USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 406 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+ 137:sc= 0.135 (180deg=0) USER MOD Set 1.2: A 52 SER OG : rot -140:sc= 0 USER MOD Set 1.3: A 54 SER OG : rot 12:sc= -0.221 USER MOD Set 1.4: A 57 ASN : amide:sc= -2.28 K(o=-2.4,f=-13!) USER MOD Single : A 1 LYS N :NH3+ 163:sc= 1.19 (180deg=0.686) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= -0.176 (180deg=-0.934) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0039 USER MOD Single : A 18 ASN : amide:sc= 0.364 K(o=0.36,f=-7.6!) USER MOD Single : A 19 ASN : amide:sc= -3.43! C(o=-3.4!,f=-13!) USER MOD Single : A 20 TYR OH : rot 150:sc= -1.41 USER MOD Single : A 23 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.2!) USER MOD Single : A 24 GLN : amide:sc= -0.0432 K(o=-0.043,f=-0.58) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= 0.357 (180deg=0.161) USER MOD Single : A 27 MET CE :methyl 157:sc= -0.0786 (180deg=-1.49!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -5.13! C(o=-5.1!,f=-4.9!) 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 39 SER OG : rot 76:sc= 1.19 USER MOD Single : A 41 TYR OH : rot 150:sc= -0.908 USER MOD Single : A 48 ASN : amide:sc= -0.931 X(o=-0.93,f=-0.54!) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0224) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.010 10.385 -5.040 1.00 0.00 N ATOM 2 CA LYS A 1 -2.935 9.557 -5.667 1.00 0.00 C ATOM 3 C LYS A 1 -3.033 8.107 -5.185 1.00 0.00 C ATOM 4 O LYS A 1 -3.627 7.818 -4.164 1.00 0.00 O ATOM 5 CB LYS A 1 -1.616 10.182 -5.204 1.00 0.00 C ATOM 6 CG LYS A 1 -1.444 9.950 -3.701 1.00 0.00 C ATOM 7 CD LYS A 1 -0.011 10.297 -3.289 1.00 0.00 C ATOM 8 CE LYS A 1 0.527 9.217 -2.345 1.00 0.00 C ATOM 9 NZ LYS A 1 1.410 9.943 -1.388 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.772 11.393 -5.135 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.915 10.197 -5.516 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.092 10.142 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.017 9.541 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.781 9.742 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.611 11.250 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.152 10.564 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.662 8.911 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.624 10.372 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.011 11.269 -2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.285 8.708 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 1 1.081 8.455 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.570 9.353 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.321 10.149 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 0.956 10.834 -1.104 1.00 0.00 H new ATOM 25 N ASP A 2 -2.454 7.195 -5.914 1.00 0.00 N ATOM 26 CA ASP A 2 -2.510 5.763 -5.502 1.00 0.00 C ATOM 27 C ASP A 2 -1.099 5.256 -5.197 1.00 0.00 C ATOM 28 O ASP A 2 -0.130 5.727 -5.756 1.00 0.00 O ATOM 29 CB ASP A 2 -3.099 5.020 -6.705 1.00 0.00 C ATOM 30 CG ASP A 2 -4.222 5.853 -7.331 1.00 0.00 C ATOM 31 OD1 ASP A 2 -4.756 6.705 -6.641 1.00 0.00 O ATOM 32 OD2 ASP A 2 -4.525 5.624 -8.490 1.00 0.00 O ATOM 0 H ASP A 2 -1.944 7.378 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.109 5.613 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.320 4.830 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.485 4.050 -6.392 1.00 0.00 H new ATOM 37 N GLY A 3 -0.972 4.303 -4.315 1.00 0.00 N ATOM 38 CA GLY A 3 0.384 3.780 -3.985 1.00 0.00 C ATOM 39 C GLY A 3 0.272 2.622 -2.993 1.00 0.00 C ATOM 40 O GLY A 3 -0.802 2.123 -2.718 1.00 0.00 O ATOM 0 H GLY A 3 -1.744 3.866 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.884 3.444 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 3 0.996 4.576 -3.560 1.00 0.00 H new ATOM 44 N TYR A 4 1.379 2.199 -2.447 1.00 0.00 N ATOM 45 CA TYR A 4 1.355 1.080 -1.464 1.00 0.00 C ATOM 46 C TYR A 4 1.588 1.632 -0.057 1.00 0.00 C ATOM 47 O TYR A 4 2.436 2.478 0.140 1.00 0.00 O ATOM 48 CB TYR A 4 2.509 0.161 -1.873 1.00 0.00 C ATOM 49 CG TYR A 4 2.384 -0.199 -3.335 1.00 0.00 C ATOM 50 CD1 TYR A 4 2.790 0.711 -4.320 1.00 0.00 C ATOM 51 CD2 TYR A 4 1.865 -1.444 -3.704 1.00 0.00 C ATOM 52 CE1 TYR A 4 2.676 0.372 -5.674 1.00 0.00 C ATOM 53 CE2 TYR A 4 1.752 -1.783 -5.057 1.00 0.00 C ATOM 54 CZ TYR A 4 2.156 -0.874 -6.042 1.00 0.00 C ATOM 55 OH TYR A 4 2.044 -1.209 -7.377 1.00 0.00 O ATOM 0 H TYR A 4 2.304 2.583 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 4 0.402 0.551 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.463 0.657 -1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 4 2.499 -0.743 -1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.190 1.673 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.551 -2.144 -2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 4 2.989 1.072 -6.434 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.353 -2.746 -5.341 1.00 0.00 H new ATOM 0 HH TYR A 4 1.665 -2.109 -7.458 1.00 0.00 H new ATOM 65 N PRO A 5 0.823 1.140 0.877 1.00 0.00 N ATOM 66 CA PRO A 5 0.950 1.604 2.278 1.00 0.00 C ATOM 67 C PRO A 5 2.214 1.031 2.923 1.00 0.00 C ATOM 68 O PRO A 5 2.543 -0.127 2.753 1.00 0.00 O ATOM 69 CB PRO A 5 -0.298 1.053 2.954 1.00 0.00 C ATOM 70 CG PRO A 5 -0.696 -0.133 2.132 1.00 0.00 C ATOM 71 CD PRO A 5 -0.218 0.120 0.722 1.00 0.00 C ATOM 0 HA PRO A 5 1.032 2.688 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.094 0.767 3.986 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.093 1.798 2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.251 -1.045 2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.777 -0.270 2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.178 -0.788 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.028 0.471 0.083 1.00 0.00 H new ATOM 79 N VAL A 6 2.919 1.835 3.667 1.00 0.00 N ATOM 80 CA VAL A 6 4.161 1.341 4.332 1.00 0.00 C ATOM 81 C VAL A 6 4.072 1.547 5.844 1.00 0.00 C ATOM 82 O VAL A 6 3.204 2.239 6.339 1.00 0.00 O ATOM 83 CB VAL A 6 5.298 2.178 3.748 1.00 0.00 C ATOM 84 CG1 VAL A 6 5.582 1.724 2.314 1.00 0.00 C ATOM 85 CG2 VAL A 6 4.901 3.656 3.752 1.00 0.00 C ATOM 0 H VAL A 6 2.691 2.813 3.845 1.00 0.00 H new ATOM 0 HA VAL A 6 4.314 0.275 4.162 1.00 0.00 H new ATOM 0 HB VAL A 