 10.00 H new ATOM 0 HD2 PRO A 5 10.646 -5.821 -1.304 1.00 10.00 H new ATOM 0 HD3 PRO A 5 8.971 -5.326 -1.160 1.00 10.00 H new ATOM 77 N VAL A 6 12.881 -1.605 0.078 1.00 10.00 N ATOM 78 CA VAL A 6 14.268 -1.255 -0.178 1.00 10.00 C ATOM 79 C VAL A 6 14.770 -0.332 0.934 1.00 10.00 C ATOM 80 O VAL A 6 14.540 0.875 0.896 1.00 10.00 O ATOM 81 CB VAL A 6 14.402 -0.638 -1.572 1.00 10.00 C ATOM 82 CG1 VAL A 6 14.480 -1.725 -2.647 1.00 10.00 C ATOM 83 CG2 VAL A 6 13.254 0.332 -1.856 1.00 10.00 C ATOM 0 H VAL A 6 12.328 -0.867 0.514 1.00 10.00 H new ATOM 0 HA VAL A 6 14.895 -2.146 -0.169 1.00 10.00 H new ATOM 0 HB VAL A 6 15.333 -0.071 -1.599 1.00 10.00 H new ATOM 0 HG11 VAL A 6 14.575 -1.260 -3.628 1.00 10.00 H new ATOM 0 HG12 VAL A 6 15.347 -2.359 -2.461 1.00 10.00 H new ATOM 0 HG13 VAL A 6 13.574 -2.331 -2.618 1.00 10.00 H new ATOM 0 HG21 VAL A 6 13.374 0.756 -2.853 1.00 10.00 H new ATOM 0 HG22 VAL A 6 12.305 -0.201 -1.800 1.00 10.00 H new ATOM 0 HG23 VAL A 6 13.264 1.134 -1.117 1.00 10.00 H new ATOM 93 N ASP A 7 15.448 -0.936 1.899 1.00 10.00 N ATOM 94 CA ASP A 7 16.002 -0.182 3.010 1.00 10.00 C ATOM 95 C ASP A 7 17.119 -0.995 3.667 1.00 10.00 C ATOM 96 O ASP A 7 18.295 -0.655 3.543 1.00 10.00 O ATOM 97 CB ASP A 7 14.936 0.100 4.070 1.00 10.00 C ATOM 98 CG ASP A 7 13.769 -0.889 4.093 1.00 10.00 C ATOM 99 OD1 ASP A 7 13.899 -2.018 4.590 1.00 10.00 O ATOM 100 OD2 ASP A 7 12.675 -0.454 3.565 1.00 10.00 O ATOM 0 H ASP A 7 15.626 -1.940 1.934 1.00 10.00 H new ATOM 0 HA ASP A 7 16.382 0.762 2.620 1.00 10.00 H new ATOM 0 HB2 ASP A 7 15.412 0.100 5.051 1.00 10.00 H new ATOM 0 HB3 ASP A 7 14.540 1.102 3.908 1.00 10.00 H new ATOM 106 N SER A 8 16.712 -2.054 4.352 1.00 10.00 N ATOM 107 CA SER A 8 17.659 -2.891 5.069 1.00 10.00 C ATOM 108 C SER A 8 18.422 -3.779 4.084 1.00 10.00 C ATOM 109 O SER A 8 19.575 -4.132 4.326 1.00 10.00 O ATOM 110 CB SER A 8 16.951 -3.749 6.119 1.00 10.00 C ATOM 111 OG SER A 8 15.937 -4.569 5.544 1.00 10.00 O ATOM 0 H SER A 8 15.739 -2.351 4.426 1.00 10.00 H new ATOM 0 HA SER A 8 18.366 -2.242 5.586 1.00 10.00 H new ATOM 0 HB2 SER A 8 17.682 -4.379 6.626 1.00 10.00 H new ATOM 0 HB3 SER A 8 16.508 -3.102 6.877 1.00 10.00 H new ATOM 0 HG SER A 8 15.510 -5.102 6.247 1.00 10.00 H new ATOM 117 N LYS A 9 17.747 -4.116 2.995 1.00 10.00 N ATOM 118 CA LYS A 9 18.313 -5.028 2.016 1.00 10.00 C ATOM 119 C LYS A 9 19.025 -4.223 0.926 1.00 10.00 C ATOM 120 O LYS A 9 19.896 -4.745 0.232 1.00 10.00 O ATOM 121 CB LYS A 9 17.236 -5.972 1.478 1.00 10.00 C ATOM 122 CG LYS A 9 16.095 -5.188 0.826 1.00 10.00 C ATOM 123 CD LYS A 9 14.853 -5.185 1.718 1.00 10.00 C ATOM 124 CE LYS A 9 13.996 -6.428 1.469 1.00 10.00 C ATOM 125 NZ LYS A 9 13.532 -6.466 0.064 1.00 10.00 N ATOM 0 H LYS A 9 16.813 -3.774 2.769 1.00 10.00 H new ATOM 0 HA LYS A 9 19.063 -5.668 2.481 1.00 10.00 H new ATOM 0 HB2 LYS A 9 17.676 -6.654 0.750 1.00 10.00 H new ATOM 0 HB3 LYS A 9 16.844 -6.583 2.291 1.00 10.00 H new ATOM 0 HG2 LYS A 9 16.414 -4.163 0.638 1.00 10.00 H new ATOM 0 HG3 LYS A 9 15.852 -5.629 -0.141 1.00 10.00 H new ATOM 0 HD2 LYS A 9 15.153 -5.150 2.765 1.00 10.00 H new ATOM 0 HD3 LYS A 9 14.264 -4.288 1.525 1.00 10.00 H new ATOM 0 HE2 LYS A 9 14.573 -7.325 1.692 1.00 10.00 H new ATOM 0 HE3 LYS A 9 13.138 -6.426 2.141 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 12.716 -7.106 -0.015 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 13.252 -5.510 -0.235 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 14.301 -6.808 -0.546 1.00 10.00 H new ATOM 138 N GLY A 10 18.627 -2.964 0.811 1.00 10.00 N ATOM 139 CA GLY A 10 19.250 -2.068 -0.149 1.00 10.00 C ATOM 140 C GLY A 10 18.751 -2.351 -1.567 1.00 10.00 C ATOM 141 O GLY A 10 17.938 -1.601 -2.105 1.00 10.00 O ATOM 0 H GLY A 10 17.882 -2.544 1.366 1.00 10.00 H new ATOM 0 HA2 GLY A 10 19.031 -1.034 0.118 1.00 10.00 H new ATOM 0 HA3 GLY A 10 20.333 -2.184 -0.111 1.00 10.00 H new ATOM 145 N CYS A 11 19.259 -3.436 -2.133 1.00 10.00 N ATOM 146 CA CYS A 11 19.018 -3.732 -3.535 1.00 10.00 C ATOM 147 C CYS A 11 18.142 -4.983 -3.619 1.00 10.00 C ATOM 148 O CYS A 11 18.525 -5.973 -4.240 1.00 10.00 O ATOM 149 CB CYS A 11 20.326 -3.898 -4.311 1.00 10.00 C ATOM 150 SG CYS A 11 21.089 -2.333 -4.875 1.00 10.00 S ATOM 0 H CYS A 11 19.837 -4.121 -1.646 1.00 10.00 H new ATOM 0 HA CYS A 11 18.499 -2.895 -4.002 1.00 10.00 H new ATOM 0 HB2 CYS A 11 21.041 -4.428 -3.681 1.00 10.00 H new ATOM 0 HB3 CYS A 11 20.139 -4.528 -5.180 1.00 10.00 H new ATOM 0 HG CYS A 11 22.189 -2.593 -5.517 1.00 10.00 H new ATOM 155 N LYS A 12 16.981 -4.897 -2.985 1.00 10.00 N ATOM 156 CA LYS A 12 16.000 -5.965 -3.074 1.00 10.00 C ATOM 157 C LYS A 12 16.614 -7.262 -2.542 1.00 10.00 C ATOM 158 O LYS A 12 17.736 -7.260 -2.038 1.00 10.00 O ATOM 159 CB LYS A 12 15.461 -6.081 -4.501 1.00 10.00 C ATOM 160 CG LYS A 12 14.364 -5.045 -4.758 1.00 10.00 C ATOM 161 CD LYS A 12 14.915 -3.843 -5.529 1.00 10.00 C ATOM 162 CE LYS A 12 13.783 -2.933 -6.007 1.00 10.00 C ATOM 163 NZ LYS A 12 14.331 -1.718 -6.650 1.00 10.00 N ATOM 0 H LYS A 12 16.698 -4.105 -2.408 1.00 10.00 H new ATOM 0 HA LYS A 12 15.136 -5.740 -2.449 1.00 10.00 H new ATOM 0 HB2 LYS A 12 16.274 -5.940 -5.213 1.00 10.00 H new ATOM 0 HB3 LYS A 12 15.065 -7.083 -4.664 1.00 10.00 H new ATOM 0 HG2 LYS A 12 13.552 -5.503 -5.323 1.00 10.00 H new ATOM 0 HG3 LYS A 12 13.944 -4.712 -3.809 1.00 10.00 H new ATOM 0 HD2 LYS A 12 15.596 -3.279 -4.892 1.00 10.00 H new ATOM 0 HD3 LYS A 12 15.494 -4.190 -6.385 1.00 10.00 H new ATOM 0 HE2 LYS A 12 13.150 -3.471 -6.712 1.00 10.00 H new ATOM 0 HE3 LYS A 12 13.153 -2.652 -5.163 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 13.614 -1.306 -7.281 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 14.588 -1.024 -5.919 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 15.176 -1.969 -7.202 1.00 10.00 H new ATOM 176 N LEU A 13 15.852 -8.337 -2.672 1.00 10.00 N ATOM 177 CA LEU A 13 16.422 -9.672 -2.600 1.00 10.00 C ATOM 178 C LEU A 13 15.725 -10.575 -3.620 1.00 10.00 C ATOM 179 O LEU A 13 14.552 -10.376 -3.931 1.00 10.00 O ATOM 180 CB LEU A 13 16.363 -10.203 -1.167 1.00 10.00 C ATOM 181 CG LEU A 13 15.178 -9.728 -0.323 1.00 10.00 C ATOM 182 CD1 LEU A 13 13.866 -10.325 -0.835 1.00 10.00 C ATOM 183 CD2 LEU A 13 15.405 -10.029 1.159 1.00 10.00 C ATOM 0 H LEU A 13 14.844 -8.311 -2.827 1.00 10.00 H new ATOM 0 HA LEU A 13 17.479 -9.650 -2.864 1.00 10.00 H new ATOM 0 HB2 LEU A 13 16.343 -11.292 -1.205 1.00 10.00 H new ATOM 0 HB3 LEU A 13 17.284 -9.919 -0.657 1.00 10.00 H new ATOM 0 HG LEU A 13 15.100 -8.645 -0.423 1.00 10.00 H new ATOM 0 HD11 LEU A 13 13.040 -9.971 -0.218 1.00 10.00 H new ATOM 0 HD12 LEU A 13 13.705 -10.017 -1.868 1.00 10.00 H new ATOM 0 HD13 LEU A 13 13.917 -11.413 -0.785 1.00 10.00 H new ATOM 0 HD21 LEU A 13 14.548 -9.681 1.736 1.00 10.00 H new ATOM 0 HD22 LEU A 13 15.524 -11.104 1.298 1.00 10.00 H new ATOM 0 HD23 LEU A 13 16.305 -9.517 1.501 1.00 10.00 H new ATOM 195 N SER A 14 16.477 -11.548 -4.112 1.00 10.00 N ATOM 196 CA SER A 14 16.005 -12.377 -5.208 1.00 10.00 C ATOM 197 C SER A 14 15.220 -13.571 -4.661 1.00 10.00 C ATOM 198 O SER A 14 15.809 -14.536 -4.176 1.00 10.00 O ATOM 199 CB SER A 14 17.170 -12.861 -6.075 1.00 10.00 C ATOM 200 OG SER A 14 18.120 -13.611 -5.322 1.00 10.00 O ATOM 0 H SER A 14 17.410 -11.781 -3.772 1.00 10.00 H new ATOM 0 HA SER A 14 15.348 -11.773 -5.834 1.00 10.00 H new ATOM 0 HB2 SER A 14 16.785 -13.476 -6.889 1.00 10.00 H new ATOM 0 HB3 SER A 14 17.664 -12.003 -6.530 1.00 10.00 H new ATOM 0 HG SER A 14 17.650 -14.178 -4.676 1.00 10.00 H new ATOM 206 N CYS A 15 13.903 -13.466 -4.756 1.00 10.00 N ATOM 207 CA CYS A 15 13.032 -14.541 -4.311 1.00 10.00 C ATOM 208 C CYS A 15 13.283 -15.761 -5.199 1.00 10.00 C ATOM 209 O CYS A 15 13.478 -15.626 -6.406 1.00 10.00 O ATOM 210 CB CYS A 15 11.561 -14.119 -4.323 1.00 10.00 C ATOM 211 SG CYS A 15 10.915 -13.634 -5.965 1.00 10.00 S ATOM 0 H CYS A 15 13.417 -12.653 -5.135 1.00 10.00 H new ATOM 0 HA CYS A 15 13.261 -14.793 -3.276 1.00 10.00 H new ATOM 0 HB2 CYS A 15 10.958 -14.942 -3.940 1.00 10.00 H new ATOM 0 HB3 CYS A 15 11.432 -13.283 -3.636 1.00 10.00 H new ATOM 216 N VAL A 16 13.270 -16.925 -4.567 1.00 10.00 N ATOM 217 CA VAL A 16 13.495 -18.169 -5.284 1.00 10.00 C ATOM 218 C VAL A 16 12.148 -18.816 -5.610 1.00 10.00 C ATOM 219 O VAL A 16 12.062 -19.668 -6.493 1.00 10.00 O ATOM 220 CB VAL A 16 14.416 -19.082 -4.471 1.00 10.00 C ATOM 221 CG1 VAL A 16 14.720 -20.373 -5.234 1.00 10.00 C ATOM 222 CG2 VAL A 16 15.706 -18.356 -4.085 1.00 10.00 C ATOM 0 H VAL A 16 13.107 -17.033 -3.566 1.00 10.00 H new ATOM 0 HA VAL A 16 14.001 -17.978 -6.230 1.00 10.00 H new ATOM 0 HB VAL A 16 13.896 -19.351 -3.552 1.00 10.00 H new ATOM 0 HG11 VAL A 16 15.376 -21.004 -4.635 1.00 10.00 H new ATOM 0 HG12 VAL A 16 13.790 -20.904 -5.435 1.00 10.00 H new ATOM 0 HG13 VAL A 16 15.211 -20.131 -6.177 1.00 10.00 H new ATOM 0 HG21 VAL A 16 16.342 -19.027 -3.508 1.00 10.00 H new ATOM 0 HG22 VAL A 16 16.232 -18.044 -4.987 1.00 10.00 H new ATOM 0 HG23 VAL A 16 15.464 -17.479 -3.484 1.00 10.00 H new ATOM 232 N ALA A 17 11.129 -18.387 -4.879 1.00 10.00 N ATOM 233 CA ALA A 17 9.861 -19.097 -4.873 1.00 10.00 C ATOM 234 C ALA A 17 8.813 -18.253 -4.145 1.00 10.00 C ATOM 235 O ALA A 17 9.156 -17.320 -3.421 1.00 10.00 O ATOM 236 CB ALA A 17 10.050 -20.473 -4.232 1.00 10.00 C ATOM 0 H ALA A 17 11.156 -17.557 -4.287 1.00 10.00 H new ATOM 0 HA ALA A 17 9.506 -19.258 -5.891 1.00 10.00 H new ATOM 0 HB1 ALA A 17 9.099 -21.006 -4.227 1.00 10.00 H new ATOM 0 HB2 ALA A 17 10.783 -21.043 -4.803 1.00 10.00 H new ATOM 0 HB3 ALA A 17 10.403 -20.352 -3.208 1.00 10.00 H new ATOM 242 N ASN A 18 7.556 -18.612 -4.362 1.00 10.00 N ATOM 243 CA ASN A 18 6.452 -17.835 -3.824 1.00 10.00 C ATOM 244 C ASN A 18 6.544 -17.816 -2.297 1.00 10.00 C ATOM 245 O ASN A 18 6.415 -16.762 -1.677 1.00 10.00 O ATOM 246 CB ASN A 18 5.106 -18.451 -4.209 1.00 10.00 C ATOM 247 CG ASN A 18 4.903 -18.422 -5.726 1.00 10.00 C ATOM 248 OD1 ASN A 18 5.673 -17.837 -6.470 1.00 10.00 O ATOM 249 ND2 ASN A 18 3.827 -19.084 -6.140 1.00 10.00 N ATOM 0 H ASN A 18 7.278 -19.431 -4.903 1.00 10.00 H new ATOM 0 HA ASN A 18 6.518 -16.827 -4.234 1.00 10.00 H new ATOM 0 HB2 ASN A 18 5.057 -19.480 -3.852 1.00 10.00 H new ATOM 0 HB3 ASN A 18 4.299 -17.905 -3.720 1.00 10.00 H new ATOM 0 HD21 ASN A 18 3.604 -19.124 -7.135 1.00 10.00 H new ATOM 0 HD22 ASN A 18 3.224 -19.552 -5.463 1.00 10.00 H new ATOM 256 N ASN A 19 6.767 -18.995 -1.735 1.00 10.00 N ATOM 257 CA ASN A 19 6.820 -19.138 -0.290 1.00 10.00 C ATOM 258 C ASN A 19 8.022 -18.361 0.251 1.00 10.00 C ATOM 