6 6.195 2.045 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.393 2.321 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.869 0.672 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.686 1.855 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.713 4.252 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.003 3.793 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.703 3.977 4.775 1.00 0.00 H new ATOM 95 N ASP A 7 4.963 0.946 6.580 1.00 0.00 N ATOM 96 CA ASP A 7 4.932 1.101 8.063 1.00 0.00 C ATOM 97 C ASP A 7 6.030 2.064 8.521 1.00 0.00 C ATOM 98 O ASP A 7 6.789 2.580 7.724 1.00 0.00 O ATOM 99 CB ASP A 7 5.184 -0.303 8.614 1.00 0.00 C ATOM 100 CG ASP A 7 6.491 -0.852 8.039 1.00 0.00 C ATOM 101 OD1 ASP A 7 7.359 -0.054 7.722 1.00 0.00 O ATOM 102 OD2 ASP A 7 6.604 -2.062 7.927 1.00 0.00 O ATOM 0 H ASP A 7 5.712 0.354 6.221 1.00 0.00 H new ATOM 0 HA ASP A 7 3.986 1.513 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.238 -0.273 9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.355 -0.961 8.353 1.00 0.00 H new ATOM 107 N SER A 8 6.122 2.309 9.801 1.00 0.00 N ATOM 108 CA SER A 8 7.172 3.238 10.308 1.00 0.00 C ATOM 109 C SER A 8 8.553 2.786 9.825 1.00 0.00 C ATOM 110 O SER A 8 9.504 3.542 9.836 1.00 0.00 O ATOM 111 CB SER A 8 7.079 3.149 11.831 1.00 0.00 C ATOM 112 OG SER A 8 7.828 2.029 12.284 1.00 0.00 O ATOM 0 H SER A 8 5.516 1.906 10.516 1.00 0.00 H new ATOM 0 HA SER A 8 7.029 4.258 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.461 4.064 12.284 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.038 3.052 12.138 1.00 0.00 H new ATOM 0 HG SER A 8 7.771 1.971 13.261 1.00 0.00 H new ATOM 118 N LYS A 9 8.667 1.557 9.398 1.00 0.00 N ATOM 119 CA LYS A 9 9.984 1.055 8.912 1.00 0.00 C ATOM 120 C LYS A 9 10.239 1.538 7.481 1.00 0.00 C ATOM 121 O LYS A 9 11.362 1.794 7.096 1.00 0.00 O ATOM 122 CB LYS A 9 9.866 -0.470 8.950 1.00 0.00 C ATOM 123 CG LYS A 9 11.262 -1.093 8.913 1.00 0.00 C ATOM 124 CD LYS A 9 11.212 -2.492 9.531 1.00 0.00 C ATOM 125 CE LYS A 9 10.053 -3.280 8.916 1.00 0.00 C ATOM 126 NZ LYS A 9 10.313 -4.698 9.290 1.00 0.00 N ATOM 0 H LYS A 9 7.905 0.879 9.365 1.00 0.00 H new ATOM 0 HA LYS A 9 10.813 1.415 9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.341 -0.782 9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.278 -0.821 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.619 -1.150 7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.966 -0.467 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.153 -3.013 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.084 -2.420 10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.093 -2.939 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.021 -3.156 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.560 -5.303 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.230 -4.997 8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.331 -4.786 10.326 1.00 0.00 H new ATOM 140 N GLY A 10 9.208 1.664 6.688 1.00 0.00 N ATOM 141 CA GLY A 10 9.405 2.130 5.287 1.00 0.00 C ATOM 142 C GLY A 10 9.191 0.960 4.330 1.00 0.00 C ATOM 143 O GLY A 10 9.659 0.967 3.208 1.00 0.00 O ATOM 0 H GLY A 10 8.242 1.465 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.706 2.934 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.409 2.536 5.165 1.00 0.00 H new ATOM 147 N CYS A 11 8.487 -0.046 4.765 1.00 0.00 N ATOM 148 CA CYS A 11 8.239 -1.220 3.884 1.00 0.00 C ATOM 149 C CYS A 11 6.757 -1.295 3.509 1.00 0.00 C ATOM 150 O CYS A 11 5.887 -1.084 4.333 1.00 0.00 O ATOM 151 CB CYS A 11 8.643 -2.432 4.723 1.00 0.00 C ATOM 152 SG CYS A 11 10.405 -2.332 5.120 1.00 0.00 S ATOM 0 H CYS A 11 8.072 -0.106 5.695 1.00 0.00 H new ATOM 0 HA CYS A 11 8.799 -1.164 2.951 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.054 -2.465 5.640 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.434 -3.352 4.176 1.00 0.00 H new ATOM 157 N LYS A 12 6.464 -1.594 2.273 1.00 0.00 N ATOM 158 CA LYS A 12 5.040 -1.688 1.841 1.00 0.00 C ATOM 159 C LYS A 12 4.296 -2.710 2.705 1.00 0.00 C ATOM 160 O LYS A 12 4.884 -3.394 3.519 1.00 0.00 O ATOM 161 CB LYS A 12 5.101 -2.154 0.386 1.00 0.00 C ATOM 162 CG LYS A 12 5.984 -1.199 -0.421 1.00 0.00 C ATOM 163 CD LYS A 12 5.606 -1.278 -1.902 1.00 0.00 C ATOM 164 CE LYS A 12 5.818 -2.707 -2.408 1.00 0.00 C ATOM 165 NZ LYS A 12 7.214 -2.728 -2.925 1.00 0.00 N ATOM 0 H LYS A 12 7.151 -1.778 1.542 1.00 0.00 H new ATOM 0 HA LYS A 12 4.510 -0.741 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.501 -3.167 0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.098 -2.185 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.860 -0.179 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.034 -1.459 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.566 -0.983 -2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.213 -0.582 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.683 -3.434 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.103 -2.959 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.684 -3.604 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.200 -2.686 -3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.735 -1.908 -2.553 1.00 0.00 H new ATOM 179 N LEU A 13 3.007 -2.816 2.539 1.00 0.00 N ATOM 180 CA LEU A 13 2.227 -3.790 3.358 1.00 0.00 C ATOM 181 C LEU A 13 1.882 -5.032 2.531 1.00 0.00 C ATOM 182 O LEU A 13 0.914 -5.051 1.798 1.00 0.00 O ATOM 183 CB LEU A 13 0.957 -3.037 3.753 1.00 0.00 C ATOM 184 CG LEU A 13 0.092 -3.923 4.650 1.00 0.00 C ATOM 185 CD1 LEU A 13 0.838 -4.215 5.954 1.00 0.00 C ATOM 186 CD2 LEU A 13 -1.219 -3.199 4.966 1.00 0.00 C ATOM 0 H LEU A 13 2.459 -2.272 1.873 1.00 0.00 H new ATOM 0 HA LEU A 13 2.785 -4.140 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.216 -2.116 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.400 -2.751 2.861 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.122 -4.860 4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.221 -4.847 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.773 -4.728 5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.052 -3.278 6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.837 -3.829 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.003 -2.262 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.752 -2.990 