259 O ASN A 19 7.955 -17.781 1.333 1.00 10.00 O ATOM 260 CB ASN A 19 6.984 -20.604 0.113 1.00 10.00 C ATOM 261 CG ASN A 19 8.198 -21.230 -0.576 1.00 10.00 C ATOM 262 OD1 ASN A 19 8.234 -21.412 -1.782 1.00 10.00 O ATOM 263 ND2 ASN A 19 9.187 -21.549 0.253 1.00 10.00 N ATOM 0 H ASN A 19 6.913 -19.860 -2.255 1.00 10.00 H new ATOM 0 HA ASN A 19 5.887 -18.754 0.121 1.00 10.00 H new ATOM 0 HB2 ASN A 19 7.098 -20.677 1.195 1.00 10.00 H new ATOM 0 HB3 ASN A 19 6.085 -21.160 -0.151 1.00 10.00 H new ATOM 0 HD21 ASN A 19 10.040 -21.973 -0.111 1.00 10.00 H new ATOM 0 HD22 ASN A 19 9.092 -21.370 1.253 1.00 10.00 H new ATOM 270 N TYR A 20 9.094 -18.375 -0.528 1.00 10.00 N ATOM 271 CA TYR A 20 10.343 -17.774 -0.092 1.00 10.00 C ATOM 272 C TYR A 20 10.197 -16.260 0.070 1.00 10.00 C ATOM 273 O TYR A 20 10.800 -15.667 0.963 1.00 10.00 O ATOM 274 CB TYR A 20 11.358 -18.061 -1.201 1.00 10.00 C ATOM 275 CG TYR A 20 12.804 -17.735 -0.821 1.00 10.00 C ATOM 276 CD1 TYR A 20 13.257 -16.433 -0.885 1.00 10.00 C ATOM 277 CD2 TYR A 20 13.654 -18.742 -0.414 1.00 10.00 C ATOM 278 CE1 TYR A 20 14.618 -16.126 -0.528 1.00 10.00 C ATOM 279 CE2 TYR A 20 15.015 -18.436 -0.056 1.00 10.00 C ATOM 280 CZ TYR A 20 15.430 -17.143 -0.131 1.00 10.00 C ATOM 281 OH TYR A 20 16.715 -16.853 0.207 1.00 10.00 O ATOM 0 H TYR A 20 9.123 -18.793 -1.458 1.00 10.00 H new ATOM 0 HA TYR A 20 10.649 -18.182 0.871 1.00 10.00 H new ATOM 0 HB2 TYR A 20 11.294 -19.114 -1.475 1.00 10.00 H new ATOM 0 HB3 TYR A 20 11.087 -17.485 -2.086 1.00 10.00 H new ATOM 0 HD1 TYR A 20 12.591 -15.644 -1.203 1.00 10.00 H new ATOM 0 HD2 TYR A 20 13.299 -19.761 -0.364 1.00 10.00 H new ATOM 0 HE1 TYR A 20 14.986 -15.112 -0.574 1.00 10.00 H new ATOM 0 HE2 TYR A 20 15.690 -19.215 0.265 1.00 10.00 H new ATOM 0 HH TYR A 20 17.177 -17.676 0.472 1.00 10.00 H new ATOM 291 N CYS A 21 9.392 -15.678 -0.807 1.00 10.00 N ATOM 292 CA CYS A 21 9.044 -14.273 -0.685 1.00 10.00 C ATOM 293 C CYS A 21 8.071 -14.118 0.486 1.00 10.00 C ATOM 294 O CYS A 21 8.326 -13.349 1.411 1.00 10.00 O ATOM 295 CB CYS A 21 8.462 -13.719 -1.987 1.00 10.00 C ATOM 296 SG CYS A 21 7.788 -12.022 -1.867 1.00 10.00 S ATOM 0 H CYS A 21 8.971 -16.154 -1.605 1.00 10.00 H new ATOM 0 HA CYS A 21 9.943 -13.689 -0.488 1.00 10.00 H new ATOM 0 HB2 CYS A 21 9.240 -13.733 -2.751 1.00 10.00 H new ATOM 0 HB3 CYS A 21 7.670 -14.386 -2.327 1.00 10.00 H new ATOM 301 N ASP A 22 6.978 -14.862 0.407 1.00 10.00 N ATOM 302 CA ASP A 22 5.805 -14.555 1.208 1.00 10.00 C ATOM 303 C ASP A 22 6.172 -14.629 2.691 1.00 10.00 C ATOM 304 O ASP A 22 5.833 -13.734 3.464 1.00 10.00 O ATOM 305 CB ASP A 22 4.682 -15.560 0.948 1.00 10.00 C ATOM 306 CG ASP A 22 3.319 -15.171 1.523 1.00 10.00 C ATOM 307 OD1 ASP A 22 3.007 -13.981 1.677 1.00 10.00 O ATOM 308 OD2 ASP A 22 2.550 -16.162 1.823 1.00 10.00 O ATOM 0 H ASP A 22 6.880 -15.676 -0.199 1.00 10.00 H new ATOM 0 HA ASP A 22 5.464 -13.556 0.937 1.00 10.00 H new ATOM 0 HB2 ASP A 22 4.580 -15.697 -0.129 1.00 10.00 H new ATOM 0 HB3 ASP A 22 4.974 -16.524 1.365 1.00 10.00 H new ATOM 314 N ASN A 23 6.860 -15.704 3.044 1.00 10.00 N ATOM 315 CA ASN A 23 7.198 -15.953 4.436 1.00 10.00 C ATOM 316 C ASN A 23 8.114 -14.836 4.940 1.00 10.00 C ATOM 317 O ASN A 23 8.090 -14.494 6.122 1.00 10.00 O ATOM 318 CB ASN A 23 7.940 -17.281 4.593 1.00 10.00 C ATOM 319 CG ASN A 23 9.451 -17.085 4.455 1.00 10.00 C ATOM 320 OD1 ASN A 23 10.189 -17.040 5.426 1.00 10.00 O ATOM 321 ND2 ASN A 23 9.870 -16.971 3.198 1.00 10.00 N ATOM 0 H ASN A 23 7.193 -16.413 2.391 1.00 10.00 H new ATOM 0 HA ASN A 23 6.271 -15.989 5.008 1.00 10.00 H new ATOM 0 HB2 ASN A 23 7.714 -17.715 5.567 1.00 10.00 H new ATOM 0 HB3 ASN A 23 7.591 -17.988 3.840 1.00 10.00 H new ATOM 0 HD21 ASN A 23 10.862 -16.837 3.001 1.00 10.00 H new ATOM 0 HD22 ASN A 23 9.200 -17.018 2.431 1.00 10.00 H new ATOM 328 N GLN A 24 8.902 -14.299 4.020 1.00 10.00 N ATOM 329 CA GLN A 24 9.885 -13.290 4.373 1.00 10.00 C ATOM 330 C GLN A 24 9.217 -11.920 4.504 1.00 10.00 C ATOM 331 O GLN A 24 9.602 -11.115 5.351 1.00 10.00 O ATOM 332 CB GLN A 24 11.022 -13.249 3.350 1.00 10.00 C ATOM 333 CG GLN A 24 12.174 -12.373 3.844 1.00 10.00 C ATOM 334 CD GLN A 24 13.404 -12.528 2.947 1.00 10.00 C ATOM 335 OE1 GLN A 24 13.310 -12.659 1.738 1.00 10.00 O ATOM 336 NE2 GLN A 24 14.560 -12.504 3.605 1.00 10.00 N ATOM 0 H GLN A 24 8.879 -14.544 3.030 1.00 10.00 H new ATOM 0 HA GLN A 24 10.318 -13.556 5.338 1.00 10.00 H new ATOM 0 HB2 GLN A 24 11.384 -14.260 3.163 1.00 10.00 H new ATOM 0 HB3 GLN A 24 10.648 -12.863 2.401 1.00 10.00 H new ATOM 0 HG2 GLN A 24 11.861 -11.329 3.861 1.00 10.00 H new ATOM 0 HG3 GLN A 24 12.430 -12.645 4.868 1.00 10.00 H new ATOM 0 HE21 GLN A 24 14.568 -12.391 4.619 1.00 10.00 H new ATOM 0 HE22 GLN A 24 15.439 -12.598 3.096 1.00 10.00 H new ATOM 345 N CYS A 25 8.226 -11.697 3.653 1.00 10.00 N ATOM 346 CA CYS A 25 7.498 -10.439 3.665 1.00 10.00 C ATOM 347 C CYS A 25 6.663 -10.379 4.946 1.00 10.00 C ATOM 348 O CYS A 25 6.697 -9.383 5.667 1.00 10.00 O ATOM 349 CB CYS A 25 6.635 -10.273 2.413 1.00 10.00 C ATOM 350 SG CYS A 25 7.572 -10.158 0.845 1.00 10.00 S ATOM 0 H CYS A 25 7.910 -12.366 2.951 1.00 10.00 H new ATOM 0 HA CYS A 25 8.203 -9.608 3.653 1.00 10.00 H new ATOM 0 HB2 CYS A 25 5.948 -11.116 2.348 1.00 10.00 H new ATOM 0 HB3 CYS A 25 6.028 -9.375 2.524 1.00 10.00 H new ATOM 355 N LYS A 26 5.934 -11.458 5.190 1.00 10.00 N ATOM 356 CA LYS A 26 4.935 -11.463 6.245 1.00 10.00 C ATOM 357 C LYS A 26 5.635 -11.469 7.605 1.00 10.00 C ATOM 358 O LYS A 26 5.020 -11.164 8.625 1.00 10.00 O ATOM 359 CB LYS A 26 3.958 -12.624 6.051 1.00 10.00 C ATOM 360 CG LYS A 26 4.558 -13.937 6.559 1.00 10.00 C ATOM 361 CD LYS A 26 3.542 -15.077 6.466 1.00 10.00 C ATOM 362 CE LYS A 26 3.188 -15.378 5.009 1.00 10.00 C ATOM 363 NZ LYS A 26 2.557 -16.712 4.894 1.00 10.00 N ATOM 0 H LYS A 26 6.015 -12.335 4.675 1.00 10.00 H new ATOM 0 HA LYS A 26 4.331 -10.557 6.202 1.00 10.00 H new ATOM 0 HB2 LYS A 26 3.029 -12.415 6.582 1.00 10.00 H new ATOM 0 HB3 LYS A 26 3.707 -12.720 4.995 1.00 10.00 H new ATOM 0 HG2 LYS A 26 5.444 -14.186 5.975 1.00 10.00 H new ATOM 0 HG3 LYS A 26 4.882 -13.817 7.593 1.00 10.00 H new ATOM 0 HD2 LYS A 26 3.950 -15.971 6.937 1.00 10.00 H new ATOM 0 HD3 LYS A 26 2.639 -14.810 7.016 1.00 10.00 H new ATOM 0 HE2 LYS A 26 2.510 -14.614 4.628 1.00 10.00 H new ATOM 0 HE3 LYS A 26 4.088 -15.341 4.395 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 2.385 -16.929 3.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 3.189 -17.431 5.301 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 1.653 -16.714 5.409 1.00 10.00 H new ATOM 376 N MET A 27 6.913 -11.820 7.576 1.00 10.00 N ATOM 377 CA MET A 27 7.708 -11.854 8.792 1.00 10.00 C ATOM 378 C MET A 27 7.564 -10.549 9.577 1.00 10.00 C ATOM 379 O MET A 27 7.457 -10.566 10.802 1.00 10.00 O ATOM 380 CB MET A 27 9.179 -12.076 8.434 1.00 10.00 C ATOM 381 CG MET A 27 9.991 -12.465 9.671 1.00 10.00 C ATOM 382 SD MET A 27 11.707 -12.036 9.434 1.00 10.00 S ATOM 383 CE MET A 27 12.091 -13.058 8.022 1.00 10.00 C ATOM 0 H MET A 27 7.417 -12.083 6.729 1.00 10.00 H new ATOM 0 HA MET A 27 7.350 -12.673 9.416 1.00 10.00 H new ATOM 0 HB2 MET A 27 9.259 -12.859 7.680 1.00 10.00 H new ATOM 0 HB3 MET A 27 9.591 -11.168 7.995 1.00 10.00 H new ATOM 0 HG2 MET A 27 9.598 -11.954 10.550 1.00 10.00 H new ATOM 0 HG3 MET A 27 9.897 -13.535 9.856 1.00 10.00 H new ATOM 0 HE1 MET A 27 13.171 -13.092 7.881 1.00 10.00 H new ATOM 0 HE2 MET A 27 11.715 -14.067 8.190 1.00 10.00 H new ATOM 0 HE3 MET A 27 11.622 -12.639 7.132 1.00 10.00 H new ATOM 393 N LYS A 28 7.568 -9.448 8.840 1.00 10.00 N ATOM 394 CA LYS A 28 7.765 -8.142 9.445 1.00 10.00 C ATOM 395 C LYS A 28 7.358 -7.056 8.448 1.00 10.00 C ATOM 396 O LYS A 28 6.557 -6.180 8.771 1.00 10.00 O ATOM 397 CB LYS A 28 9.200 -8.000 9.957 1.00 10.00 C ATOM 398 CG LYS A 28 9.397 -6.662 10.672 1.00 10.00 C ATOM 399 CD LYS A 28 10.105 -5.654 9.764 1.00 10.00 C ATOM 400 CE LYS A 28 11.617 -5.889 9.758 1.00 10.00 C ATOM 401 NZ LYS A 28 12.279 -4.976 8.800 1.00 10.00 N ATOM 0 H LYS A 28 7.438 -9.434 7.828 1.00 10.00 H new ATOM 0 HA LYS A 28 7.126 -8.027 10.320 1.00 10.00 H new ATOM 0 HB2 LYS A 28 9.429 -8.818 10.640 1.00 10.00 H new ATOM 0 HB3 LYS A 28 9.897 -8.077 9.122 1.00 10.00 H new ATOM 0 HG2 LYS A 28 8.430 -6.264 10.979 1.00 10.00 H new ATOM 0 HG3 LYS A 28 9.982 -6.813 11.579 1.00 10.00 H new ATOM 0 HD2 LYS A 28 9.716 -5.738 8.749 1.00 10.00 H new ATOM 0 HD3 LYS A 28 9.892 -4.641 10.104 1.00 10.00 H new ATOM 0 HE2 LYS A 28 12.020 -5.730 10.758 1.00 10.00 H new ATOM 0 HE3 LYS A 28 11.829 -6.924 9.489 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 13.305 -5.148 8.808 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 11.907 -5.147 7.844 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 12.092 -3.990 9.074 1.00 10.00 H new ATOM 414 N LYS A 29 7.929 -7.147 7.256 1.00 10.00 N ATOM 415 CA LYS A 29 7.833 -6.062 6.294 1.00 10.00 C ATOM 416 C LYS A 29 6.359 -5.767 6.011 1.00 10.00 C ATOM 417 O LYS A 29 5.952 -4.607 5.963 1.00 10.00 O ATOM 418 CB LYS A 29 8.648 -6.384 5.040 1.00 10.00 C ATOM 419 CG LYS A 29 10.146 -6.405 5.350 1.00 10.00 C ATOM 420 CD LYS A 29 10.845 -5.176 4.765 1.00 10.00 C ATOM 421 CE LYS A 29 10.429 -3.904 5.507 1.00 10.00 C ATOM 422 NZ LYS A 29 11.240 -2.751 5.054 1.00 10.00 N ATOM 0 H LYS A 29 8.460 -7.956 6.934 1.00 10.00 H new ATOM 0 HA LYS A 29 8.268 -5.150 6.703 1.00 10.00 H new ATOM 0 HB2 LYS A 29 8.342 -7.351 4.641 1.00 10.00 H new ATOM 0 HB3 LYS A 29 8.443 -5.642 4.268 1.00 10.00 H new ATOM 0 HG2 LYS A 29 10.297 -6.434 6.429 1.00 10.00 H new ATOM 0 HG3 LYS A 29 10.593 -7.311 4.941 1.00 10.00 H new ATOM 0 HD2 LYS A 29 11.926 -5.302 4.830 1.00 10.00 H new ATOM 0 HD3 LYS A 29 10.598 -5.082 3.707 1.00 10.00 H new ATOM 0 HE2 LYS A 29 9.372 -3.703 5.333 1.00 10.00 H new ATOM 0 HE3 LYS A 29 10.554 -4.045 6.