4.038 1.00 0.00 H new ATOM 198 N SER A 14 2.663 -6.074 2.647 1.00 0.00 N ATOM 199 CA SER A 14 2.367 -7.312 1.869 1.00 0.00 C ATOM 200 C SER A 14 0.943 -7.783 2.170 1.00 0.00 C ATOM 201 O SER A 14 0.462 -7.658 3.279 1.00 0.00 O ATOM 202 CB SER A 14 3.384 -8.345 2.351 1.00 0.00 C ATOM 203 OG SER A 14 4.697 -7.823 2.188 1.00 0.00 O ATOM 0 H SER A 14 3.489 -6.121 3.244 1.00 0.00 H new ATOM 0 HA SER A 14 2.436 -7.151 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.204 -8.588 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.275 -9.271 1.786 1.00 0.00 H new ATOM 0 HG SER A 14 5.352 -8.483 2.498 1.00 0.00 H new ATOM 209 N CYS A 15 0.260 -8.316 1.195 1.00 0.00 N ATOM 210 CA CYS A 15 -1.134 -8.784 1.441 1.00 0.00 C ATOM 211 C CYS A 15 -1.423 -10.062 0.650 1.00 0.00 C ATOM 212 O CYS A 15 -0.781 -10.353 -0.339 1.00 0.00 O ATOM 213 CB CYS A 15 -2.025 -7.642 0.949 1.00 0.00 C ATOM 214 SG CYS A 15 -1.535 -7.177 -0.730 1.00 0.00 S ATOM 0 H CYS A 15 0.604 -8.448 0.244 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.305 -9.020 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.070 -7.950 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.937 -6.784 1.616 1.00 0.00 H new ATOM 219 N VAL A 16 -2.392 -10.821 1.079 1.00 0.00 N ATOM 220 CA VAL A 16 -2.738 -12.076 0.356 1.00 0.00 C ATOM 221 C VAL A 16 -4.246 -12.122 0.098 1.00 0.00 C ATOM 222 O VAL A 16 -4.795 -13.141 -0.270 1.00 0.00 O ATOM 223 CB VAL A 16 -2.307 -13.207 1.293 1.00 0.00 C ATOM 224 CG1 VAL A 16 -3.317 -13.349 2.434 1.00 0.00 C ATOM 225 CG2 VAL A 16 -2.240 -14.520 0.510 1.00 0.00 C ATOM 0 H VAL A 16 -2.961 -10.625 1.902 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.246 -12.153 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.325 -12.975 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.005 -14.155 3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.366 -12.416 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.300 -13.577 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.933 -15.326 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.222 -14.747 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.517 -14.424 -0.300 1.00 0.00 H new ATOM 235 N ALA A 17 -4.917 -11.019 0.293 1.00 0.00 N ATOM 236 CA ALA A 17 -6.391 -10.984 0.064 1.00 0.00 C ATOM 237 C ALA A 17 -6.829 -9.570 -0.326 1.00 0.00 C ATOM 238 O ALA A 17 -6.373 -8.593 0.234 1.00 0.00 O ATOM 239 CB ALA A 17 -7.006 -11.378 1.406 1.00 0.00 C ATOM 0 H ALA A 17 -4.507 -10.138 0.602 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.701 -11.650 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.093 -11.376 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.665 -12.375 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.700 -10.664 2.170 1.00 0.00 H new ATOM 245 N ASN A 18 -7.709 -9.451 -1.282 1.00 0.00 N ATOM 246 CA ASN A 18 -8.171 -8.096 -1.702 1.00 0.00 C ATOM 247 C ASN A 18 -9.053 -7.477 -0.617 1.00 0.00 C ATOM 248 O ASN A 18 -9.001 -6.290 -0.364 1.00 0.00 O ATOM 249 CB ASN A 18 -8.973 -8.328 -2.982 1.00 0.00 C ATOM 250 CG ASN A 18 -8.038 -8.248 -4.188 1.00 0.00 C ATOM 251 OD1 ASN A 18 -7.094 -7.483 -4.190 1.00 0.00 O ATOM 252 ND2 ASN A 18 -8.260 -9.010 -5.223 1.00 0.00 N ATOM 0 H ASN A 18 -8.128 -10.230 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.340 -7.409 -1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.459 -9.303 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.763 -7.582 -3.070 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.642 -8.963 -6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.052 -9.653 -5.223 1.00 0.00 H new ATOM 259 N ASN A 19 -9.863 -8.269 0.029 1.00 0.00 N ATOM 260 CA ASN A 19 -10.743 -7.719 1.098 1.00 0.00 C ATOM 261 C ASN A 19 -9.900 -6.985 2.143 1.00 0.00 C ATOM 262 O ASN A 19 -10.286 -5.952 2.655 1.00 0.00 O ATOM 263 CB ASN A 19 -11.425 -8.937 1.719 1.00 0.00 C ATOM 264 CG ASN A 19 -10.386 -10.028 1.968 1.00 0.00 C ATOM 265 OD1 ASN A 19 -9.797 -10.546 1.040 1.00 0.00 O ATOM 266 ND2 ASN A 19 -10.136 -10.400 3.190 1.00 0.00 N ATOM 0 H ASN A 19 -9.954 -9.271 -0.137 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.468 -7.003 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.908 -8.659 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.206 -9.308 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.444 -11.128 3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.632 -9.964 3.967 1.00 0.00 H new ATOM 273 N TYR A 20 -8.748 -7.510 2.464 1.00 0.00 N ATOM 274 CA TYR A 20 -7.882 -6.839 3.474 1.00 0.00 C ATOM 275 C TYR A 20 -7.471 -5.452 2.975 1.00 0.00 C ATOM 276 O TYR A 20 -7.473 -4.490 3.715 1.00 0.00 O ATOM 277 CB TYR A 20 -6.657 -7.741 3.613 1.00 0.00 C ATOM 278 CG TYR A 20 -5.641 -7.066 4.502 1.00 0.00 C ATOM 279 CD1 TYR A 20 -6.033 -6.554 5.744 1.00 0.00 C ATOM 280 CD2 TYR A 20 -4.311 -6.949 4.083 1.00 0.00 C ATOM 281 CE1 TYR A 20 -5.094 -5.923 6.569 1.00 0.00 C ATOM 282 CE2 TYR A 20 -3.372 -6.319 4.908 1.00 0.00 C ATOM 283 CZ TYR A 20 -3.763 -5.806 6.150 1.00 0.00 C ATOM 284 OH TYR A 20 -2.837 -5.184 6.963 1.00 0.00 O ATOM 0 H TYR A 20 -8.371 -8.372 2.071 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.393 -6.699 4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.945 -8.703 4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.224 -7.940 2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.060 -6.646 6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.009 -7.344 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.396 -5.527 7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.345 -6.229 4.586 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.951 -5.573 6.807 1.00 0.00 H new ATOM 294 N CYS A 21 -7.119 -5.342 1.723 1.00 0.00 N ATOM 295 CA CYS A 21 -6.711 -4.015 1.181 1.00 0.00 C ATOM 296 C CYS A 21 -7.939 -3.115 1.022 1.00 0.00 C ATOM 297 O CYS A 21 -7.891 -1.931 1.291 1.00 0.00 O ATOM 298 CB CYS A 21 -6.081 -4.315 -0.179 1.00 0.00 C ATOM 299 SG CYS A 21 -4.349 -4.789 0.052 1.00 0.00 S ATOM 0 H CYS A 21 -7.096 -6.111 1.054 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.017 -3.493 1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.626 -5.118 -0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.147 -3.439 -0.824 1.00 0.00 H new ATOM 304 N ASP A 22 -9.040 -3.669 0.591 1.00 0.00 N ATOM 305 