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 11.080 -1.943 5.689 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 12.248 -3.008 5.068 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 10.963 -2.490 4.086 1.00 10.00 H new ATOM 435 N ALA A 30 5.598 -6.837 5.830 1.00 10.00 N ATOM 436 CA ALA A 30 4.312 -6.736 5.162 1.00 10.00 C ATOM 437 C ALA A 30 3.322 -7.697 5.823 1.00 10.00 C ATOM 438 O ALA A 30 3.667 -8.388 6.780 1.00 10.00 O ATOM 439 CB ALA A 30 4.489 -7.019 3.668 1.00 10.00 C ATOM 0 H ALA A 30 5.848 -7.778 6.134 1.00 10.00 H new ATOM 0 HA ALA A 30 3.908 -5.728 5.258 1.00 10.00 H new ATOM 0 HB1 ALA A 30 3.524 -6.943 3.167 1.00 10.00 H new ATOM 0 HB2 ALA A 30 5.179 -6.292 3.239 1.00 10.00 H new ATOM 0 HB3 ALA A 30 4.890 -8.023 3.533 1.00 10.00 H new ATOM 445 N SER A 31 2.110 -7.709 5.287 1.00 10.00 N ATOM 446 CA SER A 31 1.133 -8.715 5.668 1.00 10.00 C ATOM 447 C SER A 31 1.345 -9.988 4.846 1.00 10.00 C ATOM 448 O SER A 31 1.145 -11.094 5.345 1.00 10.00 O ATOM 449 CB SER A 31 -0.294 -8.195 5.483 1.00 10.00 C ATOM 450 OG SER A 31 -0.541 -7.025 6.259 1.00 10.00 O ATOM 0 H SER A 31 1.783 -7.038 4.592 1.00 10.00 H new ATOM 0 HA SER A 31 1.273 -8.945 6.724 1.00 10.00 H new ATOM 0 HB2 SER A 31 -0.466 -7.974 4.429 1.00 10.00 H new ATOM 0 HB3 SER A 31 -1.003 -8.973 5.765 1.00 10.00 H new ATOM 0 HG SER A 31 -1.462 -6.723 6.112 1.00 10.00 H new ATOM 456 N GLY A 32 1.748 -9.789 3.600 1.00 10.00 N ATOM 457 CA GLY A 32 2.013 -10.907 2.711 1.00 10.00 C ATOM 458 C GLY A 32 3.009 -10.515 1.618 1.00 10.00 C ATOM 459 O GLY A 32 3.607 -9.441 1.674 1.00 10.00 O ATOM 0 H GLY A 32 1.898 -8.869 3.185 1.00 10.00 H new ATOM 0 HA2 GLY A 32 2.408 -11.746 3.284 1.00 10.00 H new ATOM 0 HA3 GLY A 32 1.081 -11.243 2.255 1.00 10.00 H new ATOM 463 N GLY A 33 3.156 -11.406 0.648 1.00 10.00 N ATOM 464 CA GLY A 33 3.970 -11.114 -0.519 1.00 10.00 C ATOM 465 C GLY A 33 3.883 -12.245 -1.545 1.00 10.00 C ATOM 466 O GLY A 33 3.373 -13.323 -1.244 1.00 10.00 O ATOM 0 H GLY A 33 2.725 -12.330 0.647 1.00 10.00 H new ATOM 0 HA2 GLY A 33 3.639 -10.180 -0.973 1.00 10.00 H new ATOM 0 HA3 GLY A 33 5.007 -10.971 -0.217 1.00 10.00 H new ATOM 470 N HIS A 34 4.389 -11.961 -2.737 1.00 10.00 N ATOM 471 CA HIS A 34 4.518 -12.986 -3.759 1.00 10.00 C ATOM 472 C HIS A 34 5.812 -12.766 -4.545 1.00 10.00 C ATOM 473 O HIS A 34 6.344 -11.658 -4.574 1.00 10.00 O ATOM 474 CB HIS A 34 3.278 -13.019 -4.654 1.00 10.00 C ATOM 475 CG HIS A 34 3.185 -14.247 -5.529 1.00 10.00 C ATOM 476 ND1 HIS A 34 3.882 -14.376 -6.717 1.00 10.00 N ATOM 477 CD2 HIS A 34 2.470 -15.398 -5.374 1.00 10.00 C ATOM 478 CE1 HIS A 34 3.592 -15.555 -7.246 1.00 10.00 C ATOM 479 NE2 HIS A 34 2.716 -16.187 -6.413 1.00 10.00 N ATOM 0 H HIS A 34 4.714 -11.036 -3.017 1.00 10.00 H new ATOM 0 HA HIS A 34 4.582 -13.968 -3.290 1.00 10.00 H new ATOM 0 HB2 HIS A 34 2.388 -12.964 -4.027 1.00 10.00 H new ATOM 0 HB3 HIS A 34 3.276 -12.132 -5.288 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.512 -13.681 -7.117 1.00 10.00 H new ATOM 0 HD2 HIS A 34 1.815 -15.628 -4.547 1.00 10.00 H new ATOM 0 HE1 HIS A 34 3.981 -15.947 -8.174 1.00 10.00 H new ATOM 487 N CYS A 35 6.280 -13.840 -5.164 1.00 10.00 N ATOM 488 CA CYS A 35 7.568 -13.815 -5.836 1.00 10.00 C ATOM 489 C CYS A 35 7.349 -13.345 -7.276 1.00 10.00 C ATOM 490 O CYS A 35 6.851 -14.099 -8.110 1.00 10.00 O ATOM 491 CB CYS A 35 8.263 -15.177 -5.780 1.00 10.00 C ATOM 492 SG CYS A 35 9.888 -15.245 -6.618 1.00 10.00 S ATOM 0 H CYS A 35 5.790 -14.733 -5.214 1.00 10.00 H new ATOM 0 HA CYS A 35 8.234 -13.120 -5.325 1.00 10.00 H new ATOM 0 HB2 CYS A 35 8.397 -15.458 -4.735 1.00 10.00 H new ATOM 0 HB3 CYS A 35 7.607 -15.923 -6.229 1.00 10.00 H new ATOM 497 N TYR A 36 7.732 -12.101 -7.523 1.00 10.00 N ATOM 498 CA TYR A 36 7.863 -11.615 -8.886 1.00 10.00 C ATOM 499 C TYR A 36 9.280 -11.840 -9.415 1.00 10.00 C ATOM 500 O TYR A 36 10.226 -11.958 -8.638 1.00 10.00 O ATOM 501 CB TYR A 36 7.587 -10.111 -8.826 1.00 10.00 C ATOM 502 CG TYR A 36 7.485 -9.442 -10.198 1.00 10.00 C ATOM 503 CD1 TYR A 36 6.427 -9.739 -11.034 1.00 10.00 C ATOM 504 CD2 TYR A 36 8.450 -8.541 -10.600 1.00 10.00 C ATOM 505 CE1 TYR A 36 6.331 -9.109 -12.325 1.00 10.00 C ATOM 506 CE2 TYR A 36 8.353 -7.911 -11.891 1.00 10.00 C ATOM 507 CZ TYR A 36 7.299 -8.226 -12.690 1.00 10.00 C ATOM 508 OH TYR A 36 7.208 -7.631 -13.910 1.00 10.00 O ATOM 0 H TYR A 36 7.956 -11.415 -6.802 1.00 10.00 H new ATOM 0 HA TYR A 36 7.175 -12.141 -9.548 1.00 10.00 H new ATOM 0 HB2 TYR A 36 6.657 -9.944 -8.282 1.00 10.00 H new ATOM 0 HB3 TYR A 36 8.381 -9.629 -8.256 1.00 10.00 H new ATOM 0 HD1 TYR A 36 5.672 -10.444 -10.720 1.00 10.00 H new ATOM 0 HD2 TYR A 36 9.278 -8.309 -9.946 1.00 10.00 H new ATOM 0 HE1 TYR A 36 5.509 -9.333 -12.989 1.00 10.00 H new ATOM 0 HE2 TYR A 36 9.101 -7.204 -12.218 1.00 10.00 H new ATOM 0 HH TYR A 36 7.967 -7.024 -14.035 1.00 10.00 H new ATOM 518 N ALA A 37 9.383 -11.894 -10.735 1.00 10.00 N ATOM 519 CA ALA A 37 10.566 -12.448 -11.372 1.00 10.00 C ATOM 520 C ALA A 37 11.807 -11.713 -10.861 1.00 10.00 C ATOM 521 O ALA A 37 12.854 -12.325 -10.656 1.00 10.00 O ATOM 522 CB ALA A 37 10.418 -12.357 -12.892 1.00 10.00 C ATOM 0 H ALA A 37 8.666 -11.563 -11.381 1.00 10.00 H new ATOM 0 HA ALA A 37 10.680 -13.502 -11.119 1.00 10.00 H new ATOM 0 HB1 ALA A 37 11.305 -12.773 -13.369 1.00 10.00 H new ATOM 0 HB2 ALA A 37 9.539 -12.920 -13.206 1.00 10.00 H new ATOM 0 HB3 ALA A 37 10.304 -11.313 -13.185 1.00 10.00 H new ATOM 528 N MET A 38 11.648 -10.412 -10.670 1.00 10.00 N ATOM 529 CA MET A 38 12.780 -9.559 -10.351 1.00 10.00 C ATOM 530 C MET A 38 13.158 -9.678 -8.874 1.00 10.00 C ATOM 531 O MET A 38 14.338 -9.756 -8.535 1.00 10.00 O ATOM 532 CB MET A 38 12.429 -8.104 -10.673 1.00 10.00 C ATOM 533 CG MET A 38 12.169 -7.922 -12.170 1.00 10.00 C ATOM 534 SD MET A 38 13.688 -8.126 -13.083 1.00 10.00 S ATOM 535 CE MET A 38 14.379 -6.490 -12.907 1.00 10.00 C ATOM 0 H MET A 38 10.752 -9.928 -10.730 1.00 10.00 H new ATOM 0 HA MET A 38 13.632 -9.879 -10.951 1.00 10.00 H new ATOM 0 HB2 MET A 38 11.546 -7.805 -10.108 1.00 10.00 H new ATOM 0 HB3 MET A 38 13.244 -7.451 -10.360 1.00 10.00 H new ATOM 0 HG2 MET A 38 11.431 -8.648 -12.510 1.00 10.00 H new ATOM 0 HG3 MET A 38 11.753 -6.932 -12.357 1.00 10.00 H new ATOM 0 HE1 MET A 38 15.283 -6.410 -13.510 1.00 10.00 H new ATOM 0 HE2 MET A 38 13.652 -5.750 -13.243 1.00 10.00 H new ATOM 0 HE3 MET A 38 14.624 -6.309 -11.860 1.00 10.00 H new ATOM 545 N SER A 39 12.134 -9.687 -8.033 1.00 10.00 N ATOM 546 CA SER A 39 12.336 -9.505 -6.605 1.00 10.00 C ATOM 547 C SER A 39 11.068 -9.898 -5.843 1.00 10.00 C ATOM 548 O SER A 39 10.004 -10.055 -6.440 1.00 10.00 O ATOM 549 CB SER A 39 12.722 -8.060 -6.284 1.00 10.00 C ATOM 550 OG SER A 39 13.901 -7.656 -6.975 1.00 10.00 O ATOM 0 H SER A 39 11.162 -9.817 -8.313 1.00 10.00 H new ATOM 0 HA SER A 39 13.156 -10.150 -6.290 1.00 10.00 H new ATOM 0 HB2 SER A 39 11.899 -7.397 -6.552 1.00 10.00 H new ATOM 0 HB3 SER A 39 12.878 -7.956 -5.210 1.00 10.00 H new ATOM 0 HG SER A 39 14.368 -8.447 -7.315 1.00 10.00 H new ATOM 556 N CYS A 40 11.224 -10.045 -4.536 1.00 10.00 N ATOM 557 CA CYS A 40 10.087 -10.313 -3.672 1.00 10.00 C ATOM 558 C CYS A 40 9.151 -9.103 -3.722 1.00 10.00 C ATOM 559 O CYS A 40 9.491 -8.030 -3.227 1.00 10.00 O ATOM 560 CB CYS A 40 10.526 -10.635 -2.242 1.00 10.00 C ATOM 561 SG CYS A 40 9.156 -10.848 -1.048 1.00 10.00 S ATOM 0 H CYS A 40 12.121 -9.984 -4.054 1.00 10.00 H new ATOM 0 HA CYS A 40 9.558 -11.197 -4.027 1.00 10.00 H new ATOM 0 HB2 CYS A 40 11.122 -11.548 -2.257 1.00 10.00 H new ATOM 0 HB3 CYS A 40 11.177 -9.835 -1.888 1.00 10.00 H new ATOM 566 N TYR A 41 7.991 -9.318 -4.326 1.00 10.00 N ATOM 567 CA TYR A 41 6.954 -8.301 -4.336 1.00 10.00 C ATOM 568 C TYR A 41 6.068 -8.407 -3.093 1.00 10.00 C ATOM 569 O TYR A 41 5.149 -9.224 -3.050 1.00 10.00 O ATOM 570 CB TYR A 41 6.104 -8.578 -5.578 1.00 10.00 C ATOM 571 CG TYR A 41 4.957 -7.586 -5.782 1.00 10.00 C ATOM 572 CD1 TYR A 41 5.208 -6.343 -6.328 1.00 10.00 C ATOM 573 CD2 TYR A 41 3.672 -7.933 -5.419 1.00 10.00 C ATOM 574 CE1 TYR A 41 4.129 -5.410 -6.520 1.00 10.00 C ATOM 575 CE2 TYR A 41 2.593 -6.999 -5.611 1.00 10.00 C ATOM 576 CZ TYR A 41 2.874 -5.784 -6.151 1.00 10.00 C ATOM 577 OH TYR A 41 1.855 -4.902 -6.332 1.00 10.00 O ATOM 0 H TYR A 41 7.747 -10.181 -4.812 1.00 10.00 H new ATOM 0 HA TYR A 41 7.395 -7.304 -4.344 1.00 10.00 H new ATOM 0 HB2 TYR A 41 6.748 -8.559 -6.458 1.00 10.00 H new ATOM 0 HB3 TYR A 41 5.692 -9.584 -5.506 1.00 10.00 H new ATOM 0 HD1 TYR A 41 6.214 -6.071 -6.611 1.00 10.00 H new ATOM 0 HD2 TYR A 41 3.475 -8.905 -4.991 1.00 10.00 H new ATOM 0 HE1 TYR A 41 4.311 -4.435 -6.947 1.00 10.00 H new ATOM 0 HE2 TYR A 41 1.582 -7.258 -5.332 1.00 10.00 H new ATOM 0 HH TYR A 41 1.016 -5.304 -6.025 1.00 10.00 H new ATOM 587 N CYS A 42 6.376 -7.571 -2.113 1.00 10.00 N ATOM 588 CA CYS A 42 5.736 -7.674 -0.813 1.00 10.00 C ATOM 589 C CYS A 42 4.441 -6.860 -0.849 1.00 10.00 C ATOM 590 O CYS A 42 4.325 -5.905 -1.615 1.00 10.00 O ATOM 591 CB CYS A 42 6.665 -7.217 0.313 1.00 10.00 C ATOM 592 SG CYS A 42 8.129 -8.283 0.580 1.00 10.00 S ATOM 0 H CYS A 42 7.061 -6.819 -2.193 1.00 10.00 H new ATOM 0 HA CYS A 42 5.503 -8.718 -0.602 1.00 10.00 H new ATOM 0 HB2 CYS A 42 7.005 -6.204 0.096 1.00 10.00 H new ATOM 0 HB3 CYS A 42 6.094 -7.170 1.240 1.00 10.00 H new ATOM 597 N GLU A 43 3.499 -7.268 -0.012 1.00 10.00 N ATOM 598 CA GLU A 43 2.121 -6.834 -0.166 1.00 10.00 C ATOM 599 C GLU A 43 1.522 -6.477 1.196 1.00 10.00 C ATOM 600 O GLU A 43 1.550 -7.285 2.122 1.00 10.00 O ATOM 601 CB GLU A 43 1.284 -7.904 -0.869 1.00 10.00 C ATOM 602 CG GLU A 43 1.658 -8.008 -2.349 1.00 10.00 C ATOM 603 CD GLU A 43 0.885 -9.138 -3.032 1.00 10.00 C ATOM 604 OE1 GLU A 43 1.278 -10.309 -2.929 1.00 10.00 O ATOM 605 OE2 GLU A 43 -0.161 -8.764 -3.688 1.00 10.00 O ATOM 0 H GLU A 43 3.663 -7.895 0.776 1.00 10.00 H new ATOM 0 HA GLU A 43 2.110 -5.942 -0.792 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.437 -8.868 -0.383 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.225 -7.663 -0.774 1.00 10.00 H new ATOM 0 HG2 GLU A 43 1.445 -7.063 -2.849 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.729 -8.185 -2.445 1.00 10.00 H new ATOM 613 N GLY A 44 0.993 -5.264 1.275 1.00 10.00 N ATOM 614 CA GLY A 44 0.370 -4.797 2.501 1.00 10.00 C ATOM 615 C GLY A 44 1.424 -4.363 3.521 1.00 10.00 C ATOM 616 O GLY A 44 1.582 -4.997 4.564 1.00 10.00 O ATOM 0 H GLY A 44 0.983 -4.591 0.509 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -0.293 -3.961 2.280 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -0.246 -5.590 2.925 1.00 10.00 H new ATOM 620 N LEU A 45 2.118 -3.286 3.185 1.00 10.00 N ATOM 621 CA LEU A 45 3.111 -2.724 4.085 1.00 10.00 C ATOM 622 C LEU A 45 2.491 -1.561 4.861 1.00 10.00 C ATOM 623 O LEU A 45 1.474 -1.006 4.447 1.00 10.00 O ATOM 624 CB LEU A 45 4.377 -2.344 3.315 1.00 10.00 C ATOM 625 CG LEU A 45 5.200 -3.509 2.759 1.00 10.00 C ATOM 626 CD1 LEU A 45 4.738 -3.882 1.349 1.00 10.00 C ATOM 627 CD2 LEU A 45 6.697 -3.196 2.808 1.00 10.00 C ATOM 0 H LEU A 45 2.012 -2.787 2.302 1.00 10.00 H new ATOM 0 HA LEU A 45 3.423 -3.467 4.819 1.00 10.00 H new ATOM 0 HB2 LEU A 45 4.093 -1.697 2.485 1.00 10.00 H new ATOM 0 HB3 LEU A 45 5.016 -1.756 3.974 1.00 10.00 H new ATOM 0 HG LEU