CA ASP A 22 -10.271 -2.844 0.421 1.00 0.00 C ATOM 306 C ASP A 22 -10.590 -2.112 1.727 1.00 0.00 C ATOM 307 O ASP A 22 -10.760 -0.910 1.751 1.00 0.00 O ATOM 308 CB ASP A 22 -11.376 -3.845 0.080 1.00 0.00 C ATOM 309 CG ASP A 22 -12.702 -3.102 -0.095 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.968 -2.212 0.696 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.428 -3.436 -1.016 1.00 0.00 O ATOM 0 H ASP A 22 -9.141 -4.655 0.350 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.161 -2.085 -0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.125 -4.383 -0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.465 -4.588 0.872 1.00 0.00 H new ATOM 316 N ASN A 23 -10.665 -2.831 2.814 1.00 0.00 N ATOM 317 CA ASN A 23 -10.966 -2.179 4.121 1.00 0.00 C ATOM 318 C ASN A 23 -9.772 -1.332 4.569 1.00 0.00 C ATOM 319 O ASN A 23 -9.929 -0.224 5.043 1.00 0.00 O ATOM 320 CB ASN A 23 -11.203 -3.333 5.096 1.00 0.00 C ATOM 321 CG ASN A 23 -11.808 -2.789 6.391 1.00 0.00 C ATOM 322 OD1 ASN A 23 -12.595 -1.864 6.365 1.00 0.00 O ATOM 323 ND2 ASN A 23 -11.473 -3.328 7.531 1.00 0.00 N ATOM 0 H ASN A 23 -10.531 -3.841 2.854 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.828 -1.514 4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.872 -4.069 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.264 -3.844 5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.872 -2.973 8.400 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.812 -4.105 7.553 1.00 0.00 H new ATOM 330 N GLN A 24 -8.579 -1.841 4.419 1.00 0.00 N ATOM 331 CA GLN A 24 -7.379 -1.057 4.832 1.00 0.00 C ATOM 332 C GLN A 24 -7.332 0.263 4.059 1.00 0.00 C ATOM 333 O GLN A 24 -7.457 1.334 4.624 1.00 0.00 O ATOM 334 CB GLN A 24 -6.184 -1.939 4.466 1.00 0.00 C ATOM 335 CG GLN A 24 -4.891 -1.136 4.615 1.00 0.00 C ATOM 336 CD GLN A 24 -4.719 -0.708 6.074 1.00 0.00 C ATOM 337 OE1 GLN A 24 -4.993 -1.470 6.980 1.00 0.00 O ATOM 338 NE2 GLN A 24 -4.274 0.489 6.341 1.00 0.00 N ATOM 0 H GLN A 24 -8.383 -2.763 4.029 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.387 -0.808 5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.156 -2.817 5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.285 -2.299 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.039 -1.738 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.919 -0.259 3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.044 1.129 5.581 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.156 0.785 7.310 1.00 0.00 H new ATOM 347 N CYS A 25 -7.161 0.194 2.768 1.00 0.00 N ATOM 348 CA CYS A 25 -7.115 1.443 1.957 1.00 0.00 C ATOM 349 C CYS A 25 -8.237 2.387 2.391 1.00 0.00 C ATOM 350 O CYS A 25 -8.008 3.544 2.685 1.00 0.00 O ATOM 351 CB CYS A 25 -7.322 0.982 0.515 1.00 0.00 C ATOM 352 SG CYS A 25 -5.857 0.075 -0.036 1.00 0.00 S ATOM 0 H CYS A 25 -7.051 -0.672 2.240 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.178 1.987 2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.205 0.346 0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.497 1.841 -0.132 1.00 0.00 H new ATOM 357 N LYS A 26 -9.448 1.904 2.442 1.00 0.00 N ATOM 358 CA LYS A 26 -10.575 2.778 2.868 1.00 0.00 C ATOM 359 C LYS A 26 -10.179 3.537 4.136 1.00 0.00 C ATOM 360 O LYS A 26 -10.211 4.750 4.183 1.00 0.00 O ATOM 361 CB LYS A 26 -11.737 1.824 3.150 1.00 0.00 C ATOM 362 CG LYS A 26 -13.002 2.632 3.445 1.00 0.00 C ATOM 363 CD LYS A 26 -13.356 3.493 2.230 1.00 0.00 C ATOM 364 CE LYS A 26 -13.081 4.965 2.549 1.00 0.00 C ATOM 365 NZ LYS A 26 -13.465 5.705 1.315 1.00 0.00 N ATOM 0 H LYS A 26 -9.704 0.945 2.208 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.841 3.519 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.902 1.171 2.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.497 1.182 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.828 1.961 3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.846 3.265 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.768 3.181 1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.405 3.357 1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.665 5.299 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.031 5.126 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.681 6.693 1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.678 5.679 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.304 5.261 0.891 1.00 0.00 H new ATOM 379 N MET A 27 -9.794 2.827 5.162 1.00 0.00 N ATOM 380 CA MET A 27 -9.383 3.505 6.423 1.00 0.00 C ATOM 381 C MET A 27 -8.275 4.518 6.128 1.00 0.00 C ATOM 382 O MET A 27 -8.025 5.423 6.898 1.00 0.00 O ATOM 383 CB MET A 27 -8.861 2.384 7.324 1.00 0.00 C ATOM 384 CG MET A 27 -10.010 1.438 7.679 1.00 0.00 C ATOM 385 SD MET A 27 -9.356 -0.221 7.988 1.00 0.00 S ATOM 386 CE MET A 27 -8.005 0.270 9.087 1.00 0.00 C ATOM 0 H MET A 27 -9.747 1.808 5.181 1.00 0.00 H new ATOM 0 HA MET A 27 -10.202 4.051 6.891 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.067 1.835 6.817 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.428 2.804 8.232 1.00 0.00 H new ATOM 0 HG2 MET A 27 -10.536 1.803 8.561 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.735 1.409 6.866 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.722 -0.575 9.715 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.147 0.583 8.492 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.331 1.097 9.717 1.00 0.00 H new ATOM 396 N LYS A 28 -7.608 4.370 5.015 1.00 0.00 N ATOM 397 CA LYS A 28 -6.516 5.325 4.668 1.00 0.00 C ATOM 398 C LYS A 28 -7.046 6.434 3.753 1.00 0.00 C ATOM 399 O LYS A 28 -6.293 7.103 3.074 1.00 0.00 O ATOM 400 CB LYS A 28 -5.469 4.481 3.941 1.00 0.00 C ATOM 401 CG LYS A 28 -4.482 3.906 4.960 1.00 0.00 C ATOM 402 CD LYS A 28 -3.547 5.015 5.446 1.00 0.00 C ATOM 403 CE LYS A 28 -2.125 4.466 5.583 1.00 0.00 C ATOM 404 NZ LYS A 28 -1.276 5.660 5.851 1.00 0.00 N ATOM 0 H LYS A 28 -7.772 3.630 4.332 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.104 5.817 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.954 3.674 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.939 5.090 3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.023 3.476 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.904 3.100 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.559 5.848 