A 45 5.033 -4.379 3.394 1.00 10.00 H new ATOM 0 HD11 LEU A 45 5.339 -4.712 0.977 1.00 10.00 H new ATOM 0 HD12 LEU A 45 3.689 -4.177 1.376 1.00 10.00 H new ATOM 0 HD13 LEU A 45 4.857 -3.023 0.688 1.00 10.00 H new ATOM 0 HD21 LEU A 45 7.258 -4.040 2.407 1.00 10.00 H new ATOM 0 HD22 LEU A 45 6.903 -2.307 2.211 1.00 10.00 H new ATOM 0 HD23 LEU A 45 6.998 -3.018 3.840 1.00 10.00 H new ATOM 639 N PRO A 46 3.145 -1.218 6.003 1.00 10.00 N ATOM 640 CA PRO A 46 2.995 0.106 6.583 1.00 10.00 C ATOM 641 C PRO A 46 3.776 1.148 5.780 1.00 10.00 C ATOM 642 O PRO A 46 4.765 0.821 5.128 1.00 10.00 O ATOM 643 CB PRO A 46 3.487 -0.033 8.014 1.00 10.00 C ATOM 644 CG PRO A 46 4.325 -1.302 8.045 1.00 10.00 C ATOM 645 CD PRO A 46 4.043 -2.077 6.769 1.00 10.00 C ATOM 0 HA PRO A 46 1.964 0.459 6.564 1.00 10.00 H new ATOM 0 HB2 PRO A 46 4.079 0.833 8.309 1.00 10.00 H new ATOM 0 HB3 PRO A 46 2.651 -0.100 8.710 1.00 10.00 H new ATOM 0 HG2 PRO A 46 5.385 -1.058 8.117 1.00 10.00 H new ATOM 0 HG3 PRO A 46 4.076 -1.903 8.920 1.00 10.00 H new ATOM 0 HD2 PRO A 46 4.961 -2.280 6.218 1.00 10.00 H new ATOM 0 HD3 PRO A 46 3.581 -3.040 6.985 1.00 10.00 H new ATOM 653 N GLU A 47 3.301 2.383 5.855 1.00 10.00 N ATOM 654 CA GLU A 47 3.707 3.400 4.900 1.00 10.00 C ATOM 655 C GLU A 47 5.167 3.794 5.133 1.00 10.00 C ATOM 656 O GLU A 47 5.811 4.356 4.248 1.00 10.00 O ATOM 657 CB GLU A 47 2.791 4.623 4.978 1.00 10.00 C ATOM 658 CG GLU A 47 3.079 5.445 6.236 1.00 10.00 C ATOM 659 CD GLU A 47 1.995 6.501 6.461 1.00 10.00 C ATOM 660 OE1 GLU A 47 2.127 7.637 5.983 1.00 10.00 O ATOM 661 OE2 GLU A 47 0.986 6.105 7.161 1.00 10.00 O ATOM 0 H GLU A 47 2.639 2.702 6.562 1.00 10.00 H new ATOM 0 HA GLU A 47 3.618 2.984 3.897 1.00 10.00 H new ATOM 0 HB2 GLU A 47 2.932 5.244 4.093 1.00 10.00 H new ATOM 0 HB3 GLU A 47 1.749 4.302 4.980 1.00 10.00 H new ATOM 0 HG2 GLU A 47 3.134 4.785 7.102 1.00 10.00 H new ATOM 0 HG3 GLU A 47 4.051 5.930 6.143 1.00 10.00 H new ATOM 669 N ASN A 48 5.648 3.483 6.328 1.00 10.00 N ATOM 670 CA ASN A 48 6.996 3.863 6.715 1.00 10.00 C ATOM 671 C ASN A 48 8.004 3.036 5.915 1.00 10.00 C ATOM 672 O ASN A 48 9.131 3.473 5.690 1.00 10.00 O ATOM 673 CB ASN A 48 7.238 3.596 8.201 1.00 10.00 C ATOM 674 CG ASN A 48 7.156 2.100 8.510 1.00 10.00 C ATOM 675 OD1 ASN A 48 6.400 1.356 7.907 1.00 10.00 O ATOM 676 ND2 ASN A 48 7.974 1.702 9.480 1.00 10.00 N ATOM 0 H ASN A 48 5.128 2.972 7.041 1.00 10.00 H new ATOM 0 HA ASN A 48 7.116 4.928 6.516 1.00 10.00 H new ATOM 0 HB2 ASN A 48 8.218 3.977 8.488 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.500 4.135 8.796 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.994 0.721 9.760 1.00 10.00 H new ATOM 0 HD22 ASN A 48 8.581 2.377 9.944 1.00 10.00 H new ATOM 683 N ALA A 49 7.562 1.855 5.508 1.00 10.00 N ATOM 684 CA ALA A 49 8.406 0.969 4.724 1.00 10.00 C ATOM 685 C ALA A 49 8.287 1.336 3.244 1.00 10.00 C ATOM 686 O ALA A 49 7.332 0.938 2.577 1.00 10.00 O ATOM 687 CB ALA A 49 8.015 -0.484 4.999 1.00 10.00 C ATOM 0 H ALA A 49 6.630 1.491 5.707 1.00 10.00 H new ATOM 0 HA ALA A 49 9.452 1.084 5.008 1.00 10.00 H new ATOM 0 HB1 ALA A 49 8.648 -1.149 4.411 1.00 10.00 H new ATOM 0 HB2 ALA A 49 8.146 -0.702 6.059 1.00 10.00 H new ATOM 0 HB3 ALA A 49 6.972 -0.639 4.723 1.00 10.00 H new ATOM 693 N LYS A 50 9.269 2.090 2.773 1.00 10.00 N ATOM 694 CA LYS A 50 9.260 2.556 1.396 1.00 10.00 C ATOM 695 C LYS A 50 9.439 1.362 0.457 1.00 10.00 C ATOM 696 O LYS A 50 10.265 0.486 0.711 1.00 10.00 O ATOM 697 CB LYS A 50 10.304 3.657 1.197 1.00 10.00 C ATOM 698 CG LYS A 50 10.201 4.262 -0.205 1.00 10.00 C ATOM 699 CD LYS A 50 11.221 3.627 -1.152 1.00 10.00 C ATOM 700 CE LYS A 50 11.098 4.209 -2.561 1.00 10.00 C ATOM 701 NZ LYS A 50 11.960 3.465 -3.507 1.00 10.00 N ATOM 0 H LYS A 50 10.076 2.390 3.320 1.00 10.00 H new ATOM 0 HA LYS A 50 8.300 3.011 1.154 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.163 4.437 1.945 1.00 10.00 H new ATOM 0 HB3 LYS A 50 11.303 3.248 1.348 1.00 10.00 H new ATOM 0 HG2 LYS A 50 9.194 4.113 -0.596 1.00 10.00 H new ATOM 0 HG3 LYS A 50 10.367 5.338 -0.154 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.229 3.795 -0.772 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.069 2.548 -1.186 1.00 10.00 H new ATOM 0 HE2 LYS A 50 10.060 4.161 -2.891 1.00 10.00 H new ATOM 0 HE3 LYS A 50 11.382 5.261 -2.552 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 11.864 3.873 -4.459 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.951 3.532 -3.200 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 11.671 2.466 -3.528 1.00 10.00 H new ATOM 714 N VAL A 51 8.652 1.365 -0.609 1.00 10.00 N ATOM 715 CA VAL A 51 8.774 0.340 -1.632 1.00 10.00 C ATOM 716 C VAL A 51 8.915 1.008 -3.002 1.00 10.00 C ATOM 717 O VAL A 51 8.397 2.102 -3.219 1.00 10.00 O ATOM 718 CB VAL A 51 7.586 -0.620 -1.555 1.00 10.00 C ATOM 719 CG1 VAL A 51 7.378 -1.121 -0.124 1.00 10.00 C ATOM 720 CG2 VAL A 51 6.314 0.035 -2.096 1.00 10.00 C ATOM 0 H VAL A 51 7.928 2.061 -0.786 1.00 10.00 H new ATOM 0 HA VAL A 51 9.670 -0.259 -1.468 1.00 10.00 H new ATOM 0 HB VAL A 51 7.812 -1.482 -2.183 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.527 -1.802 -0.097 1.00 10.00 H new ATOM 0 HG12 VAL A 51 8.273 -1.645 0.212 1.00 10.00 H new ATOM 0 HG13 VAL A 51 7.185 -0.273 0.534 1.00 