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.892 5.401 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.058 3.743 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.810 3.954 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.285 5.364 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.355 6.327 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.595 6.123 6.726 1.00 0.00 H new ATOM 418 N LYS A 29 -8.336 6.636 3.735 1.00 0.00 N ATOM 419 CA LYS A 29 -8.917 7.706 2.869 1.00 0.00 C ATOM 420 C LYS A 29 -8.731 7.358 1.390 1.00 0.00 C ATOM 421 O LYS A 29 -8.635 8.228 0.547 1.00 0.00 O ATOM 422 CB LYS A 29 -8.136 8.972 3.222 1.00 0.00 C ATOM 423 CG LYS A 29 -9.011 10.201 2.963 1.00 0.00 C ATOM 424 CD LYS A 29 -8.370 11.430 3.613 1.00 0.00 C ATOM 425 CE LYS A 29 -8.860 11.558 5.059 1.00 0.00 C ATOM 426 NZ LYS A 29 -7.790 12.313 5.775 1.00 0.00 N ATOM 0 H LYS A 29 -9.014 6.107 4.283 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.988 7.827 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.831 8.944 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.225 9.028 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.124 10.361 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.010 10.041 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.284 11.340 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.626 12.328 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.812 12.087 5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.017 10.578 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.060 12.437 6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.896 11.784 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.667 13.245 5.331 1.00 0.00 H new ATOM 440 N ALA A 30 -8.683 6.096 1.067 1.00 0.00 N ATOM 441 CA ALA A 30 -8.506 5.700 -0.360 1.00 0.00 C ATOM 442 C ALA A 30 -9.840 5.234 -0.948 1.00 0.00 C ATOM 443 O ALA A 30 -10.869 5.300 -0.307 1.00 0.00 O ATOM 444 CB ALA A 30 -7.501 4.546 -0.332 1.00 0.00 C ATOM 0 H ALA A 30 -8.758 5.322 1.727 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.158 6.528 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.318 4.198 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.565 4.889 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.904 3.727 0.265 1.00 0.00 H new ATOM 450 N SER A 31 -9.827 4.762 -2.164 1.00 0.00 N ATOM 451 CA SER A 31 -11.090 4.287 -2.797 1.00 0.00 C ATOM 452 C SER A 31 -10.852 2.941 -3.487 1.00 0.00 C ATOM 453 O SER A 31 -11.677 2.050 -3.436 1.00 0.00 O ATOM 454 CB SER A 31 -11.451 5.366 -3.821 1.00 0.00 C ATOM 455 OG SER A 31 -11.534 4.784 -5.116 1.00 0.00 O ATOM 0 H SER A 31 -8.994 4.685 -2.748 1.00 0.00 H new ATOM 0 HA SER A 31 -11.890 4.136 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.402 5.829 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.699 6.155 -3.813 1.00 0.00 H new ATOM 0 HG SER A 31 -11.767 5.475 -5.771 1.00 0.00 H new ATOM 461 N GLY A 32 -9.727 2.788 -4.131 1.00 0.00 N ATOM 462 CA GLY A 32 -9.430 1.502 -4.824 1.00 0.00 C ATOM 463 C GLY A 32 -8.455 0.681 -3.979 1.00 0.00 C ATOM 464 O GLY A 32 -7.261 0.692 -4.206 1.00 0.00 O ATOM 0 H GLY A 32 -9.000 3.499 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.351 0.941 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.001 1.697 -5.807 1.00 0.00 H new ATOM 468 N GLY A 33 -8.953 -0.030 -3.004 1.00 0.00 N ATOM 469 CA GLY A 33 -8.053 -0.848 -2.144 1.00 0.00 C ATOM 470 C GLY A 33 -8.036 -2.293 -2.644 1.00 0.00 C ATOM 471 O GLY A 33 -9.053 -2.955 -2.697 1.00 0.00 O ATOM 0 H GLY A 33 -9.944 -0.079 -2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.044 -0.435 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.394 -0.815 -1.109 1.00 0.00 H new ATOM 475 N HIS A 34 -6.887 -2.786 -3.014 1.00 0.00 N ATOM 476 CA HIS A 34 -6.801 -4.187 -3.513 1.00 0.00 C ATOM 477 C HIS A 34 -5.373 -4.712 -3.356 1.00 0.00 C ATOM 478 O HIS A 34 -4.422 -3.955 -3.336 1.00 0.00 O ATOM 479 CB HIS A 34 -7.183 -4.096 -4.988 1.00 0.00 C ATOM 480 CG HIS A 34 -6.263 -3.130 -5.684 1.00 0.00 C ATOM 481 ND1 HIS A 34 -6.732 -1.994 -6.324 1.00 0.00 N ATOM 482 CD2 HIS A 34 -4.900 -3.117 -5.846 1.00 0.00 C ATOM 483 CE1 HIS A 34 -5.668 -1.350 -6.838 1.00 0.00 C ATOM 484 NE2 HIS A 34 -4.526 -1.991 -6.575 1.00 0.00 N ATOM 0 H HIS A 34 -6.002 -2.278 -2.992 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.450 -4.869 -2.964 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.116 -5.079 -5.454 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.217 -3.766 -5.088 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.706 -1.700 -6.393 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.221 -3.866 -5.466 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.730 -0.427 -7.395 1.00 0.00 H new ATOM 492 N CYS A 35 -5.212 -6.001 -3.243 1.00 0.00 N ATOM 493 CA CYS A 35 -3.842 -6.565 -3.086 1.00 0.00 C ATOM 494 C CYS A 35 -3.228 -6.858 -4.458 1.00 0.00 C ATOM 495 O CYS A 35 -3.721 -7.678 -5.207 1.00 0.00 O ATOM 496 CB CYS A 35 -4.031 -7.859 -2.294 1.00 0.00 C ATOM 497 SG CYS A 35 -2.411 -8.567 -1.907 1.00 0.00 S ATOM 0 H CYS A 35 -5.967 -6.687 -3.252 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.169 -5.874 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.582 -7.659 -1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.622 -8.569 -2.872 1.00 0.00 H new ATOM 502 N TYR A 36 -2.154 -6.193 -4.792 1.00 0.00 N ATOM 503 CA TYR A 36 -1.506 -6.432 -6.115 1.00 0.00 C ATOM 504 C TYR A 36 -0.020 -6.751 -5.923 1.00 0.00 C ATOM 505 O TYR A 36 0.657 -6.139 -5.121 1.00 0.00 O ATOM 506 CB TYR A 36 -1.677 -5.120 -6.881 1.00 0.00 C ATOM 507 CG TYR A 36 -1.882 -5.414 -8.348 1.00 0.00 C ATOM 508 CD1 TYR A 36 -3.170 -5.656 -8.843 1.00 0.00 C ATOM 509 CD2 TYR A 36 -0.783 -5.444 -9.214 1.00 0.00 C ATOM 510 CE1 TYR A 36 -3.357 -5.928 -10.204 1.00 0.00 C ATOM 511 CE2 TYR A 36 -0.969 -5.716 -10.574 1.00 0.00 C ATOM 512 CZ TYR A 36 -2.256 -5.958 -11.070 1.00 0.00 C ATOM 513 OH TYR A 36 -2.440 -6.226 -12.411 1.00 0.00 O ATOM 0 H TYR A 36 -1.697 -5.494 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.947 -7.275 -6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.530 -4.566 -6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.798 -4.490 -6.745 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.018 -5.633 -8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.210 -5.257 -8.832 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.350 -6.115 -10.586 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.120 -5.739 -11.241 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.574 -6.208 -12.870 1.00 0.00 H new ATOM 523 N ALA A 37 0.493 -7.705 -6.652 1.00 0.00 N ATOM 524 CA ALA A 37 1.936 -8.057 -6.505 1.00 0.00 C ATOM 525 C ALA A 37 2.261 -8.345 -5.037 1.00 0.00 C ATOM 526 O ALA A 37 3.223 -7.840 -4.493 1.00 0.00 O ATOM 527 CB ALA A 37 2.694 -6.821 -6.990 1.00 0.00 C ATOM 0 H ALA A 37 -0.022 -8.254 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 37 2.205 -8.949 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.767 -6.999 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.433 -6.618 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.424 -5.963 -6.374 1.00 0.00 H new ATOM 533 N MET A 38 1.462 -9.151 -4.393 1.00 0.00 N ATOM 534 CA MET A 38 1.719 -9.473 -2.959 1.00 0.00 C ATOM 535 C MET A 38 1.873 -8.185 -2.144 1.00 0.00 C ATOM 536 O MET A 38 2.401 -8.192 -1.050 1.00 0.00 O ATOM 537 CB MET A 38 3.026 -10.265 -2.960 1.00 0.00 C ATOM 538 CG MET A 38 3.195 -10.976 -1.615 1.00 0.00 C ATOM 539 SD MET A 38 2.072 -12.393 -1.535 1.00 0.00 S ATOM 540 CE MET A 38 3.340 -13.684 -1.511 1.00 0.00 C ATOM 0 H MET A 38 0.641 -9.601 -4.798 1.00 0.00 H new ATOM 0 HA MET A 38 0.900 -10.035 -2.510 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.021 -10.994 -3.770 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.868 -9.596 -3.138 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.226 -11.308 -1.495 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.985 -10.286 -0.798 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.862 -14.662 -1.462 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.942 -13.619 -2.417 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.980 -13.549 -0.639 1.00 0.00 H new ATOM 550 N SER A 39 1.413 -7.080 -2.666 1.00 0.00 N ATOM 551 CA SER A 39 1.531 -5.795 -1.919 1.00 0.00 C ATOM 552 C SER A 39 0.195 -5.050 -1.946 1.00 0.00 C ATOM 553 O SER A 39 -0.503 -5.046 -2.940 1.00 0.00 O ATOM 554 CB SER A 39 2.603 -4.997 -2.661 1.00 0.00 C ATOM 555 OG SER A 39 3.777 -5.789 -2.788 1.00 0.00 O ATOM 0 H SER A 39 0.961 -7.012 -3.578 1.00 0.00 H new ATOM 0 HA SER A 39 1.793 -5.948 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.239 -4.706 -3.646 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.828 -4.078 -2.120 1.00 0.00 H new ATOM 0 HG SER A 39 3.645 -6.459 -3.491 1.00 0.00 H new ATOM 561 N CYS A 40 -0.167 -4.422 -0.862 1.00 0.00 N ATOM 562 CA CYS A 40 -1.461 -3.682 -0.829 1.00 0.00 C ATOM 563 C CYS A 40 -1.341 -2.368 -1.603 1.00 0.00 C ATOM 564 O CYS A 40 -0.340 -1.683 -1.537 1.00 0.00 O ATOM 565 CB CYS A 40 -1.725 -3.406 0.652 1.00 0.00 C ATOM 566 SG CYS A 40 -3.501 -3.171 0.914 1.00 0.00 S ATOM 0 H CYS A 40 0.375 -4.389 0.001 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.270 -4.250 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.364 -4.237 1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.179 -2.518 0.971 1.00 0.00 H new ATOM 571 N TYR A 41 -2.359 -2.010 -2.334 1.00 0.00 N ATOM 572 CA TYR A 41 -2.314 -0.740 -3.111 1.00 0.00 C ATOM 573 C TYR A 41 -3.650 -0.007 -2.978 1.00 0.00 C ATOM 574 O TYR A 41 -4.704 -0.582 -3.161 1.00 0.00 O ATOM 575 CB TYR A 41 -2.075 -1.167 -4.560 1.00 0.00 C ATOM 576 CG TYR A 41 -1.690 0.037 -5.387 1.00 0.00 C ATOM 577 CD1 TYR A 41 -0.380 0.529 -5.341 1.00 0.00 C ATOM 578 CD2 TYR A 41 -2.644 0.659 -6.201 1.00 0.00 C ATOM 579 CE1 TYR A 41 -0.025 1.644 -6.109 1.00 0.00 C ATOM 580 CE2 TYR A 41 -2.288 1.774 -6.969 1.00 0.00 C ATOM 581 CZ TYR A 41 -0.979 2.266 -6.924 1.00 0.00 C ATOM 582 OH TYR A 41 -0.629 3.366 -7.679 1.00 0.00 O ATOM 0 H TYR A 41 -3.223 -2.544 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.537 -0.062 -2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.286 -1.918 -4.603 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.975 -1.627 -4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.356 0.049 -4.713 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.654 0.279 -6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.985 2.025 -6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.024 2.255 -7.596 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.176 3.393 -8.492 1.00 0.00 H new ATOM 592 N CYS A 42 -3.618 1.256 -2.655 1.00 0.00 N ATOM 593 CA CYS A 42 -4.892 2.013 -2.506 1.00 0.00 C ATOM 594 C CYS A 42 -5.022 3.064 -3.609 1.00 0.00 C ATOM 595 O CYS A 42 -4.068 3.726 -3.970 1.00 0.00 O ATOM 596 CB CYS A 42 -4.800 2.677 -1.133 1.00 0.00 C ATOM 597 SG CYS A 42 -4.367 1.430 0.103 1.00 0.00 S ATOM 0 H CYS A 42 -2.768 1.795 -2.488 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.766 1.367 -2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.050 3.468 -1.148 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.751 3.145 -0.878 1.00 0.00 H new ATOM 602 N GLU A 43 -6.200 3.220 -4.144 1.00 0.00 N ATOM 603 CA GLU A 43 -6.405 4.225 -5.224 1.00 0.00 C ATOM 604 C GLU A 43 -7.221 5.406 -4.691 1.00 0.00 C ATOM 605 O GLU A 43 -8.436 5.381 -4.691 1.00 0.00 O ATOM 606 CB GLU A 43 -7.184 3.478 -6.308 1.00 0.00 C ATOM 607 CG GLU A 43 -7.067 4.227 -7.637 1.00 0.00 C ATOM 608 CD GLU A 43 -8.447 4.723 -8.068 1.00 0.00 C ATOM 609 OE1 GLU A 43 -9.011 5.537 -7.357 1.00 0.00 O ATOM 610 OE2 GLU A 43 -8.916 4.280 -9.104 1.00 0.00 O ATOM 0 H GLU A 43 -7.032 2.693 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.467 4.631 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.796 2.465 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.232 3.389 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.383 5.069 -7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.650 3.570 -8.401 1.00 0.00 H new ATOM 617 N GLY A 44 -6.566 6.443 -4.240 1.00 0.00 N ATOM 618 CA GLY A 44 -7.319 7.619 -3.716 1.00 0.00 C ATOM 619 C GLY A 44 -6.603 8.233 -2.504 1.00 0.00 C ATOM 620 O GLY A 44 -7.076 9.191 -1.925 1.00 0.00 O ATOM 0 H GLY A 44 -5.550 6.526 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.422 8.369 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.326 7.314 -3.432 1.00 0.00 H new ATOM 624 N LEU A 45 -5.473 7.708 -2.110 1.00 0.00 N ATOM 625 CA LEU A 45 -4.761 8.293 -0.939 1.00 0.00 C ATOM 626 C LEU A 45 -4.474 9.776 -1.187 1.00 0.00 C ATOM 627 O LEU A 45 -4.556 10.248 -2.303 1.00 0.00 O ATOM 628 CB LEU A 45 -3.457 7.503 -0.833 1.00 0.00 C ATOM 629 CG LEU A 45 -3.771 6.036 -0.535 1.00 0.00 C ATOM 630 CD1 LEU A 45 -2.485 5.320 -0.127 1.00 0.00 C ATOM 631 CD2 LEU A 45 -4.786 5.951 0.608 1.00 0.00 C ATOM 0 H LEU A 45 -5.016 6.906 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.348 8.231 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.894 7.584 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.831 7.919 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.188 5.564 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.703 4.274 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.761 5.381 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.072 5.794 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.009 4.905 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.370 6.421 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.702 6.466 0.320 1.00 0.00 H new ATOM 643 N PRO A 46 -4.144 10.462 -0.130 1.00 0.00 N ATOM 644 CA PRO A 46 -3.840 11.910 -0.225 1.00 0.00 C ATOM 645 C PRO A 46 -2.502 12.128 -0.938 1.00 0.00 C ATOM 646 O PRO A 46 -1.690 11.231 -1.046 1.00 0.00 O ATOM 647 CB PRO A 46 -3.774 12.359 1.233 1.00 0.00 C ATOM 648 CG PRO A 46 -3.444 11.122 2.005 1.00 0.00 C ATOM 649 CD PRO A 46 -4.023 9.959 1.241 1.00 0.00 C ATOM 0 HA PRO A 46 -4.578 12.470 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.014 13.127 1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.723 12.785 1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.365 11.012 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.864 11.171 3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.373 9.086 1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.991 9.659 1.643 1.00 0.00 H new ATOM 657 N GLU A 47 -2.274 13.312 -1.434 1.00 0.00 N ATOM 658 CA GLU A 47 -0.999 13.593 -2.152 1.00 0.00 C ATOM 659 C GLU A 47 0.208 13.331 -1.244 1.00 0.00 C ATOM 660 O GLU A 47 1.321 13.178 -1.707 1.00 0.00 O ATOM 661 CB GLU A 47 -1.085 15.073 -2.521 1.00 0.00 C ATOM 662 CG GLU A 47 0.248 15.535 -3.111 1.00 0.00 C ATOM 663 CD GLU A 47 0.315 15.147 -4.589 1.00 0.00 C ATOM 664 OE1 GLU A 47 0.768 14.051 -4.874 1.00 0.00 O ATOM 665 OE2 GLU A 47 -0.089 15.953 -5.411 1.00 0.00 O ATOM 0 H GLU A 47 -2.918 14.100 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.868 12.954 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.887 15.232 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.327 15.664 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.351 16.615 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.076 15.080 -2.567 1.00 0.00 H new ATOM 672 N ASN A 48 0.002 13.281 0.043 1.00 0.00 N ATOM 673 CA ASN A 48 1.145 13.034 0.967 1.00 0.00 C ATOM 674 C ASN A 48 0.887 11.791 1.823 1.00 0.00 C ATOM 675 O ASN A 48 1.351 11.693 2.942 1.00 0.00 O ATOM 676 CB ASN A 48 1.216 14.283 1.846 1.00 0.00 C ATOM 677 CG ASN A 48 0.029 14.296 2.811 1.00 0.00 C ATOM 678 OD1 ASN A 48 0.061 13.648 3.838 1.00 0.00 O ATOM 679 ND2 ASN A 48 -1.024 15.012 2.523 1.00 0.00 N ATOM 0 H ASN A 48 -0.905 13.400 0.494 1.00 0.00 H new ATOM 0 HA ASN A 48 2.076 12.855 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.152 14.295 2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.203 15.179 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.820 15.027 3.160 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.051 15.556 1.661 1.00 0.00 H new ATOM 686 N ALA A 49 0.156 10.837 1.311 1.00 0.00 N ATOM 687 CA ALA A 49 -0.117 9.607 2.106 1.00 0.00 C ATOM 688 C ALA A 49 1.192 8.876 2.398 1.00 0.00 C ATOM 689 O ALA A 49 2.165 9.021 1.685 1.00 0.00 O ATOM 690 CB ALA A 49 -1.021 8.749 1.223 1.00 0.00 C ATOM 0 H ALA A 49 -0.262 10.857 0.381 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.584 9.831 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.265 7.823 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.939 9.295 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.505 8.516 0.291 1.00 0.00 H new ATOM 696 N LYS A 50 1.223 8.089 3.436 1.00 0.00 N ATOM 697 CA LYS A 50 2.473 7.347 3.768 1.00 0.00 C ATOM 698 C LYS A 50 2.549 6.059 2.946 1.00 0.00 C ATOM 699 O LYS A 50 2.275 4.982 3.437 1.00 0.00 O ATOM 700 CB LYS A 50 2.367 7.024 5.259 1.00 0.00 C ATOM 701 CG LYS A 50 3.765 6.764 5.826 1.00 0.00 C ATOM 702 CD LYS A 50 3.695 5.644 6.865 1.00 0.00 C ATOM 703 CE LYS A 50 5.045 5.529 7.585 1.00 0.00 C ATOM 704 NZ LYS A 50 4.772 5.875 9.011 1.00 0.00 N ATOM 0 H LYS A 50 0.439 7.927 4.068 1.00 0.00 H new ATOM 0 HA LYS A 50 3.368 7.927 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.896 7.852 5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.734 6.149 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.449 6.487 5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.159 7.673 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.903 5.850 7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.447 4.699 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.451 4.521 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.779 6.207 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.667 5.898 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.316 6.808 9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.142 5.160 9.427 1.00 0.00 H new ATOM 718 N VAL A 51 2.915 6.160 1.698 1.00 0.00 N ATOM 719 CA VAL A 51 3.000 4.938 0.851 1.00 0.00 C ATOM 720 C VAL A 51 4.363 4.857 0.162 1.00 0.00 C ATOM 721 O VAL A 51 5.137 5.794 0.175 1.00 0.00 O ATOM 722 CB VAL A 51 1.890 5.095 -0.186 1.00 0.00 C ATOM 723 CG1 VAL A 51 0.536 4.852 0.479 1.00 0.00 C ATOM 724 CG2 VAL A 51 1.929 6.513 -0.761 1.00 0.00 C ATOM 0 H VAL A 51 3.158 7.033 1.230 1.00 0.00 H new ATOM 0 HA VAL A 51 2.888 4.027 1.438 1.00 0.00 H new ATOM 0 HB VAL A 51 2.036 4.372 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.258 4.964 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.509 3.843 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.389 5.576 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.137 6.627 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.782 7.235 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.896 6.688 -1.233 1.00 0.00 H new ATOM 734 N SER A 52 4.657 3.741 -0.445 1.00 0.00 N ATOM 735 CA SER A 52 5.963 3.591 -1.142 1.00 0.00 C ATOM 736 C SER A 52 5.836 4.038 -2.600 1.00 0.00 C ATOM 737 O SER A 52 4.910 3.665 -3.294 1.00 0.00 O ATOM 738 CB SER A 52 6.278 2.099 -1.066 1.00 0.00 C ATOM 739 OG SER A 52 7.661 1.897 -1.321 1.00 0.00 O ATOM 0 H SER A 52 4.047 2.925 -0.488 1.00 0.00 H new ATOM 0 HA SER A 52 6.747 4.198 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.018 1.710 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.679 1.552 -1.794 1.00 0.00 H new ATOM 0 HG SER A 52 7.778 1.098 -1.877 1.00 0.00 H new ATOM 745 N ASP A 53 6.758 4.829 -3.072 1.00 0.00 N ATOM 746 CA ASP A 53 6.687 5.289 -4.488 1.00 0.00 C ATOM 747 C ASP A 53 7.771 4.592 -5.313 1.00 0.00 C ATOM 748 O ASP A 53 8.134 5.034 -6.385 1.00 0.00 O ATOM 749 CB ASP A 53 6.927 6.802 -4.430 1.00 0.00 C ATOM 750 CG ASP A 53 8.423 7.088 -4.270 1.00 0.00 C ATOM 751 OD1 ASP A 53 8.918 6.947 -3.165 1.00 0.00 O ATOM 752 OD2 ASP A 53 9.046 7.444 -5.257 1.00 0.00 O ATOM 0 H ASP A 53 7.556 5.177 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 53 5.732 5.056 -4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.553 7.273 -5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.374 7.235 -3.596 1.00 0.00 H new ATOM 757 N SER A 54 8.289 3.504 -4.814 1.00 0.00 N ATOM 758 CA SER A 54 9.350 2.771 -5.558 1.00 0.00 C ATOM 759 C SER A 54 8.897 1.337 -5.842 1.00 0.00 C ATOM 760 O SER A 54 8.972 0.472 -4.993 1.00 0.00 O ATOM 761 CB SER A 54 10.557 2.774 -4.622 1.00 0.00 C ATOM 762 OG SER A 54 10.256 1.998 -3.469 1.00 0.00 O ATOM 0 H SER A 54 8.022 3.090 -3.921 1.00 0.00 H new ATOM 0 HA SER A 54 9.577 3.230 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 54 11.429 2.366 -5.132 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.806 3.795 -4.333 1.00 0.00 H new ATOM 0 HG SER A 54 9.434 1.487 -3.624 1.00 0.00 H new ATOM 768 N ALA A 55 8.426 1.080 -7.030 1.00 0.00 N ATOM 769 CA ALA A 55 7.969 -0.297 -7.367 1.00 0.00 C ATOM 770 C ALA A 55 9.145 -1.276 -7.314 1.00 0.00 C ATOM 771 O ALA A 55 8.969 -2.476 -7.384 1.00 0.00 O ATOM 772 CB ALA A 55 7.421 -0.193 -8.790 1.00 0.00 C ATOM 0 H ALA A 55 8.338 1.763 -7.782 1.00 0.00 H new ATOM 0 HA ALA A 55 7.220 -0.666 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.063 -1.170 -9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.598 0.521 -8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.211 0.144 -9.461 1.00 0.00 H new ATOM 778 N THR A 56 10.344 -0.775 -7.194 1.00 0.00 N ATOM 779 CA THR A 56 11.526 -1.682 -7.141 1.00 0.00 C ATOM 780 C THR A 56 12.321 -1.451 -5.851 1.00 0.00 C ATOM 781 O THR A 56 13.389 -0.871 -5.865 1.00 0.00 O ATOM 782 CB THR A 56 12.361 -1.309 -8.367 1.00 0.00 C ATOM 783 OG1 THR A 56 11.646 -1.651 -9.546 1.00 0.00 O ATOM 784 CG2 THR A 56 13.688 -2.069 -8.334 1.00 0.00 C ATOM 0 H THR A 56 10.556 0.221 -7.130 1.00 0.00 H new ATOM 0 HA THR A 56 11.241 -2.734 -7.146 1.00 0.00 H new ATOM 0 HB THR A 56 12.559 -0.237 -8.360 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.179 -1.411 -10.333 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.282 -1.802 -9.208 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.236 -1.806 -7.429 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.493 -3.141 -8.341 1.00 0.00 H new ATOM 792 N ASN A 57 11.810 -1.904 -4.737 1.00 0.00 N ATOM 793 CA ASN A 57 12.539 -1.714 -3.448 1.00 0.00 C ATOM 794 C ASN A 57 12.235 -2.872 -2.491 1.00 0.00 C ATOM 795 O ASN A 57 11.111 -3.321 -2.382 1.00 0.00 O ATOM 796 CB ASN A 57 12.011 -0.395 -2.880 1.00 0.00 C ATOM 797 CG ASN A 57 10.572 -0.583 -2.393 1.00 0.00 C ATOM 798 OD1 ASN A 57 9.820 -1.346 -2.967 1.00 0.00 O ATOM 799 ND2 ASN A 57 10.156 0.084 -1.352 1.00 0.00 N ATOM 0 H ASN A 57 10.920 -2.397 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 57 13.620 -1.692 -3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.644 -0.063 -2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.048 0.382 -3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.199 -0.035 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.788 0.724 -0.871 1.00 0.00 H new ATOM 806 N ILE A 58 13.230 -3.361 -1.799 1.00 0.00 N ATOM 807 CA ILE A 58 12.998 -4.492 -0.853 1.00 0.00 C ATOM 808 C ILE A 58 13.788 -4.278 0.442 1.00 0.00 C ATOM 809 O ILE A 58 15.002 -4.236 0.441 1.00 0.00 O ATOM 810 CB ILE A 58 13.505 -5.733 -1.588 1.00 0.00 C ATOM 811 CG1 ILE A 58 13.111 -6.987 -0.804 1.00 0.00 C ATOM 812 CG2 ILE A 58 15.028 -5.670 -1.707 1.00 0.00 C ATOM 813 CD1 ILE A 58 12.083 -7.788 -1.604 1.00 0.00 C ATOM 0 H ILE A 58 14.192 -3.027 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 58 11.949 -4.582 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 58 13.062 -5.770 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.992 -7.598 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.696 -6.708 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 58 15.389 -6.555 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 58 15.313 -4.777 -2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 58 15.470 -5.633 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.803 -8.681 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.198 -7.175 -1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.514 -8.080 -2.562 1.00 0.00 H new ATOM 825 N CYS A 59 13.107 -4.147 1.548 1.00 0.00 N ATOM 826 CA CYS A 59 13.819 -3.942 2.844 1.00 0.00 C ATOM 827 C CYS A 59 13.917 -5.266 3.608 1.00 0.00 C ATOM 828 O CYS A 59 12.977 -5.696 4.246 1.00 0.00 O ATOM 829 CB CYS A 59 12.963 -2.939 3.621 1.00 0.00 C ATOM 830 SG CYS A 59 11.281 -3.583 3.798 1.00 0.00 S ATOM 0 H CYS A 59 12.089 -4.173 1.611 1.00 0.00 H new ATOM 0 HA CYS A 59 14.837 -3.579 2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.399 -2.758 4.604 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.944 -1.982 3.100 1.00 0.00 H new ATOM 835 N GLY A 60 15.048 -5.914 3.548 1.00 0.00 N ATOM 836 CA GLY A 60 15.204 -7.208 4.272 1.00 0.00 C ATOM 837 C GLY A 60 16.689 -7.555 4.390 1.00 0.00 C ATOM 838 O GLY A 60 17.444 -7.146 3.523 1.00 0.00 O ATOM 839 OXT GLY A 60 17.047 -8.224 5.346 1.00 0.00 O ATOM 0 H GLY A 60 15.870 -5.604 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.757 -7.138 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.676 -8.000 3.740 1.00 0.00 H new TER 843 GLY A 60