10.00 H new ATOM 0 HG21 VAL A 51 5.485 -0.670 -2.029 1.00 10.00 H new ATOM 0 HG22 VAL A 51 6.083 0.923 -1.507 1.00 10.00 H new ATOM 0 HG23 VAL A 51 6.466 0.319 -3.137 1.00 10.00 H new ATOM 730 N SER A 52 9.618 0.320 -3.890 1.00 10.00 N ATOM 731 CA SER A 52 9.574 0.657 -5.302 1.00 10.00 C ATOM 732 C SER A 52 8.466 -0.138 -5.996 1.00 10.00 C ATOM 733 O SER A 52 8.183 -1.274 -5.618 1.00 10.00 O ATOM 734 CB SER A 52 10.921 0.388 -5.975 1.00 10.00 C ATOM 735 OG SER A 52 10.845 0.515 -7.393 1.00 10.00 O ATOM 0 H SER A 52 10.221 -0.469 -3.658 1.00 10.00 H new ATOM 0 HA SER A 52 9.360 1.722 -5.392 1.00 10.00 H new ATOM 0 HB2 SER A 52 11.665 1.084 -5.588 1.00 10.00 H new ATOM 0 HB3 SER A 52 11.260 -0.616 -5.719 1.00 10.00 H new ATOM 0 HG SER A 52 10.829 1.464 -7.636 1.00 10.00 H new ATOM 741 N ASP A 53 7.869 0.490 -6.998 1.00 10.00 N ATOM 742 CA ASP A 53 7.075 -0.240 -7.971 1.00 10.00 C ATOM 743 C ASP A 53 7.533 0.136 -9.382 1.00 10.00 C ATOM 744 O ASP A 53 6.731 0.151 -10.315 1.00 10.00 O ATOM 745 CB ASP A 53 5.591 0.112 -7.846 1.00 10.00 C ATOM 746 CG ASP A 53 5.254 1.585 -8.086 1.00 10.00 C ATOM 747 OD1 ASP A 53 4.144 1.923 -8.525 1.00 10.00 O ATOM 748 OD2 ASP A 53 6.199 2.415 -7.798 1.00 10.00 O ATOM 0 H ASP A 53 7.919 1.496 -7.157 1.00 10.00 H new ATOM 0 HA ASP A 53 7.210 -1.306 -7.785 1.00 10.00 H new ATOM 0 HB2 ASP A 53 5.028 -0.494 -8.556 1.00 10.00 H new ATOM 0 HB3 ASP A 53 5.250 -0.166 -6.849 1.00 10.00 H new ATOM 754 N SER A 54 8.820 0.429 -9.493 1.00 10.00 N ATOM 755 CA SER A 54 9.330 1.127 -10.661 1.00 10.00 C ATOM 756 C SER A 54 10.422 0.292 -11.334 1.00 10.00 C ATOM 757 O SER A 54 11.490 0.807 -11.658 1.00 10.00 O ATOM 758 CB SER A 54 9.873 2.506 -10.285 1.00 10.00 C ATOM 759 OG SER A 54 10.718 2.453 -9.139 1.00 10.00 O ATOM 0 H SER A 54 9.525 0.196 -8.794 1.00 10.00 H new ATOM 0 HA SER A 54 8.507 1.269 -11.361 1.00 10.00 H new ATOM 0 HB2 SER A 54 10.429 2.918 -11.127 1.00 10.00 H new ATOM 0 HB3 SER A 54 9.041 3.183 -10.091 1.00 10.00 H new ATOM 0 HG SER A 54 10.916 3.364 -8.836 1.00 10.00 H new ATOM 765 N ALA A 55 10.115 -0.983 -11.523 1.00 10.00 N ATOM 766 CA ALA A 55 10.895 -1.815 -12.424 1.00 10.00 C ATOM 767 C ALA A 55 12.358 -1.810 -11.976 1.00 10.00 C ATOM 768 O ALA A 55 13.263 -1.682 -12.800 1.00 10.00 O ATOM 769 CB ALA A 55 10.723 -1.315 -13.859 1.00 10.00 C ATOM 0 H ALA A 55 9.337 -1.460 -11.068 1.00 10.00 H new ATOM 0 HA ALA A 55 10.544 -2.847 -12.395 1.00 10.00 H new ATOM 0 HB1 ALA A 55 11.308 -1.939 -14.534 1.00 10.00 H new ATOM 0 HB2 ALA A 55 9.671 -1.366 -14.138 1.00 10.00 H new ATOM 0 HB3 ALA A 55 11.068 -0.283 -13.929 1.00 10.00 H new ATOM 775 N THR A 56 12.546 -1.950 -10.672 1.00 10.00 N ATOM 776 CA THR A 56 13.876 -2.156 -10.125 1.00 10.00 C ATOM 777 C THR A 56 14.813 -1.029 -10.563 1.00 10.00 C ATOM 778 O THR A 56 15.737 -1.253 -11.343 1.00 10.00 O ATOM 779 CB THR A 56 14.354 -3.545 -10.555 1.00 10.00 C ATOM 780 OG1 THR A 56 13.340 -4.424 -10.075 1.00 10.00 O ATOM 781 CG2 THR A 56 15.614 -3.987 -9.809 1.00 10.00 C ATOM 0 H THR A 56 11.799 -1.925 -9.978 1.00 10.00 H new ATOM 0 HA THR A 56 13.865 -2.123 -9.036 1.00 10.00 H new ATOM 0 HB THR A 56 14.548 -3.547 -11.628 1.00 10.00 H new ATOM 0 HG1 THR A 56 13.697 -5.335 -10.018 1.00 10.00 H new ATOM 0 HG21 THR A 56 15.911 -4.978 -10.151 1.00 10.00 H new ATOM 0 HG22 THR A 56 16.420 -3.279 -10.005 1.00 10.00 H new ATOM 0 HG23 THR A 56 15.411 -4.019 -8.739 1.00 10.00 H new ATOM 789 N ASN A 57 14.542 0.158 -10.041 1.00 10.00 N ATOM 790 CA ASN A 57 15.355 1.320 -10.361 1.00 10.00 C ATOM 791 C ASN A 57 16.558 1.370 -9.418 1.00 10.00 C ATOM 792 O ASN A 57 17.576 1.983 -9.737 1.00 10.00 O ATOM 793 CB ASN A 57 14.560 2.614 -10.184 1.00 10.00 C ATOM 794 CG ASN A 57 14.344 2.927 -8.702 1.00 10.00 C ATOM 795 OD1 ASN A 57 15.134 3.602 -8.062 1.00 10.00 O ATOM 796 ND2 ASN A 57 13.234 2.399 -8.194 1.00 10.00 N ATOM 0 H ASN A 57 13.771 0.341 -9.399 1.00 10.00 H new ATOM 0 HA ASN A 57 15.674 1.233 -11.400 1.00 10.00 H new ATOM 0 HB2 ASN A 57 15.090 3.439 -10.660 1.00 10.00 H new ATOM 0 HB3 ASN A 57 13.596 2.524 -10.685 1.00 10.00 H new ATOM 0 HD21 ASN A 57 13.001 2.549 -7.213 1.00 10.00 H new ATOM 0 HD22 ASN A 57 12.616 1.844 -8.786 1.00 10.00 H new ATOM 803 N ILE A 58 16.402 0.718 -8.275 1.00 10.00 N ATOM 804 CA ILE A 58 17.534 0.453 -7.404 1.00 10.00 C ATOM 805 C ILE A 58 18.176 -0.878 -7.801 1.00 10.00 C ATOM 806 O ILE A 58 17.506 -1.759 -8.338 1.00 10.00 O ATOM 807 CB ILE A 58 17.107 0.516 -5.936 1.00 10.00 C ATOM 808 CG1 ILE A 58 16.376 1.826 -5.634 1.00 10.00 C ATOM 809 CG2 ILE A 58 18.304 0.300 -5.007 1.00 10.00 C ATOM 810 CD1 ILE A 58 15.902 1.866 -4.180 1.00 10.00 C ATOM 0 H ILE A 58 15.508 0.365 -7.932 1.00 10.00 H new ATOM 0 HA ILE A 58 18.296 1.224 -7.524 1.00 10.00 H new ATOM 0 HB ILE A 58 16.404 -0.296 -5.749 1.00 10.00 H new ATOM 0 HG12 ILE A 58 17.039 2.669 -5.828 1.00 10.00 H new ATOM 0 HG13 ILE A 58 15.521 1.932 -6.302 1.00 10.00 H new ATOM 0 HG21 ILE A 58 17.973 0.350 -3.970 1.00 10.00 H new ATOM 0 HG22 ILE A 58 18.743 -0.678 -5.201 1.00 10.00 H new ATOM 0 HG23 ILE A 58 19.049 1.075 -5.188 1.00 10.00 H new ATOM 0 HD11 ILE A 58 15.386 2.807 -3.991 1.00 10.00 H new ATOM 0 HD12 ILE A 58 15.221 1.035 -3.996 1.00 10.00 H new ATOM 0 HD13 ILE A 58 16.762 1.784 -3.515 1.00 10.00 H new